data_15451 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15451 _Entry.Title ; GABPa OST domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-08-31 _Entry.Accession_date 2007-08-31 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hyun-Seo Kang . . . 15451 2 Mary Nelson . L. . 15451 3 Cameron Mackereth . D. . 15451 4 Manuela Schaerpf . . . 15451 5 Barbara Graves . J. . 15451 6 Lawrence McIntosh . P. . 15451 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15451 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of British Columbia' . 15451 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'GA-binding protein' . 15451 'NMR ensemble' . 15451 OST . 15451 'transcription factor' . 15451 ubiquitin . 15451 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15451 coupling_constants 1 15451 heteronucl_NOEs 1 15451 heteronucl_T1_relaxation 1 15451 heteronucl_T2_relaxation 1 15451 order_parameters 1 15451 RDCs 1 15451 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 397 15451 '15N chemical shifts' 98 15451 '1H chemical shifts' 628 15451 'coupling constants' 57 15451 'heteronuclear NOE values' 77 15451 'order parameters' 77 15451 'residual dipolar couplings' 50 15451 'T1 relaxation values' 78 15451 'T2 relaxation values' 78 15451 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-03-28 2011-03-28 update BMRB 'added Tau e, f, and s units tags with values of s' 15451 1 . . 2008-07-28 2007-08-01 original author . 15451 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JUO 'BMRB Entry Tracking System' 15451 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15451 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18295234 _Citation.Full_citation . _Citation.Title 'Identification and structural characterization of a CBP/p300-binding domain from the ETS family transcription factor GABP alpha' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 377 _Citation.Journal_issue 3 _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 636 _Citation.Page_last 646 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Hyun-Seo Kang . . . 15451 1 2 Mary Nelson . L. . 15451 1 3 Cameron Mackereth . D. . 15451 1 4 Manuela Schaerpf . . . 15451 1 5 Barbara Graves . J. . 15451 1 6 Lawrence McIntosh . P. . 15451 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Ets transcription factor' 15451 1 GABP 15451 1 'NMR ENSEMBLE' 15451 1 OST 15451 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15451 _Assembly.ID 1 _Assembly.Name 'OST domain in GABP alpha' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 OST_(On-SighT) 1 $OST_(On-SighT) A . yes native no no . . . 15451 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_OST_(On-SighT) _Entity.Sf_category entity _Entity.Sf_framecode OST_(On-SighT) _Entity.Entry_ID 15451 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name OST_(On-SighT) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAECVSQAIDINEPIGNLKK LLEPRLQCSLDAHEICLQDI QLDPDRSLFDQGVKTDGTVQ LSVQVISYQGMEPKLNILEI VKTAETVEW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 34,M _Entity.Polymer_author_seq_details 'residues 34-121 from murine GABPa plus C-terminal Trp' _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9979.494 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JUO . "Gabpa Ost Domain" . . . . . 100.00 89 100.00 100.00 1.34e-56 . . . . 15451 1 2 no DBJ BAE24181 . "unnamed protein product [Mus musculus]" . . . . . 97.75 454 100.00 100.00 1.07e-50 . . . . 15451 1 3 no DBJ BAE26442 . "unnamed protein product [Mus musculus]" . . . . . 97.75 454 100.00 100.00 1.07e-50 . . . . 15451 1 4 no DBJ BAE26687 . "unnamed protein product [Mus musculus]" . . . . . 97.75 454 100.00 100.00 1.07e-50 . . . . 15451 1 5 no DBJ BAE28337 . "unnamed protein product [Mus musculus]" . . . . . 97.75 454 100.00 100.00 1.07e-50 . . . . 15451 1 6 no DBJ BAE29575 . "unnamed protein product [Mus musculus]" . . . . . 97.75 454 100.00 100.00 1.07e-50 . . . . 15451 1 7 no GB AAA53030 . "GA binding protein [Mus musculus]" . . . . . 97.75 454 100.00 100.00 1.01e-50 . . . . 15451 1 8 no GB AAH52448 . "GA repeat binding protein, alpha [Mus musculus]" . . . . . 97.75 454 100.00 100.00 1.07e-50 . . . . 15451 1 9 no GB AAO27832 . "GA-binding protein alpha-subunit [Mus musculus]" . . . . . 97.75 454 100.00 100.00 1.01e-50 . . . . 15451 1 10 no GB EDK98317 . "GA repeat binding protein, alpha [Mus musculus]" . . . . . 97.75 454 100.00 100.00 1.07e-50 . . . . 15451 1 11 no GB EDM10625 . "GA repeat binding protein, alpha (predicted) [Rattus norvegicus]" . . . . . 97.75 454 98.85 100.00 4.92e-50 . . . . 15451 1 12 no REF NP_001102311 . "GA-binding protein alpha chain [Rattus norvegicus]" . . . . . 97.75 454 98.85 100.00 4.92e-50 . . . . 15451 1 13 no REF NP_032091 . "GA-binding protein alpha chain [Mus musculus]" . . . . . 97.75 454 100.00 100.00 1.07e-50 . . . . 15451 1 14 no REF XP_001363875 . "PREDICTED: GA-binding protein alpha chain isoform X1 [Monodelphis domestica]" . . . . . 97.75 456 97.70 98.85 5.44e-49 . . . . 15451 1 15 no REF XP_002716818 . "PREDICTED: GA-binding protein alpha chain [Oryctolagus cuniculus]" . . . . . 97.75 454 97.70 100.00 1.79e-49 . . . . 15451 1 16 no REF XP_003467234 . "PREDICTED: GA-binding protein alpha chain [Cavia porcellus]" . . . . . 97.75 454 97.70 100.00 2.09e-49 . . . . 15451 1 17 no SP Q00422 . "RecName: Full=GA-binding protein alpha chain; Short=GABP subunit alpha" . . . . . 97.75 454 100.00 100.00 1.07e-50 . . . . 15451 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Transcription factor' 15451 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 34 MET . 15451 1 2 35 ALA . 15451 1 3 36 GLU . 15451 1 4 37 CYS . 15451 1 5 38 VAL . 15451 1 6 39 SER . 15451 1 7 40 GLN . 15451 1 8 41 ALA . 15451 1 9 42 ILE . 15451 1 10 43 ASP . 15451 1 11 44 ILE . 15451 1 12 45 ASN . 15451 1 13 46 GLU . 15451 1 14 47 PRO . 15451 1 15 48 ILE . 15451 1 16 49 GLY . 15451 1 17 50 ASN . 15451 1 18 51 LEU . 15451 1 19 52 LYS . 15451 1 20 53 LYS . 15451 1 21 54 LEU . 15451 1 22 55 LEU . 15451 1 23 56 GLU . 15451 1 24 57 PRO . 15451 1 25 58 ARG . 15451 1 26 59 LEU . 15451 1 27 60 GLN . 15451 1 28 61 CYS . 15451 1 29 62 SER . 15451 1 30 63 LEU . 15451 1 31 64 ASP . 15451 1 32 65 ALA . 15451 1 33 66 HIS . 15451 1 34 67 GLU . 15451 1 35 68 ILE . 15451 1 36 69 CYS . 15451 1 37 70 LEU . 15451 1 38 71 GLN . 15451 1 39 72 ASP . 15451 1 40 73 ILE . 15451 1 41 74 GLN . 15451 1 42 75 LEU . 15451 1 43 76 ASP . 15451 1 44 77 PRO . 15451 1 45 78 ASP . 15451 1 46 79 ARG . 15451 1 47 80 SER . 15451 1 48 81 LEU . 15451 1 49 82 PHE . 15451 1 50 83 ASP . 15451 1 51 84 GLN . 15451 1 52 85 GLY . 15451 1 53 86 VAL . 15451 1 54 87 LYS . 15451 1 55 88 THR . 15451 1 56 89 ASP . 15451 1 57 90 GLY . 15451 1 58 91 THR . 15451 1 59 92 VAL . 15451 1 60 93 GLN . 15451 1 61 94 LEU . 15451 1 62 95 SER . 15451 1 63 96 VAL . 15451 1 64 97 GLN . 15451 1 65 98 VAL . 15451 1 66 99 ILE . 15451 1 67 100 SER . 15451 1 68 101 TYR . 15451 1 69 102 GLN . 15451 1 70 103 GLY . 15451 1 71 104 MET . 15451 1 72 105 GLU . 15451 1 73 106 PRO . 15451 1 74 107 LYS . 15451 1 75 108 LEU . 15451 1 76 109 ASN . 15451 1 77 110 ILE . 15451 1 78 111 LEU . 15451 1 79 112 GLU . 15451 1 80 113 ILE . 15451 1 81 114 VAL . 15451 1 82 115 LYS . 15451 1 83 116 THR . 15451 1 84 117 ALA . 15451 1 85 118 GLU . 15451 1 86 119 THR . 15451 1 87 120 VAL . 15451 1 88 121 GLU . 15451 1 89 122 TRP . 15451 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 15451 1 . ALA 2 2 15451 1 . GLU 3 3 15451 1 . CYS 4 4 15451 1 . VAL 5 5 15451 1 . SER 6 6 15451 1 . GLN 7 7 15451 1 . ALA 8 8 15451 1 . ILE 9 9 15451 1 . ASP 10 10 15451 1 . ILE 11 11 15451 1 . ASN 12 12 15451 1 . GLU 13 13 15451 1 . PRO 14 14 15451 1 . ILE 15 15 15451 1 . GLY 16 16 15451 1 . ASN 17 17 15451 1 . LEU 18 18 15451 1 . LYS 19 19 15451 1 . LYS 20 20 15451 1 . LEU 21 21 15451 1 . LEU 22 22 15451 1 . GLU 23 23 15451 1 . PRO 24 24 15451 1 . ARG 25 25 15451 1 . LEU 26 26 15451 1 . GLN 27 27 15451 1 . CYS 28 28 15451 1 . SER 29 29 15451 1 . LEU 30 30 15451 1 . ASP 31 31 15451 1 . ALA 32 32 15451 1 . HIS 33 33 15451 1 . GLU 34 34 15451 1 . ILE 35 35 15451 1 . CYS 36 36 15451 1 . LEU 37 37 15451 1 . GLN 38 38 15451 1 . ASP 39 39 15451 1 . ILE 40 40 15451 1 . GLN 41 41 15451 1 . LEU 42 42 15451 1 . ASP 43 43 15451 1 . PRO 44 44 15451 1 . ASP 45 45 15451 1 . ARG 46 46 15451 1 . SER 47 47 15451 1 . LEU 48 48 15451 1 . PHE 49 49 15451 1 . ASP 50 50 15451 1 . GLN 51 51 15451 1 . GLY 52 52 15451 1 . VAL 53 53 15451 1 . LYS 54 54 15451 1 . THR 55 55 15451 1 . ASP 56 56 15451 1 . GLY 57 57 15451 1 . THR 58 58 15451 1 . VAL 59 59 15451 1 . GLN 60 60 15451 1 . LEU 61 61 15451 1 . SER 62 62 15451 1 . VAL 63 63 15451 1 . GLN 64 64 15451 1 . VAL 65 65 15451 1 . ILE 66 66 15451 1 . SER 67 67 15451 1 . TYR 68 68 15451 1 . GLN 69 69 15451 1 . GLY 70 70 15451 1 . MET 71 71 15451 1 . GLU 72 72 15451 1 . PRO 73 73 15451 1 . LYS 74 74 15451 1 . LEU 75 75 15451 1 . ASN 76 76 15451 1 . ILE 77 77 15451 1 . LEU 78 78 15451 1 . GLU 79 79 15451 1 . ILE 80 80 15451 1 . VAL 81 81 15451 1 . LYS 82 82 15451 1 . THR 83 83 15451 1 . ALA 84 84 15451 1 . GLU 85 85 15451 1 . THR 86 86 15451 1 . VAL 87 87 15451 1 . GLU 88 88 15451 1 . TRP 89 89 15451 1 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 15451 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $OST_(On-SighT) . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 15451 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 15451 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $OST_(On-SighT) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21DE3 . . . . . . . . . . . . . . . pET28a(+) . . . . . . 15451 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15N_GABPa_OST _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_GABPa_OST _Sample.Entry_ID 15451 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'uniformly 13C/15N labeled GABPa OST' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15451 1 2 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 15451 1 3 'GABPa OST' '[U-100% 13C; U-100% 15N]' . . 1 $OST_(On-SighT) . . 1 . . mM . . . . 15451 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 15451 1 stop_ save_ save_15N_GABPa_OST _Sample.Sf_category sample _Sample.Sf_framecode 15N_GABPa_OST _Sample.Entry_ID 15451 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'uniformly 15N labeled GABPa OST' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15451 2 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15451 2 3 'GABPa OST' '[U-100% 15N]' . . 1 $OST_(On-SighT) . . 1 . . mM . . . . 15451 2 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 15451 2 stop_ save_ save_15N_10%_13C_GABPa_OST _Sample.Sf_category sample _Sample.Sf_framecode 15N_10%_13C_GABPa_OST _Sample.Entry_ID 15451 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10% 13C- and uniformly 15N- labeled GABPa OST' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15451 3 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15451 3 3 'GABPa OST' '[U-10% 13C; U-100% 15N]' . . 1 $OST_(On-SighT) . . 1 . . mM . . . . 15451 3 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 15451 3 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 15451 _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 pH 7.0 . pH 15451 1 temperature 298.0 . K 15451 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 15451 _Software.ID 1 _Software.Name ARIA _Software.Version 1.2 _Software.Details 'CNS version 1.1' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15451 1 'Linge, O'Donoghue and Nilges' . . 15451 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15451 1 refinement 15451 1 'structure solution' 15451 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15451 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.11 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15451 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15451 2 collection 15451 2 'peak picking' 15451 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15451 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15451 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15451 3 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 15451 _Software.ID 4 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 15451 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15451 4 'geometry optimization' 15451 4 'structure solution' 15451 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15451 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15451 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15451 5 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 15451 _Software.ID 6 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15451 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15451 6 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 15451 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'triple resonance gradient probes' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15451 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'triple resonance gradient probes' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15451 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'triple resonance gradient probes' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15451 _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 Varian Unity . 500 'triple resonance gradient probes' . . 15451 1 2 spectrometer_2 Varian INOVA . 600 'triple resonance gradient probes' . . 15451 1 3 spectrometer_3 Varian INOVA . 800 'triple resonance gradient probes' . . 15451 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 15451 _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 . . . . . . . . . . 2 $15N_GABPa_OST isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15451 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $15N_10%_13C_GABPa_OST isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15451 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $13C_15N_GABPa_OST isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15451 1 4 '3D HNCO' no . . . . . . . . . . 1 $13C_15N_GABPa_OST isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15451 1 5 '3D HNCA' no . . . . . . . . . . 1 $13C_15N_GABPa_OST isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15451 1 6 '3D HNCACB' no . . . . . . . . . . 1 $13C_15N_GABPa_OST isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15451 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $15N_GABPa_OST isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15451 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $13C_15N_GABPa_OST isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15451 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $13C_15N_GABPa_OST isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15451 1 10 'simultaneous CN NOESY' no . . . . . . . . . . 1 $13C_15N_GABPa_OST isotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15451 1 11 EZ-HMQC-NH2 no . . . . . . . . . . 1 $13C_15N_GABPa_OST isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15451 1 12 'N-CG spin echo' no . . . . . . . . . . 1 $13C_15N_GABPa_OST isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15451 1 13 'CO-CG spin echo' no . . . . . . . . . . 1 $13C_15N_GABPa_OST isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15451 1 14 '15N IPAP' no . . . . . . . . . . 2 $15N_GABPa_OST anisotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15451 1 15 '3D HNHB' no . . . . . . . . . . 2 $15N_GABPa_OST isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15451 1 16 'T1 T2 HNNOE' no . . . . . . . . . . 2 $15N_GABPa_OST isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15451 1 17 '3D HNHA' no . . . . . . . . . . 2 $15N_GABPa_OST isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15451 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 15451 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 external direct 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15451 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15451 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15451 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 15451 _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' . . . 15451 1 2 '2D 1H-13C HSQC' . . . 15451 1 3 '3D CBCA(CO)NH' . . . 15451 1 4 '3D HNCO' . . . 15451 1 5 '3D HNCA' . . . 15451 1 6 '3D HNCACB' . . . 15451 1 9 '3D HCCH-TOCSY' . . . 15451 1 10 'simultaneous CN NOESY' . . . 15451 1 11 EZ-HMQC-NH2 . . . 15451 1 12 'N-CG spin echo' . . . 15451 1 13 'CO-CG spin echo' . . . 15451 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.510 0.050 . 1 . . . . 34 MET HA . 15451 1 2 . 1 1 1 1 MET C C 13 175.411 0.300 . 1 . . . . 34 MET CO . 15451 1 3 . 1 1 1 1 MET CA C 13 55.650 0.300 . 1 . . . . 34 MET CA . 15451 1 4 . 1 1 1 1 MET CB C 13 33.211 0.300 . 1 . . . . 34 MET CB . 15451 1 5 . 1 1 2 2 ALA H H 1 8.306 0.050 . 1 . . . . 35 ALA HN . 15451 1 6 . 1 1 2 2 ALA HA H 1 4.534 0.050 . 1 . . . . 35 ALA HA . 15451 1 7 . 1 1 2 2 ALA HB1 H 1 1.462 0.050 . 1 . . . . 35 ALA HB . 15451 1 8 . 1 1 2 2 ALA HB2 H 1 1.462 0.050 . 1 . . . . 35 ALA HB . 15451 1 9 . 1 1 2 2 ALA HB3 H 1 1.462 0.050 . 1 . . . . 35 ALA HB . 15451 1 10 . 1 1 2 2 ALA C C 13 177.148 0.300 . 1 . . . . 35 ALA CO . 15451 1 11 . 1 1 2 2 ALA CA C 13 52.614 0.300 . 1 . . . . 35 ALA CA . 15451 1 12 . 1 1 2 2 ALA CB C 13 19.875 0.300 . 1 . . . . 35 ALA CB . 15451 1 13 . 1 1 2 2 ALA N N 15 125.052 0.500 . 1 . . . . 35 ALA N . 15451 1 14 . 1 1 3 3 GLU H H 1 8.442 0.050 . 1 . . . . 36 GLU HN . 15451 1 15 . 1 1 3 3 GLU HA H 1 4.470 0.050 . 1 . . . . 36 GLU HA . 15451 1 16 . 1 1 3 3 GLU HB2 H 1 2.082 0.050 . 1 . . . . 36 GLU HB2 . 15451 1 17 . 1 1 3 3 GLU HB3 H 1 2.183 0.050 . 1 . . . . 36 GLU HB3 . 15451 1 18 . 1 1 3 3 GLU HG2 H 1 2.348 0.050 . 2 . . . . 36 GLU HG . 15451 1 19 . 1 1 3 3 GLU HG3 H 1 2.348 0.050 . 2 . . . . 36 GLU HG . 15451 1 20 . 1 1 3 3 GLU C C 13 175.826 0.300 . 1 . . . . 36 GLU CO . 15451 1 21 . 1 1 3 3 GLU CA C 13 56.539 0.300 . 1 . . . . 36 GLU CA . 15451 1 22 . 1 1 3 3 GLU CB C 13 31.058 0.300 . 1 . . . . 36 GLU CB . 15451 1 23 . 1 1 3 3 GLU CG C 13 36.419 0.300 . 1 . . . . 36 GLU CG . 15451 1 24 . 1 1 3 3 GLU N N 15 120.338 0.500 . 1 . . . . 36 GLU N . 15451 1 25 . 1 1 4 4 CYS H H 1 8.367 0.050 . 1 . . . . 37 CYS HN . 15451 1 26 . 1 1 4 4 CYS HA H 1 5.333 0.050 . 1 . . . . 37 CYS HA . 15451 1 27 . 1 1 4 4 CYS HB2 H 1 2.822 0.050 . 2 . . . . 37 CYS HB . 15451 1 28 . 1 1 4 4 CYS HB3 H 1 2.822 0.050 . 2 . . . . 37 CYS HB . 15451 1 29 . 1 1 4 4 CYS C C 13 174.405 0.300 . 1 . . . . 37 CYS CO . 15451 1 30 . 1 1 4 4 CYS CA C 13 58.215 0.300 . 1 . . . . 37 CYS CA . 15451 1 31 . 1 1 4 4 CYS CB C 13 29.404 0.300 . 1 . . . . 37 CYS CB . 15451 1 32 . 1 1 4 4 CYS N N 15 120.066 0.500 . 1 . . . . 37 CYS N . 15451 1 33 . 1 1 5 5 VAL H H 1 9.162 0.050 . 1 . . . . 38 VAL HN . 15451 1 34 . 1 1 5 5 VAL HA H 1 4.594 0.050 . 1 . . . . 38 VAL HA . 15451 1 35 . 1 1 5 5 VAL HB H 1 2.086 0.050 . 1 . . . . 38 VAL HB . 15451 1 36 . 1 1 5 5 VAL HG11 H 1 0.921 0.050 . 2 . . . . 38 VAL HG1 . 15451 1 37 . 1 1 5 5 VAL HG12 H 1 0.921 0.050 . 2 . . . . 38 VAL HG1 . 15451 1 38 . 1 1 5 5 VAL HG13 H 1 0.921 0.050 . 2 . . . . 38 VAL HG1 . 15451 1 39 . 1 1 5 5 VAL HG21 H 1 0.944 0.050 . 2 . . . . 38 VAL HG2 . 15451 1 40 . 1 1 5 5 VAL HG22 H 1 0.944 0.050 . 2 . . . . 38 VAL HG2 . 15451 1 41 . 1 1 5 5 VAL HG23 H 1 0.944 0.050 . 2 . . . . 38 VAL HG2 . 15451 1 42 . 1 1 5 5 VAL C C 13 174.004 0.300 . 1 . . . . 38 VAL CO . 15451 1 43 . 1 1 5 5 VAL CA C 13 60.046 0.300 . 1 . . . . 38 VAL CA . 15451 1 44 . 1 1 5 5 VAL CB C 13 35.050 0.300 . 1 . . . . 38 VAL CB . 15451 1 45 . 1 1 5 5 VAL CG1 C 13 20.769 0.300 . 1 . . . . 38 VAL CG1 . 15451 1 46 . 1 1 5 5 VAL CG2 C 13 21.628 0.300 . 1 . . . . 38 VAL CG2 . 15451 1 47 . 1 1 5 5 VAL N N 15 120.929 0.500 . 1 . . . . 38 VAL N . 15451 1 48 . 1 1 6 6 SER H H 1 8.595 0.050 . 1 . . . . 39 SER HN . 15451 1 49 . 1 1 6 6 SER HA H 1 5.813 0.050 . 1 . . . . 39 SER HA . 15451 1 50 . 1 1 6 6 SER HB2 H 1 3.778 0.050 . 2 . . . . 39 SER HB . 15451 1 51 . 1 1 6 6 SER HB3 H 1 3.778 0.050 . 2 . . . . 39 SER HB . 15451 1 52 . 1 1 6 6 SER C C 13 174.925 0.300 . 1 . . . . 39 SER CO . 15451 1 53 . 1 1 6 6 SER CA C 13 56.377 0.300 . 1 . . . . 39 SER CA . 15451 1 54 . 1 1 6 6 SER CB C 13 64.608 0.300 . 1 . . . . 39 SER CB . 15451 1 55 . 1 1 6 6 SER N N 15 119.199 0.500 . 1 . . . . 39 SER N . 15451 1 56 . 1 1 7 7 GLN H H 1 8.961 0.050 . 1 . . . . 40 GLN HN . 15451 1 57 . 1 1 7 7 GLN HA H 1 4.526 0.050 . 1 . . . . 40 GLN HA . 15451 1 58 . 1 1 7 7 GLN HB2 H 1 1.471 0.050 . 2 . . . . 40 GLN HB . 15451 1 59 . 1 1 7 7 GLN HB3 H 1 1.471 0.050 . 2 . . . . 40 GLN HB . 15451 1 60 . 1 1 7 7 GLN HE21 H 1 8.547 0.050 . 1 . . . . 40 GLN HE21 . 15451 1 61 . 1 1 7 7 GLN HE22 H 1 7.232 0.050 . 1 . . . . 40 GLN HE22 . 15451 1 62 . 1 1 7 7 GLN HG2 H 1 2.024 0.050 . 2 . . . . 40 GLN HG . 15451 1 63 . 1 1 7 7 GLN HG3 H 1 2.024 0.050 . 2 . . . . 40 GLN HG . 15451 1 64 . 1 1 7 7 GLN C C 13 173.310 0.300 . 1 . . . . 40 GLN CO . 15451 1 65 . 1 1 7 7 GLN CA C 13 54.549 0.300 . 1 . . . . 40 GLN CA . 15451 1 66 . 1 1 7 7 GLN CB C 13 33.245 0.300 . 1 . . . . 40 GLN CB . 15451 1 67 . 1 1 7 7 GLN CD C 13 177.291 0.300 . 1 . . . . 40 GLN CD . 15451 1 68 . 1 1 7 7 GLN CG C 13 34.038 0.300 . 1 . . . . 40 GLN CG . 15451 1 69 . 1 1 7 7 GLN N N 15 126.308 0.500 . 1 . . . . 40 GLN N . 15451 1 70 . 1 1 7 7 GLN NE2 N 15 118.089 0.500 . 1 . . . . 40 GLN NE2 . 15451 1 71 . 1 1 8 8 ALA H H 1 8.623 0.050 . 1 . . . . 41 ALA HN . 15451 1 72 . 1 1 8 8 ALA HA H 1 5.529 0.050 . 1 . . . . 41 ALA HA . 15451 1 73 . 1 1 8 8 ALA HB1 H 1 1.369 0.050 . 1 . . . . 41 ALA HB . 15451 1 74 . 1 1 8 8 ALA HB2 H 1 1.369 0.050 . 1 . . . . 41 ALA HB . 15451 1 75 . 1 1 8 8 ALA HB3 H 1 1.369 0.050 . 1 . . . . 41 ALA HB . 15451 1 76 . 1 1 8 8 ALA C C 13 177.954 0.300 . 1 . . . . 41 ALA CO . 15451 1 77 . 1 1 8 8 ALA CA C 13 51.713 0.300 . 1 . . . . 41 ALA CA . 15451 1 78 . 1 1 8 8 ALA CB C 13 20.177 0.300 . 1 . . . . 41 ALA CB . 15451 1 79 . 1 1 8 8 ALA N N 15 132.524 0.500 . 1 . . . . 41 ALA N . 15451 1 80 . 1 1 9 9 ILE H H 1 9.202 0.050 . 1 . . . . 42 ILE HN . 15451 1 81 . 1 1 9 9 ILE HA H 1 4.473 0.050 . 1 . . . . 42 ILE HA . 15451 1 82 . 1 1 9 9 ILE HB H 1 1.598 0.050 . 1 . . . . 42 ILE HB . 15451 1 83 . 1 1 9 9 ILE HD11 H 1 0.859 0.050 . 1 . . . . 42 ILE HD1 . 15451 1 84 . 1 1 9 9 ILE HD12 H 1 0.859 0.050 . 1 . . . . 42 ILE HD1 . 15451 1 85 . 1 1 9 9 ILE HD13 H 1 0.859 0.050 . 1 . . . . 42 ILE HD1 . 15451 1 86 . 1 1 9 9 ILE HG12 H 1 1.669 0.050 . 1 . . . . 42 ILE HG12 . 15451 1 87 . 1 1 9 9 ILE HG13 H 1 1.571 0.050 . 1 . . . . 42 ILE HG13 . 15451 1 88 . 1 1 9 9 ILE HG21 H 1 0.742 0.050 . 1 . . . . 42 ILE HG2 . 15451 1 89 . 1 1 9 9 ILE HG22 H 1 0.742 0.050 . 1 . . . . 42 ILE HG2 . 15451 1 90 . 1 1 9 9 ILE HG23 H 1 0.742 0.050 . 1 . . . . 42 ILE HG2 . 15451 1 91 . 1 1 9 9 ILE C C 13 172.041 0.300 . 1 . . . . 42 ILE CO . 15451 1 92 . 1 1 9 9 ILE CA C 13 60.782 0.300 . 1 . . . . 42 ILE CA . 15451 1 93 . 1 1 9 9 ILE CB C 13 43.539 0.300 . 1 . . . . 42 ILE CB . 15451 1 94 . 1 1 9 9 ILE CD1 C 13 15.218 0.300 . 1 . . . . 42 ILE CD1 . 15451 1 95 . 1 1 9 9 ILE CG1 C 13 28.977 0.300 . 1 . . . . 42 ILE CG1 . 15451 1 96 . 1 1 9 9 ILE CG2 C 13 16.006 0.300 . 1 . . . . 42 ILE CG2 . 15451 1 97 . 1 1 9 9 ILE N N 15 121.825 0.500 . 1 . . . . 42 ILE N . 15451 1 98 . 1 1 10 10 ASP H H 1 8.865 0.050 . 1 . . . . 43 ASP HN . 15451 1 99 . 1 1 10 10 ASP HA H 1 4.809 0.050 . 1 . . . . 43 ASP HA . 15451 1 100 . 1 1 10 10 ASP HB2 H 1 2.878 0.050 . 1 . . . . 43 ASP HB2 . 15451 1 101 . 1 1 10 10 ASP HB3 H 1 2.676 0.050 . 1 . . . . 43 ASP HB3 . 15451 1 102 . 1 1 10 10 ASP C C 13 178.575 0.300 . 1 . . . . 43 ASP CO . 15451 1 103 . 1 1 10 10 ASP CA C 13 55.093 0.300 . 1 . . . . 43 ASP CA . 15451 1 104 . 1 1 10 10 ASP CB C 13 43.362 0.300 . 1 . . . . 43 ASP CB . 15451 1 105 . 1 1 10 10 ASP N N 15 126.237 0.500 . 1 . . . . 43 ASP N . 15451 1 106 . 1 1 11 11 ILE H H 1 8.586 0.050 . 1 . . . . 44 ILE HN . 15451 1 107 . 1 1 11 11 ILE HA H 1 4.135 0.050 . 1 . . . . 44 ILE HA . 15451 1 108 . 1 1 11 11 ILE HB H 1 1.975 0.050 . 1 . . . . 44 ILE HB . 15451 1 109 . 1 1 11 11 ILE HD11 H 1 0.945 0.050 . 1 . . . . 44 ILE HD1 . 15451 1 110 . 1 1 11 11 ILE HD12 H 1 0.945 0.050 . 1 . . . . 44 ILE HD1 . 15451 1 111 . 1 1 11 11 ILE HD13 H 1 0.945 0.050 . 1 . . . . 44 ILE HD1 . 15451 1 112 . 1 1 11 11 ILE HG12 H 1 1.977 0.050 . 1 . . . . 44 ILE HG12 . 15451 1 113 . 1 1 11 11 ILE HG13 H 1 1.610 0.050 . 1 . . . . 44 ILE HG13 . 15451 1 114 . 1 1 11 11 ILE HG21 H 1 1.182 0.050 . 1 . . . . 44 ILE HG2 . 15451 1 115 . 1 1 11 11 ILE HG22 H 1 1.182 0.050 . 1 . . . . 44 ILE HG2 . 15451 1 116 . 1 1 11 11 ILE HG23 H 1 1.182 0.050 . 1 . . . . 44 ILE HG2 . 15451 1 117 . 1 1 11 11 ILE C C 13 174.249 0.300 . 1 . . . . 44 ILE CO . 15451 1 118 . 1 1 11 11 ILE CA C 13 61.052 0.300 . 1 . . . . 44 ILE CA . 15451 1 119 . 1 1 11 11 ILE CB C 13 40.121 0.300 . 1 . . . . 44 ILE CB . 15451 1 120 . 1 1 11 11 ILE CD1 C 13 16.427 0.300 . 1 . . . . 44 ILE CD1 . 15451 1 121 . 1 1 11 11 ILE CG1 C 13 28.424 0.300 . 1 . . . . 44 ILE CG1 . 15451 1 122 . 1 1 11 11 ILE CG2 C 13 20.526 0.300 . 1 . . . . 44 ILE CG2 . 15451 1 123 . 1 1 11 11 ILE N N 15 128.141 0.500 . 1 . . . . 44 ILE N . 15451 1 124 . 1 1 12 12 ASN H H 1 8.861 0.050 . 1 . . . . 45 ASN HN . 15451 1 125 . 1 1 12 12 ASN HA H 1 5.066 0.050 . 1 . . . . 45 ASN HA . 15451 1 126 . 1 1 12 12 ASN HB2 H 1 2.715 0.050 . 1 . . . . 45 ASN HB2 . 15451 1 127 . 1 1 12 12 ASN HB3 H 1 2.984 0.050 . 1 . . . . 45 ASN HB3 . 15451 1 128 . 1 1 12 12 ASN HD21 H 1 8.023 0.050 . 1 . . . . 45 ASN HD21 . 15451 1 129 . 1 1 12 12 ASN HD22 H 1 6.629 0.050 . 1 . . . . 45 ASN HD22 . 15451 1 130 . 1 1 12 12 ASN C C 13 175.407 0.300 . 1 . . . . 45 ASN CO . 15451 1 131 . 1 1 12 12 ASN CA C 13 54.262 0.300 . 1 . . . . 45 ASN CA . 15451 1 132 . 1 1 12 12 ASN CB C 13 40.122 0.300 . 1 . . . . 45 ASN CB . 15451 1 133 . 1 1 12 12 ASN CG C 13 177.869 0.300 . 1 . . . . 45 ASN CG . 15451 1 134 . 1 1 12 12 ASN N N 15 116.115 0.500 . 1 . . . . 45 ASN N . 15451 1 135 . 1 1 12 12 ASN ND2 N 15 115.626 0.500 . 1 . . . . 45 ASN ND2 . 15451 1 136 . 1 1 13 13 GLU H H 1 7.695 0.050 . 1 . . . . 46 GLU HN . 15451 1 137 . 1 1 13 13 GLU HA H 1 4.878 0.050 . 1 . . . . 46 GLU HA . 15451 1 138 . 1 1 13 13 GLU CA C 13 54.231 0.300 . 1 . . . . 46 GLU CA . 15451 1 139 . 1 1 13 13 GLU CB C 13 30.967 0.300 . 1 . . . . 46 GLU CB . 15451 1 140 . 1 1 13 13 GLU N N 15 122.608 0.500 . 1 . . . . 46 GLU N . 15451 1 141 . 1 1 14 14 PRO HA H 1 3.588 0.050 . 1 . . . . 47 PRO HA . 15451 1 142 . 1 1 14 14 PRO HB2 H 1 2.160 0.050 . 1 . . . . 47 PRO HB2 . 15451 1 143 . 1 1 14 14 PRO HB3 H 1 2.007 0.050 . 1 . . . . 47 PRO HB3 . 15451 1 144 . 1 1 14 14 PRO HD2 H 1 3.927 0.050 . 1 . . . . 47 PRO HD2 . 15451 1 145 . 1 1 14 14 PRO HD3 H 1 3.713 0.050 . 1 . . . . 47 PRO HD3 . 15451 1 146 . 1 1 14 14 PRO HG2 H 1 2.257 0.050 . 1 . . . . 47 PRO HG2 . 15451 1 147 . 1 1 14 14 PRO HG3 H 1 1.999 0.050 . 1 . . . . 47 PRO HG3 . 15451 1 148 . 1 1 14 14 PRO C C 13 178.680 0.300 . 1 . . . . 47 PRO CO . 15451 1 149 . 1 1 14 14 PRO CA C 13 63.862 0.300 . 1 . . . . 47 PRO CA . 15451 1 150 . 1 1 14 14 PRO CB C 13 31.500 0.300 . 1 . . . . 47 PRO CB . 15451 1 151 . 1 1 14 14 PRO CD C 13 50.153 0.300 . 1 . . . . 47 PRO CD . 15451 1 152 . 1 1 14 14 PRO CG C 13 28.302 0.300 . 1 . . . . 47 PRO CG . 15451 1 153 . 1 1 15 15 ILE H H 1 8.389 0.050 . 1 . . . . 48 ILE HN . 15451 1 154 . 1 1 15 15 ILE HA H 1 4.340 0.050 . 1 . . . . 48 ILE HA . 15451 1 155 . 1 1 15 15 ILE HB H 1 1.900 0.050 . 1 . . . . 48 ILE HB . 15451 1 156 . 1 1 15 15 ILE HD11 H 1 1.184 0.050 . 1 . . . . 48 ILE HD1 . 15451 1 157 . 1 1 15 15 ILE HD12 H 1 1.184 0.050 . 1 . . . . 48 ILE HD1 . 15451 1 158 . 1 1 15 15 ILE HD13 H 1 1.184 0.050 . 1 . . . . 48 ILE HD1 . 15451 1 159 . 1 1 15 15 ILE HG12 H 1 1.592 0.050 . 1 . . . . 48 ILE HG12 . 15451 1 160 . 1 1 15 15 ILE HG13 H 1 1.361 0.050 . 1 . . . . 48 ILE HG13 . 15451 1 161 . 1 1 15 15 ILE HG21 H 1 1.162 0.050 . 1 . . . . 48 ILE HG2 . 15451 1 162 . 1 1 15 15 ILE HG22 H 1 1.162 0.050 . 1 . . . . 48 ILE HG2 . 15451 1 163 . 1 1 15 15 ILE HG23 H 1 1.162 0.050 . 1 . . . . 48 ILE HG2 . 15451 1 164 . 1 1 15 15 ILE C C 13 176.517 0.300 . 1 . . . . 48 ILE CO . 15451 1 165 . 1 1 15 15 ILE CA C 13 59.703 0.300 . 1 . . . . 48 ILE CA . 15451 1 166 . 1 1 15 15 ILE CB C 13 39.600 0.300 . 1 . . . . 48 ILE CB . 15451 1 167 . 1 1 15 15 ILE CD1 C 13 14.824 0.300 . 1 . . . . 48 ILE CD1 . 15451 1 168 . 1 1 15 15 ILE CG1 C 13 30.279 0.300 . 1 . . . . 48 ILE CG1 . 15451 1 169 . 1 1 15 15 ILE CG2 C 13 21.135 0.300 . 1 . . . . 48 ILE CG2 . 15451 1 170 . 1 1 15 15 ILE N N 15 126.120 0.500 . 1 . . . . 48 ILE N . 15451 1 171 . 1 1 16 16 GLY H H 1 9.674 0.050 . 1 . . . . 49 GLY HN . 15451 1 172 . 1 1 16 16 GLY HA2 H 1 4.138 0.050 . 1 . . . . 49 GLY HA2 . 15451 1 173 . 1 1 16 16 GLY HA3 H 1 3.816 0.050 . 1 . . . . 49 GLY HA3 . 15451 1 174 . 1 1 16 16 GLY C C 13 176.813 0.300 . 1 . . . . 49 GLY CO . 15451 1 175 . 1 1 16 16 GLY CA C 13 47.114 0.300 . 1 . . . . 49 GLY CA . 15451 1 176 . 1 1 16 16 GLY N N 15 111.805 0.500 . 1 . . . . 49 GLY N . 15451 1 177 . 1 1 17 17 ASN H H 1 8.526 0.050 . 1 . . . . 50 ASN HN . 15451 1 178 . 1 1 17 17 ASN HA H 1 4.532 0.050 . 1 . . . . 50 ASN HA . 15451 1 179 . 1 1 17 17 ASN HB2 H 1 3.136 0.050 . 1 . . . . 50 ASN HB2 . 15451 1 180 . 1 1 17 17 ASN HB3 H 1 3.018 0.050 . 1 . . . . 50 ASN HB3 . 15451 1 181 . 1 1 17 17 ASN HD21 H 1 9.149 0.050 . 1 . . . . 50 ASN HD21 . 15451 1 182 . 1 1 17 17 ASN HD22 H 1 7.135 0.050 . 1 . . . . 50 ASN HD22 . 15451 1 183 . 1 1 17 17 ASN C C 13 177.218 0.300 . 1 . . . . 50 ASN CO . 15451 1 184 . 1 1 17 17 ASN CA C 13 55.334 0.300 . 1 . . . . 50 ASN CA . 15451 1 185 . 1 1 17 17 ASN CB C 13 36.690 0.300 . 1 . . . . 50 ASN CB . 15451 1 186 . 1 1 17 17 ASN CG C 13 176.164 0.300 . 1 . . . . 50 ASN CG . 15451 1 187 . 1 1 17 17 ASN N N 15 122.237 0.500 . 1 . . . . 50 ASN N . 15451 1 188 . 1 1 17 17 ASN ND2 N 15 111.440 0.500 . 1 . . . . 50 ASN ND2 . 15451 1 189 . 1 1 18 18 LEU H H 1 8.638 0.050 . 1 . . . . 51 LEU HN . 15451 1 190 . 1 1 18 18 LEU HA H 1 4.004 0.050 . 1 . . . . 51 LEU HA . 15451 1 191 . 1 1 18 18 LEU HB2 H 1 1.897 0.050 . 1 . . . . 51 LEU HB2 . 15451 1 192 . 1 1 18 18 LEU HB3 H 1 1.750 0.050 . 1 . . . . 51 LEU HB3 . 15451 1 193 . 1 1 18 18 LEU HD11 H 1 0.854 0.050 . 2 . . . . 51 LEU HD1 . 15451 1 194 . 1 1 18 18 LEU HD12 H 1 0.854 0.050 . 2 . . . . 51 LEU HD1 . 15451 1 195 . 1 1 18 18 LEU HD13 H 1 0.854 0.050 . 2 . . . . 51 LEU HD1 . 15451 1 196 . 1 1 18 18 LEU HD21 H 1 0.900 0.050 . 2 . . . . 51 LEU HD2 . 15451 1 197 . 1 1 18 18 LEU HD22 H 1 0.900 0.050 . 2 . . . . 51 LEU HD2 . 15451 1 198 . 1 1 18 18 LEU HD23 H 1 0.900 0.050 . 2 . . . . 51 LEU HD2 . 15451 1 199 . 1 1 18 18 LEU HG H 1 1.633 0.050 . 1 . . . . 51 LEU HG . 15451 1 200 . 1 1 18 18 LEU C C 13 178.360 0.300 . 1 . . . . 51 LEU CO . 15451 1 201 . 1 1 18 18 LEU CA C 13 57.924 0.300 . 1 . . . . 51 LEU CA . 15451 1 202 . 1 1 18 18 LEU CB C 13 43.620 0.300 . 1 . . . . 51 LEU CB . 15451 1 203 . 1 1 18 18 LEU CD1 C 13 25.464 0.300 . 1 . . . . 51 LEU CD1 . 15451 1 204 . 1 1 18 18 LEU CD2 C 13 23.700 0.300 . 1 . . . . 51 LEU CD2 . 15451 1 205 . 1 1 18 18 LEU CG C 13 26.746 0.300 . 1 . . . . 51 LEU CG . 15451 1 206 . 1 1 18 18 LEU N N 15 120.393 0.500 . 1 . . . . 51 LEU N . 15451 1 207 . 1 1 19 19 LYS H H 1 7.526 0.050 . 1 . . . . 52 LYS HN . 15451 1 208 . 1 1 19 19 LYS HA H 1 3.743 0.050 . 1 . . . . 52 LYS HA . 15451 1 209 . 1 1 19 19 LYS HB2 H 1 1.905 0.050 . 1 . . . . 52 LYS HB2 . 15451 1 210 . 1 1 19 19 LYS HB3 H 1 1.826 0.050 . 1 . . . . 52 LYS HB3 . 15451 1 211 . 1 1 19 19 LYS HD2 H 1 1.959 0.050 . 2 . . . . 52 LYS HD . 15451 1 212 . 1 1 19 19 LYS HD3 H 1 1.959 0.050 . 2 . . . . 52 LYS HD . 15451 1 213 . 1 1 19 19 LYS HE2 H 1 3.039 0.050 . 2 . . . . 52 LYS HE . 15451 1 214 . 1 1 19 19 LYS HE3 H 1 3.039 0.050 . 2 . . . . 52 LYS HE . 15451 1 215 . 1 1 19 19 LYS HG2 H 1 1.586 0.050 . 1 . . . . 52 LYS HG2 . 15451 1 216 . 1 1 19 19 LYS HG3 H 1 1.150 0.050 . 1 . . . . 52 LYS HG3 . 15451 1 217 . 1 1 19 19 LYS C C 13 177.641 0.300 . 1 . . . . 52 LYS CO . 15451 1 218 . 1 1 19 19 LYS CA C 13 60.926 0.300 . 1 . . . . 52 LYS CA . 15451 1 219 . 1 1 19 19 LYS CB C 13 32.704 0.300 . 1 . . . . 52 LYS CB . 15451 1 220 . 1 1 19 19 LYS CD C 13 29.907 0.300 . 1 . . . . 52 LYS CD . 15451 1 221 . 1 1 19 19 LYS CE C 13 43.068 0.300 . 1 . . . . 52 LYS CE . 15451 1 222 . 1 1 19 19 LYS CG C 13 27.725 0.300 . 1 . . . . 52 LYS CG . 15451 1 223 . 1 1 19 19 LYS N N 15 114.125 0.500 . 1 . . . . 52 LYS N . 15451 1 224 . 1 1 20 20 LYS H H 1 7.013 0.050 . 1 . . . . 53 LYS HN . 15451 1 225 . 1 1 20 20 LYS HA H 1 4.179 0.050 . 1 . . . . 53 LYS HA . 15451 1 226 . 1 1 20 20 LYS HB2 H 1 2.031 0.050 . 1 . . . . 53 LYS HB2 . 15451 1 227 . 1 1 20 20 LYS HB3 H 1 1.970 0.050 . 1 . . . . 53 LYS HB3 . 15451 1 228 . 1 1 20 20 LYS HD2 H 1 1.733 0.050 . 2 . . . . 53 LYS HD . 15451 1 229 . 1 1 20 20 LYS HD3 H 1 1.733 0.050 . 2 . . . . 53 LYS HD . 15451 1 230 . 1 1 20 20 LYS HE2 H 1 3.063 0.050 . 2 . . . . 53 LYS HE . 15451 1 231 . 1 1 20 20 LYS HE3 H 1 3.063 0.050 . 2 . . . . 53 LYS HE . 15451 1 232 . 1 1 20 20 LYS HG2 H 1 1.586 0.050 . 2 . . . . 53 LYS HG . 15451 1 233 . 1 1 20 20 LYS HG3 H 1 1.586 0.050 . 2 . . . . 53 LYS HG . 15451 1 234 . 1 1 20 20 LYS C C 13 179.338 0.300 . 1 . . . . 53 LYS CO . 15451 1 235 . 1 1 20 20 LYS CA C 13 58.072 0.300 . 1 . . . . 53 LYS CA . 15451 1 236 . 1 1 20 20 LYS CB C 13 31.983 0.300 . 1 . . . . 53 LYS CB . 15451 1 237 . 1 1 20 20 LYS CD C 13 28.889 0.300 . 1 . . . . 53 LYS CD . 15451 1 238 . 1 1 20 20 LYS CE C 13 42.050 0.300 . 1 . . . . 53 LYS CE . 15451 1 239 . 1 1 20 20 LYS CG C 13 25.175 0.300 . 1 . . . . 53 LYS CG . 15451 1 240 . 1 1 20 20 LYS N N 15 116.108 0.500 . 1 . . . . 53 LYS N . 15451 1 241 . 1 1 21 21 LEU H H 1 7.548 0.050 . 1 . . . . 54 LEU HN . 15451 1 242 . 1 1 21 21 LEU HA H 1 4.236 0.050 . 1 . . . . 54 LEU HA . 15451 1 243 . 1 1 21 21 LEU HB2 H 1 1.832 0.050 . 1 . . . . 54 LEU HB2 . 15451 1 244 . 1 1 21 21 LEU HB3 H 1 1.431 0.050 . 1 . . . . 54 LEU HB3 . 15451 1 245 . 1 1 21 21 LEU HD11 H 1 0.990 0.050 . 2 . . . . 54 LEU HD1 . 15451 1 246 . 1 1 21 21 LEU HD12 H 1 0.990 0.050 . 2 . . . . 54 LEU HD1 . 15451 1 247 . 1 1 21 21 LEU HD13 H 1 0.990 0.050 . 2 . . . . 54 LEU HD1 . 15451 1 248 . 1 1 21 21 LEU HD21 H 1 1.015 0.050 . 2 . . . . 54 LEU HD2 . 15451 1 249 . 1 1 21 21 LEU HD22 H 1 1.015 0.050 . 2 . . . . 54 LEU HD2 . 15451 1 250 . 1 1 21 21 LEU HD23 H 1 1.015 0.050 . 2 . . . . 54 LEU HD2 . 15451 1 251 . 1 1 21 21 LEU HG H 1 1.867 0.050 . 1 . . . . 54 LEU HG . 15451 1 252 . 1 1 21 21 LEU C C 13 178.968 0.300 . 1 . . . . 54 LEU CO . 15451 1 253 . 1 1 21 21 LEU CA C 13 56.971 0.300 . 1 . . . . 54 LEU CA . 15451 1 254 . 1 1 21 21 LEU CB C 13 42.418 0.300 . 1 . . . . 54 LEU CB . 15451 1 255 . 1 1 21 21 LEU CD1 C 13 22.099 0.300 . 1 . . . . 54 LEU CD1 . 15451 1 256 . 1 1 21 21 LEU CD2 C 13 25.483 0.300 . 1 . . . . 54 LEU CD2 . 15451 1 257 . 1 1 21 21 LEU CG C 13 26.599 0.300 . 1 . . . . 54 LEU CG . 15451 1 258 . 1 1 21 21 LEU N N 15 117.351 0.500 . 1 . . . . 54 LEU N . 15451 1 259 . 1 1 22 22 LEU H H 1 7.719 0.050 . 1 . . . . 55 LEU HN . 15451 1 260 . 1 1 22 22 LEU HA H 1 4.324 0.050 . 1 . . . . 55 LEU HA . 15451 1 261 . 1 1 22 22 LEU HB2 H 1 1.802 0.050 . 1 . . . . 55 LEU HB2 . 15451 1 262 . 1 1 22 22 LEU HB3 H 1 1.303 0.050 . 1 . . . . 55 LEU HB3 . 15451 1 263 . 1 1 22 22 LEU HD11 H 1 0.848 0.050 . 2 . . . . 55 LEU HD1 . 15451 1 264 . 1 1 22 22 LEU HD12 H 1 0.848 0.050 . 2 . . . . 55 LEU HD1 . 15451 1 265 . 1 1 22 22 LEU HD13 H 1 0.848 0.050 . 2 . . . . 55 LEU HD1 . 15451 1 266 . 1 1 22 22 LEU HD21 H 1 0.741 0.050 . 2 . . . . 55 LEU HD2 . 15451 1 267 . 1 1 22 22 LEU HD22 H 1 0.741 0.050 . 2 . . . . 55 LEU HD2 . 15451 1 268 . 1 1 22 22 LEU HD23 H 1 0.741 0.050 . 2 . . . . 55 LEU HD2 . 15451 1 269 . 1 1 22 22 LEU C C 13 178.518 0.300 . 1 . . . . 55 LEU CO . 15451 1 270 . 1 1 22 22 LEU CA C 13 56.153 0.300 . 1 . . . . 55 LEU CA . 15451 1 271 . 1 1 22 22 LEU CB C 13 43.537 0.300 . 1 . . . . 55 LEU CB . 15451 1 272 . 1 1 22 22 LEU CD1 C 13 23.688 0.300 . 1 . . . . 55 LEU CD1 . 15451 1 273 . 1 1 22 22 LEU CD2 C 13 26.547 0.300 . 1 . . . . 55 LEU CD2 . 15451 1 274 . 1 1 22 22 LEU N N 15 114.790 0.500 . 1 . . . . 55 LEU N . 15451 1 275 . 1 1 23 23 GLU H H 1 8.113 0.050 . 1 . . . . 56 GLU HN . 15451 1 276 . 1 1 23 23 GLU HA H 1 4.160 0.050 . 1 . . . . 56 GLU HA . 15451 1 277 . 1 1 23 23 GLU CA C 13 62.702 0.300 . 1 . . . . 56 GLU CA . 15451 1 278 . 1 1 23 23 GLU CB C 13 28.011 0.300 . 1 . . . . 56 GLU CB . 15451 1 279 . 1 1 23 23 GLU N N 15 121.957 0.500 . 1 . . . . 56 GLU N . 15451 1 280 . 1 1 24 24 PRO HA H 1 4.514 0.050 . 1 . . . . 57 PRO HA . 15451 1 281 . 1 1 24 24 PRO HB2 H 1 2.444 0.050 . 1 . . . . 57 PRO HB2 . 15451 1 282 . 1 1 24 24 PRO HB3 H 1 1.943 0.050 . 1 . . . . 57 PRO HB3 . 15451 1 283 . 1 1 24 24 PRO HD2 H 1 3.736 0.050 . 2 . . . . 57 PRO HD . 15451 1 284 . 1 1 24 24 PRO HD3 H 1 3.736 0.050 . 2 . . . . 57 PRO HD . 15451 1 285 . 1 1 24 24 PRO HG2 H 1 2.116 0.050 . 2 . . . . 57 PRO HG . 15451 1 286 . 1 1 24 24 PRO HG3 H 1 2.116 0.050 . 2 . . . . 57 PRO HG . 15451 1 287 . 1 1 24 24 PRO C C 13 178.397 0.300 . 1 . . . . 57 PRO CO . 15451 1 288 . 1 1 24 24 PRO CA C 13 65.369 0.300 . 1 . . . . 57 PRO CA . 15451 1 289 . 1 1 24 24 PRO CB C 13 31.144 0.300 . 1 . . . . 57 PRO CB . 15451 1 290 . 1 1 24 24 PRO CD C 13 50.754 0.300 . 1 . . . . 57 PRO CD . 15451 1 291 . 1 1 24 24 PRO CG C 13 28.198 0.300 . 1 . . . . 57 PRO CG . 15451 1 292 . 1 1 25 25 ARG H H 1 7.071 0.050 . 1 . . . . 58 ARG HN . 15451 1 293 . 1 1 25 25 ARG HA H 1 4.341 0.050 . 1 . . . . 58 ARG HA . 15451 1 294 . 1 1 25 25 ARG HB2 H 1 1.983 0.050 . 1 . . . . 58 ARG HB2 . 15451 1 295 . 1 1 25 25 ARG HB3 H 1 2.124 0.050 . 1 . . . . 58 ARG HB3 . 15451 1 296 . 1 1 25 25 ARG HG2 H 1 1.970 0.050 . 1 . . . . 58 ARG HG2 . 15451 1 297 . 1 1 25 25 ARG HG3 H 1 1.801 0.050 . 1 . . . . 58 ARG HG3 . 15451 1 298 . 1 1 25 25 ARG C C 13 177.656 0.300 . 1 . . . . 58 ARG CO . 15451 1 299 . 1 1 25 25 ARG CA C 13 57.953 0.300 . 1 . . . . 58 ARG CA . 15451 1 300 . 1 1 25 25 ARG CB C 13 30.956 0.300 . 1 . . . . 58 ARG CB . 15451 1 301 . 1 1 25 25 ARG CG C 13 26.882 0.300 . 1 . . . . 58 ARG CG . 15451 1 302 . 1 1 25 25 ARG N N 15 115.416 0.500 . 1 . . . . 58 ARG N . 15451 1 303 . 1 1 26 26 LEU H H 1 8.144 0.050 . 1 . . . . 59 LEU HN . 15451 1 304 . 1 1 26 26 LEU HA H 1 4.377 0.050 . 1 . . . . 59 LEU HA . 15451 1 305 . 1 1 26 26 LEU HB2 H 1 1.659 0.050 . 1 . . . . 59 LEU HB2 . 15451 1 306 . 1 1 26 26 LEU HB3 H 1 1.773 0.050 . 1 . . . . 59 LEU HB3 . 15451 1 307 . 1 1 26 26 LEU HD11 H 1 0.906 0.050 . 2 . . . . 59 LEU HD1 . 15451 1 308 . 1 1 26 26 LEU HD12 H 1 0.906 0.050 . 2 . . . . 59 LEU HD1 . 15451 1 309 . 1 1 26 26 LEU HD13 H 1 0.906 0.050 . 2 . . . . 59 LEU HD1 . 15451 1 310 . 1 1 26 26 LEU HD21 H 1 0.883 0.050 . 2 . . . . 59 LEU HD2 . 15451 1 311 . 1 1 26 26 LEU HD22 H 1 0.883 0.050 . 2 . . . . 59 LEU HD2 . 15451 1 312 . 1 1 26 26 LEU HD23 H 1 0.883 0.050 . 2 . . . . 59 LEU HD2 . 15451 1 313 . 1 1 26 26 LEU HG H 1 1.782 0.050 . 1 . . . . 59 LEU HG . 15451 1 314 . 1 1 26 26 LEU C C 13 176.800 0.300 . 1 . . . . 59 LEU CO . 15451 1 315 . 1 1 26 26 LEU CA C 13 55.181 0.300 . 1 . . . . 59 LEU CA . 15451 1 316 . 1 1 26 26 LEU CB C 13 42.868 0.300 . 1 . . . . 59 LEU CB . 15451 1 317 . 1 1 26 26 LEU CD1 C 13 22.413 0.300 . 1 . . . . 59 LEU CD1 . 15451 1 318 . 1 1 26 26 LEU CD2 C 13 26.690 0.300 . 1 . . . . 59 LEU CD2 . 15451 1 319 . 1 1 26 26 LEU CG C 13 27.491 0.300 . 1 . . . . 59 LEU CG . 15451 1 320 . 1 1 26 26 LEU N N 15 117.774 0.500 . 1 . . . . 59 LEU N . 15451 1 321 . 1 1 27 27 GLN H H 1 8.386 0.050 . 1 . . . . 60 GLN HN . 15451 1 322 . 1 1 27 27 GLN HA H 1 3.944 0.050 . 1 . . . . 60 GLN HA . 15451 1 323 . 1 1 27 27 GLN HB2 H 1 2.275 0.050 . 2 . . . . 60 GLN HB . 15451 1 324 . 1 1 27 27 GLN HB3 H 1 2.275 0.050 . 2 . . . . 60 GLN HB . 15451 1 325 . 1 1 27 27 GLN HE21 H 1 7.636 0.050 . 1 . . . . 60 GLN HE21 . 15451 1 326 . 1 1 27 27 GLN HE22 H 1 6.849 0.050 . 1 . . . . 60 GLN HE22 . 15451 1 327 . 1 1 27 27 GLN HG2 H 1 2.277 0.050 . 2 . . . . 60 GLN HG . 15451 1 328 . 1 1 27 27 GLN HG3 H 1 2.277 0.050 . 2 . . . . 60 GLN HG . 15451 1 329 . 1 1 27 27 GLN C C 13 174.303 0.300 . 1 . . . . 60 GLN CO . 15451 1 330 . 1 1 27 27 GLN CA C 13 56.570 0.300 . 1 . . . . 60 GLN CA . 15451 1 331 . 1 1 27 27 GLN CB C 13 26.056 0.300 . 1 . . . . 60 GLN CB . 15451 1 332 . 1 1 27 27 GLN CD C 13 181.322 0.300 . 1 . . . . 60 GLN CD . 15451 1 333 . 1 1 27 27 GLN CG C 13 34.377 0.300 . 1 . . . . 60 GLN CG . 15451 1 334 . 1 1 27 27 GLN N N 15 114.310 0.500 . 1 . . . . 60 GLN N . 15451 1 335 . 1 1 27 27 GLN NE2 N 15 112.845 0.500 . 1 . . . . 60 GLN NE2 . 15451 1 336 . 1 1 28 28 CYS H H 1 7.471 0.050 . 1 . . . . 61 CYS HN . 15451 1 337 . 1 1 28 28 CYS HA H 1 4.853 0.050 . 1 . . . . 61 CYS HA . 15451 1 338 . 1 1 28 28 CYS HB2 H 1 2.867 0.050 . 1 . . . . 61 CYS HB2 . 15451 1 339 . 1 1 28 28 CYS HB3 H 1 3.106 0.050 . 1 . . . . 61 CYS HB3 . 15451 1 340 . 1 1 28 28 CYS C C 13 171.849 0.300 . 1 . . . . 61 CYS CO . 15451 1 341 . 1 1 28 28 CYS CA C 13 55.426 0.300 . 1 . . . . 61 CYS CA . 15451 1 342 . 1 1 28 28 CYS CB C 13 30.795 0.300 . 1 . . . . 61 CYS CB . 15451 1 343 . 1 1 28 28 CYS N N 15 111.902 0.500 . 1 . . . . 61 CYS N . 15451 1 344 . 1 1 29 29 SER H H 1 8.315 0.050 . 1 . . . . 62 SER HN . 15451 1 345 . 1 1 29 29 SER HA H 1 4.533 0.050 . 1 . . . . 62 SER HA . 15451 1 346 . 1 1 29 29 SER HB2 H 1 3.992 0.050 . 1 . . . . 62 SER HB2 . 15451 1 347 . 1 1 29 29 SER HB3 H 1 3.875 0.050 . 1 . . . . 62 SER HB3 . 15451 1 348 . 1 1 29 29 SER C C 13 176.985 0.300 . 1 . . . . 62 SER CO . 15451 1 349 . 1 1 29 29 SER CA C 13 57.589 0.300 . 1 . . . . 62 SER CA . 15451 1 350 . 1 1 29 29 SER CB C 13 63.746 0.300 . 1 . . . . 62 SER CB . 15451 1 351 . 1 1 29 29 SER N N 15 112.445 0.500 . 1 . . . . 62 SER N . 15451 1 352 . 1 1 30 30 LEU H H 1 9.840 0.050 . 1 . . . . 63 LEU HN . 15451 1 353 . 1 1 30 30 LEU HA H 1 4.915 0.050 . 1 . . . . 63 LEU HA . 15451 1 354 . 1 1 30 30 LEU HB2 H 1 1.587 0.050 . 1 . . . . 63 LEU HB2 . 15451 1 355 . 1 1 30 30 LEU HB3 H 1 1.464 0.050 . 1 . . . . 63 LEU HB3 . 15451 1 356 . 1 1 30 30 LEU HD11 H 1 0.041 0.050 . 2 . . . . 63 LEU HD1 . 15451 1 357 . 1 1 30 30 LEU HD12 H 1 0.041 0.050 . 2 . . . . 63 LEU HD1 . 15451 1 358 . 1 1 30 30 LEU HD13 H 1 0.041 0.050 . 2 . . . . 63 LEU HD1 . 15451 1 359 . 1 1 30 30 LEU HD21 H 1 0.881 0.050 . 2 . . . . 63 LEU HD2 . 15451 1 360 . 1 1 30 30 LEU HD22 H 1 0.881 0.050 . 2 . . . . 63 LEU HD2 . 15451 1 361 . 1 1 30 30 LEU HD23 H 1 0.881 0.050 . 2 . . . . 63 LEU HD2 . 15451 1 362 . 1 1 30 30 LEU C C 13 177.819 0.300 . 1 . . . . 63 LEU CO . 15451 1 363 . 1 1 30 30 LEU CA C 13 53.728 0.300 . 1 . . . . 63 LEU CA . 15451 1 364 . 1 1 30 30 LEU CB C 13 41.586 0.300 . 1 . . . . 63 LEU CB . 15451 1 365 . 1 1 30 30 LEU CD1 C 13 21.320 0.300 . 1 . . . . 63 LEU CD1 . 15451 1 366 . 1 1 30 30 LEU CD2 C 13 27.520 0.300 . 1 . . . . 63 LEU CD2 . 15451 1 367 . 1 1 30 30 LEU CG C 13 26.357 0.300 . 1 . . . . 63 LEU CG . 15451 1 368 . 1 1 30 30 LEU N N 15 129.111 0.500 . 1 . . . . 63 LEU N . 15451 1 369 . 1 1 31 31 ASP H H 1 7.854 0.050 . 1 . . . . 64 ASP HN . 15451 1 370 . 1 1 31 31 ASP HA H 1 4.262 0.050 . 1 . . . . 64 ASP HA . 15451 1 371 . 1 1 31 31 ASP HB2 H 1 2.694 0.050 . 2 . . . . 64 ASP HB . 15451 1 372 . 1 1 31 31 ASP HB3 H 1 2.694 0.050 . 2 . . . . 64 ASP HB . 15451 1 373 . 1 1 31 31 ASP C C 13 177.323 0.300 . 1 . . . . 64 ASP CO . 15451 1 374 . 1 1 31 31 ASP CA C 13 58.454 0.300 . 1 . . . . 64 ASP CA . 15451 1 375 . 1 1 31 31 ASP CB C 13 41.353 0.300 . 1 . . . . 64 ASP CB . 15451 1 376 . 1 1 31 31 ASP N N 15 120.209 0.500 . 1 . . . . 64 ASP N . 15451 1 377 . 1 1 32 32 ALA H H 1 8.733 0.050 . 1 . . . . 65 ALA HN . 15451 1 378 . 1 1 32 32 ALA HA H 1 4.388 0.050 . 1 . . . . 65 ALA HA . 15451 1 379 . 1 1 32 32 ALA HB1 H 1 1.436 0.050 . 1 . . . . 65 ALA HB . 15451 1 380 . 1 1 32 32 ALA HB2 H 1 1.436 0.050 . 1 . . . . 65 ALA HB . 15451 1 381 . 1 1 32 32 ALA HB3 H 1 1.436 0.050 . 1 . . . . 65 ALA HB . 15451 1 382 . 1 1 32 32 ALA C C 13 177.882 0.300 . 1 . . . . 65 ALA CO . 15451 1 383 . 1 1 32 32 ALA CA C 13 52.565 0.300 . 1 . . . . 65 ALA CA . 15451 1 384 . 1 1 32 32 ALA CB C 13 19.087 0.300 . 1 . . . . 65 ALA CB . 15451 1 385 . 1 1 32 32 ALA N N 15 119.032 0.500 . 1 . . . . 65 ALA N . 15451 1 386 . 1 1 33 33 HIS H H 1 7.988 0.050 . 1 . . . . 66 HIS HN . 15451 1 387 . 1 1 33 33 HIS HA H 1 3.987 0.050 . 1 . . . . 66 HIS HA . 15451 1 388 . 1 1 33 33 HIS HB2 H 1 2.704 0.050 . 1 . . . . 66 HIS HB2 . 15451 1 389 . 1 1 33 33 HIS HB3 H 1 3.015 0.050 . 1 . . . . 66 HIS HB3 . 15451 1 390 . 1 1 33 33 HIS HD2 H 1 6.620 0.050 . 1 . . . . 66 HIS HD2 . 15451 1 391 . 1 1 33 33 HIS HE2 H 1 7.740 0.050 . 1 . . . . 66 HIS HE2 . 15451 1 392 . 1 1 33 33 HIS C C 13 176.453 0.300 . 1 . . . . 66 HIS CO . 15451 1 393 . 1 1 33 33 HIS CA C 13 58.938 0.300 . 1 . . . . 66 HIS CA . 15451 1 394 . 1 1 33 33 HIS CB C 13 31.139 0.300 . 1 . . . . 66 HIS CB . 15451 1 395 . 1 1 33 33 HIS CD2 C 13 117.365 0.300 . 1 . . . . 66 HIS CD2 . 15451 1 396 . 1 1 33 33 HIS CE1 C 13 139.544 0.300 . 1 . . . . 66 HIS CE1 . 15451 1 397 . 1 1 33 33 HIS N N 15 119.091 0.500 . 1 . . . . 66 HIS N . 15451 1 398 . 1 1 33 33 HIS ND1 N 15 166.888 0.500 . 1 . . . . 66 HIS ND1 . 15451 1 399 . 1 1 33 33 HIS NE2 N 15 249.473 0.500 . 1 . . . . 66 HIS NE2 . 15451 1 400 . 1 1 34 34 GLU H H 1 8.030 0.050 . 1 . . . . 67 GLU HN . 15451 1 401 . 1 1 34 34 GLU HA H 1 4.515 0.050 . 1 . . . . 67 GLU HA . 15451 1 402 . 1 1 34 34 GLU HB2 H 1 2.103 0.050 . 1 . . . . 67 GLU HB1 . 15451 1 403 . 1 1 34 34 GLU HB3 H 1 1.986 0.050 . 1 . . . . 67 GLU HB2 . 15451 1 404 . 1 1 34 34 GLU HG2 H 1 2.406 0.050 . 2 . . . . 67 GLU HG . 15451 1 405 . 1 1 34 34 GLU HG3 H 1 2.406 0.050 . 2 . . . . 67 GLU HG . 15451 1 406 . 1 1 34 34 GLU C C 13 175.489 0.300 . 1 . . . . 67 GLU CO . 15451 1 407 . 1 1 34 34 GLU CA C 13 55.675 0.300 . 1 . . . . 67 GLU CA . 15451 1 408 . 1 1 34 34 GLU CB C 13 31.406 0.300 . 1 . . . . 67 GLU CB . 15451 1 409 . 1 1 34 34 GLU CG C 13 36.010 0.300 . 1 . . . . 67 GLU CG . 15451 1 410 . 1 1 34 34 GLU N N 15 123.242 0.500 . 1 . . . . 67 GLU N . 15451 1 411 . 1 1 35 35 ILE H H 1 9.391 0.050 . 1 . . . . 68 ILE HN . 15451 1 412 . 1 1 35 35 ILE HA H 1 4.964 0.050 . 1 . . . . 68 ILE HA . 15451 1 413 . 1 1 35 35 ILE HB H 1 1.675 0.050 . 1 . . . . 68 ILE HB . 15451 1 414 . 1 1 35 35 ILE HD11 H 1 1.010 0.050 . 1 . . . . 68 ILE HD1 . 15451 1 415 . 1 1 35 35 ILE HD12 H 1 1.010 0.050 . 1 . . . . 68 ILE HD1 . 15451 1 416 . 1 1 35 35 ILE HD13 H 1 1.010 0.050 . 1 . . . . 68 ILE HD1 . 15451 1 417 . 1 1 35 35 ILE HG12 H 1 1.917 0.050 . 2 . . . . 68 ILE HG1 . 15451 1 418 . 1 1 35 35 ILE HG13 H 1 1.917 0.050 . 2 . . . . 68 ILE HG1 . 15451 1 419 . 1 1 35 35 ILE HG21 H 1 0.956 0.050 . 1 . . . . 68 ILE HG2 . 15451 1 420 . 1 1 35 35 ILE HG22 H 1 0.956 0.050 . 1 . . . . 68 ILE HG2 . 15451 1 421 . 1 1 35 35 ILE HG23 H 1 0.956 0.050 . 1 . . . . 68 ILE HG2 . 15451 1 422 . 1 1 35 35 ILE C C 13 175.028 0.300 . 1 . . . . 68 ILE CO . 15451 1 423 . 1 1 35 35 ILE CA C 13 61.354 0.300 . 1 . . . . 68 ILE CA . 15451 1 424 . 1 1 35 35 ILE CB C 13 39.270 0.300 . 1 . . . . 68 ILE CB . 15451 1 425 . 1 1 35 35 ILE CD1 C 13 15.769 0.300 . 1 . . . . 68 ILE CD1 . 15451 1 426 . 1 1 35 35 ILE CG1 C 13 28.164 0.300 . 1 . . . . 68 ILE CG1 . 15451 1 427 . 1 1 35 35 ILE CG2 C 13 18.609 0.300 . 1 . . . . 68 ILE CG2 . 15451 1 428 . 1 1 35 35 ILE N N 15 123.889 0.500 . 1 . . . . 68 ILE N . 15451 1 429 . 1 1 36 36 CYS H H 1 9.063 0.050 . 1 . . . . 69 CYS HN . 15451 1 430 . 1 1 36 36 CYS HA H 1 5.454 0.050 . 1 . . . . 69 CYS HA . 15451 1 431 . 1 1 36 36 CYS HB2 H 1 3.030 0.050 . 1 . . . . 69 CYS HB2 . 15451 1 432 . 1 1 36 36 CYS HB3 H 1 2.451 0.050 . 1 . . . . 69 CYS HB3 . 15451 1 433 . 1 1 36 36 CYS C C 13 172.516 0.300 . 1 . . . . 69 CYS CO . 15451 1 434 . 1 1 36 36 CYS CA C 13 56.230 0.300 . 1 . . . . 69 CYS CA . 15451 1 435 . 1 1 36 36 CYS CB C 13 32.516 0.300 . 1 . . . . 69 CYS CB . 15451 1 436 . 1 1 36 36 CYS N N 15 123.437 0.500 . 1 . . . . 69 CYS N . 15451 1 437 . 1 1 37 37 LEU H H 1 9.202 0.050 . 1 . . . . 70 LEU HN . 15451 1 438 . 1 1 37 37 LEU HA H 1 4.910 0.050 . 1 . . . . 70 LEU HA . 15451 1 439 . 1 1 37 37 LEU HB2 H 1 1.959 0.050 . 1 . . . . 70 LEU HB2 . 15451 1 440 . 1 1 37 37 LEU HB3 H 1 1.207 0.050 . 1 . . . . 70 LEU HB3 . 15451 1 441 . 1 1 37 37 LEU HD11 H 1 0.687 0.050 . 2 . . . . 70 LEU HD1 . 15451 1 442 . 1 1 37 37 LEU HD12 H 1 0.687 0.050 . 2 . . . . 70 LEU HD1 . 15451 1 443 . 1 1 37 37 LEU HD13 H 1 0.687 0.050 . 2 . . . . 70 LEU HD1 . 15451 1 444 . 1 1 37 37 LEU HD21 H 1 0.804 0.050 . 2 . . . . 70 LEU HD2 . 15451 1 445 . 1 1 37 37 LEU HD22 H 1 0.804 0.050 . 2 . . . . 70 LEU HD2 . 15451 1 446 . 1 1 37 37 LEU HD23 H 1 0.804 0.050 . 2 . . . . 70 LEU HD2 . 15451 1 447 . 1 1 37 37 LEU HG H 1 1.463 0.050 . 1 . . . . 70 LEU HG . 15451 1 448 . 1 1 37 37 LEU C C 13 175.637 0.300 . 1 . . . . 70 LEU CO . 15451 1 449 . 1 1 37 37 LEU CA C 13 53.988 0.300 . 1 . . . . 70 LEU CA . 15451 1 450 . 1 1 37 37 LEU CB C 13 44.679 0.300 . 1 . . . . 70 LEU CB . 15451 1 451 . 1 1 37 37 LEU CD1 C 13 25.667 0.300 . 1 . . . . 70 LEU CD1 . 15451 1 452 . 1 1 37 37 LEU CD2 C 13 24.033 0.300 . 1 . . . . 70 LEU CD2 . 15451 1 453 . 1 1 37 37 LEU CG C 13 27.835 0.300 . 1 . . . . 70 LEU CG . 15451 1 454 . 1 1 37 37 LEU N N 15 124.022 0.500 . 1 . . . . 70 LEU N . 15451 1 455 . 1 1 38 38 GLN H H 1 9.373 0.050 . 1 . . . . 71 GLN HN . 15451 1 456 . 1 1 38 38 GLN HA H 1 3.808 0.050 . 1 . . . . 71 GLN HA . 15451 1 457 . 1 1 38 38 GLN HB2 H 1 2.204 0.050 . 1 . . . . 71 GLN HB2 . 15451 1 458 . 1 1 38 38 GLN HB3 H 1 2.289 0.050 . 1 . . . . 71 GLN HB3 . 15451 1 459 . 1 1 38 38 GLN HE21 H 1 7.493 0.050 . 1 . . . . 71 GLN HE21 . 15451 1 460 . 1 1 38 38 GLN HE22 H 1 6.864 0.050 . 1 . . . . 71 GLN HE22 . 15451 1 461 . 1 1 38 38 GLN HG2 H 1 2.502 0.050 . 2 . . . . 71 GLN HG . 15451 1 462 . 1 1 38 38 GLN HG3 H 1 2.502 0.050 . 2 . . . . 71 GLN HG . 15451 1 463 . 1 1 38 38 GLN C C 13 174.999 0.300 . 1 . . . . 71 GLN CO . 15451 1 464 . 1 1 38 38 GLN CA C 13 58.132 0.300 . 1 . . . . 71 GLN CA . 15451 1 465 . 1 1 38 38 GLN CB C 13 26.540 0.300 . 1 . . . . 71 GLN CB . 15451 1 466 . 1 1 38 38 GLN CD C 13 180.652 0.300 . 1 . . . . 71 GLN CD . 15451 1 467 . 1 1 38 38 GLN CG C 13 34.182 0.300 . 1 . . . . 71 GLN CG . 15451 1 468 . 1 1 38 38 GLN N N 15 127.914 0.500 . 1 . . . . 71 GLN N . 15451 1 469 . 1 1 38 38 GLN NE2 N 15 110.856 0.500 . 1 . . . . 71 GLN NE2 . 15451 1 470 . 1 1 39 39 ASP H H 1 8.891 0.050 . 1 . . . . 72 ASP HN . 15451 1 471 . 1 1 39 39 ASP HA H 1 4.111 0.050 . 1 . . . . 72 ASP HA . 15451 1 472 . 1 1 39 39 ASP HB2 H 1 3.137 0.050 . 1 . . . . 72 ASP HB2 . 15451 1 473 . 1 1 39 39 ASP HB3 H 1 2.905 0.050 . 1 . . . . 72 ASP HB3 . 15451 1 474 . 1 1 39 39 ASP C C 13 175.263 0.300 . 1 . . . . 72 ASP CO . 15451 1 475 . 1 1 39 39 ASP CA C 13 57.179 0.300 . 1 . . . . 72 ASP CA . 15451 1 476 . 1 1 39 39 ASP CB C 13 40.371 0.300 . 1 . . . . 72 ASP CB . 15451 1 477 . 1 1 39 39 ASP N N 15 109.718 0.500 . 1 . . . . 72 ASP N . 15451 1 478 . 1 1 40 40 ILE H H 1 7.973 0.050 . 1 . . . . 73 ILE HN . 15451 1 479 . 1 1 40 40 ILE HA H 1 4.297 0.050 . 1 . . . . 73 ILE HA . 15451 1 480 . 1 1 40 40 ILE HB H 1 2.243 0.050 . 1 . . . . 73 ILE HB . 15451 1 481 . 1 1 40 40 ILE HD11 H 1 0.938 0.050 . 1 . . . . 73 ILE HD1 . 15451 1 482 . 1 1 40 40 ILE HD12 H 1 0.938 0.050 . 1 . . . . 73 ILE HD1 . 15451 1 483 . 1 1 40 40 ILE HD13 H 1 0.938 0.050 . 1 . . . . 73 ILE HD1 . 15451 1 484 . 1 1 40 40 ILE HG12 H 1 1.623 0.050 . 1 . . . . 73 ILE HG11 . 15451 1 485 . 1 1 40 40 ILE HG13 H 1 1.429 0.050 . 1 . . . . 73 ILE HG12 . 15451 1 486 . 1 1 40 40 ILE HG21 H 1 1.015 0.050 . 1 . . . . 73 ILE HG2 . 15451 1 487 . 1 1 40 40 ILE HG22 H 1 1.015 0.050 . 1 . . . . 73 ILE HG2 . 15451 1 488 . 1 1 40 40 ILE HG23 H 1 1.015 0.050 . 1 . . . . 73 ILE HG2 . 15451 1 489 . 1 1 40 40 ILE C C 13 176.013 0.300 . 1 . . . . 73 ILE CO . 15451 1 490 . 1 1 40 40 ILE CA C 13 60.066 0.300 . 1 . . . . 73 ILE CA . 15451 1 491 . 1 1 40 40 ILE CB C 13 37.656 0.300 . 1 . . . . 73 ILE CB . 15451 1 492 . 1 1 40 40 ILE CD1 C 13 11.342 0.300 . 1 . . . . 73 ILE CD1 . 15451 1 493 . 1 1 40 40 ILE CG1 C 13 27.077 0.300 . 1 . . . . 73 ILE CG1 . 15451 1 494 . 1 1 40 40 ILE CG2 C 13 17.242 0.300 . 1 . . . . 73 ILE CG2 . 15451 1 495 . 1 1 40 40 ILE N N 15 122.694 0.500 . 1 . . . . 73 ILE N . 15451 1 496 . 1 1 41 41 GLN H H 1 8.740 0.050 . 1 . . . . 74 GLN HN . 15451 1 497 . 1 1 41 41 GLN HA H 1 4.522 0.050 . 1 . . . . 74 GLN HA . 15451 1 498 . 1 1 41 41 GLN HB2 H 1 2.087 0.050 . 2 . . . . 74 GLN HB . 15451 1 499 . 1 1 41 41 GLN HB3 H 1 2.087 0.050 . 2 . . . . 74 GLN HB . 15451 1 500 . 1 1 41 41 GLN HE21 H 1 7.770 0.050 . 1 . . . . 74 GLN HE21 . 15451 1 501 . 1 1 41 41 GLN HE22 H 1 6.826 0.050 . 1 . . . . 74 GLN HE22 . 15451 1 502 . 1 1 41 41 GLN HG2 H 1 2.493 0.050 . 2 . . . . 74 GLN HG . 15451 1 503 . 1 1 41 41 GLN HG3 H 1 2.493 0.050 . 2 . . . . 74 GLN HG . 15451 1 504 . 1 1 41 41 GLN C C 13 175.747 0.300 . 1 . . . . 74 GLN CO . 15451 1 505 . 1 1 41 41 GLN CA C 13 58.086 0.300 . 1 . . . . 74 GLN CA . 15451 1 506 . 1 1 41 41 GLN CB C 13 29.342 0.300 . 1 . . . . 74 GLN CB . 15451 1 507 . 1 1 41 41 GLN CD C 13 180.330 0.300 . 1 . . . . 74 GLN CD . 15451 1 508 . 1 1 41 41 GLN CG C 13 34.406 0.300 . 1 . . . . 74 GLN CG . 15451 1 509 . 1 1 41 41 GLN N N 15 128.272 0.500 . 1 . . . . 74 GLN N . 15451 1 510 . 1 1 41 41 GLN NE2 N 15 112.095 0.500 . 1 . . . . 74 GLN NE2 . 15451 1 511 . 1 1 42 42 LEU H H 1 8.983 0.050 . 1 . . . . 75 LEU HN . 15451 1 512 . 1 1 42 42 LEU HA H 1 4.599 0.050 . 1 . . . . 75 LEU HA . 15451 1 513 . 1 1 42 42 LEU HB2 H 1 1.529 0.050 . 1 . . . . 75 LEU HB2 . 15451 1 514 . 1 1 42 42 LEU HB3 H 1 1.258 0.050 . 1 . . . . 75 LEU HB3 . 15451 1 515 . 1 1 42 42 LEU HD11 H 1 0.833 0.050 . 2 . . . . 75 LEU HD1 . 15451 1 516 . 1 1 42 42 LEU HD12 H 1 0.833 0.050 . 2 . . . . 75 LEU HD1 . 15451 1 517 . 1 1 42 42 LEU HD13 H 1 0.833 0.050 . 2 . . . . 75 LEU HD1 . 15451 1 518 . 1 1 42 42 LEU HD21 H 1 0.792 0.050 . 2 . . . . 75 LEU HD2 . 15451 1 519 . 1 1 42 42 LEU HD22 H 1 0.792 0.050 . 2 . . . . 75 LEU HD2 . 15451 1 520 . 1 1 42 42 LEU HD23 H 1 0.792 0.050 . 2 . . . . 75 LEU HD2 . 15451 1 521 . 1 1 42 42 LEU C C 13 176.010 0.300 . 1 . . . . 75 LEU CO . 15451 1 522 . 1 1 42 42 LEU CA C 13 53.138 0.300 . 1 . . . . 75 LEU CA . 15451 1 523 . 1 1 42 42 LEU CB C 13 44.230 0.300 . 1 . . . . 75 LEU CB . 15451 1 524 . 1 1 42 42 LEU CD1 C 13 21.806 0.300 . 1 . . . . 75 LEU CD1 . 15451 1 525 . 1 1 42 42 LEU CD2 C 13 27.757 0.300 . 1 . . . . 75 LEU CD2 . 15451 1 526 . 1 1 42 42 LEU CG C 13 26.642 0.300 . 1 . . . . 75 LEU CG . 15451 1 527 . 1 1 42 42 LEU N N 15 124.870 0.500 . 1 . . . . 75 LEU N . 15451 1 528 . 1 1 43 43 ASP H H 1 9.233 0.050 . 1 . . . . 76 ASP HN . 15451 1 529 . 1 1 43 43 ASP HA H 1 5.000 0.050 . 1 . . . . 76 ASP HA . 15451 1 530 . 1 1 43 43 ASP CA C 13 50.633 0.300 . 1 . . . . 76 ASP CA . 15451 1 531 . 1 1 43 43 ASP CB C 13 41.989 0.300 . 1 . . . . 76 ASP CB . 15451 1 532 . 1 1 43 43 ASP N N 15 122.450 0.500 . 1 . . . . 76 ASP N . 15451 1 533 . 1 1 44 44 PRO HA H 1 4.338 0.050 . 1 . . . . 77 PRO HA . 15451 1 534 . 1 1 44 44 PRO HB2 H 1 2.220 0.050 . 2 . . . . 77 PRO HB . 15451 1 535 . 1 1 44 44 PRO HB3 H 1 2.220 0.050 . 2 . . . . 77 PRO HB . 15451 1 536 . 1 1 44 44 PRO HD2 H 1 4.174 0.050 . 2 . . . . 77 PRO HD . 15451 1 537 . 1 1 44 44 PRO HD3 H 1 4.174 0.050 . 2 . . . . 77 PRO HD . 15451 1 538 . 1 1 44 44 PRO HG2 H 1 2.165 0.050 . 2 . . . . 77 PRO HG . 15451 1 539 . 1 1 44 44 PRO HG3 H 1 2.165 0.050 . 2 . . . . 77 PRO HG . 15451 1 540 . 1 1 44 44 PRO C C 13 177.028 0.300 . 1 . . . . 77 PRO CO . 15451 1 541 . 1 1 44 44 PRO CA C 13 63.633 0.300 . 1 . . . . 77 PRO CA . 15451 1 542 . 1 1 44 44 PRO CB C 13 32.635 0.300 . 1 . . . . 77 PRO CB . 15451 1 543 . 1 1 44 44 PRO CD C 13 51.205 0.300 . 1 . . . . 77 PRO CD . 15451 1 544 . 1 1 44 44 PRO CG C 13 27.203 0.300 . 1 . . . . 77 PRO CG . 15451 1 545 . 1 1 45 45 ASP H H 1 8.506 0.050 . 1 . . . . 78 ASP HN . 15451 1 546 . 1 1 45 45 ASP HA H 1 4.803 0.050 . 1 . . . . 78 ASP HA . 15451 1 547 . 1 1 45 45 ASP HB2 H 1 2.763 0.050 . 1 . . . . 78 ASP HB2 . 15451 1 548 . 1 1 45 45 ASP HB3 H 1 2.903 0.050 . 1 . . . . 78 ASP HB3 . 15451 1 549 . 1 1 45 45 ASP C C 13 175.897 0.300 . 1 . . . . 78 ASP CO . 15451 1 550 . 1 1 45 45 ASP CA C 13 55.091 0.300 . 1 . . . . 78 ASP CA . 15451 1 551 . 1 1 45 45 ASP CB C 13 41.315 0.300 . 1 . . . . 78 ASP CB . 15451 1 552 . 1 1 45 45 ASP N N 15 117.235 0.500 . 1 . . . . 78 ASP N . 15451 1 553 . 1 1 46 46 ARG H H 1 7.694 0.050 . 1 . . . . 79 ARG HN . 15451 1 554 . 1 1 46 46 ARG HA H 1 5.014 0.050 . 1 . . . . 79 ARG HA . 15451 1 555 . 1 1 46 46 ARG HB2 H 1 1.743 0.050 . 1 . . . . 79 ARG HB2 . 15451 1 556 . 1 1 46 46 ARG HB3 H 1 2.115 0.050 . 1 . . . . 79 ARG HB3 . 15451 1 557 . 1 1 46 46 ARG HD2 H 1 3.295 0.050 . 1 . . . . 79 ARG HD2 . 15451 1 558 . 1 1 46 46 ARG HD3 H 1 3.234 0.050 . 1 . . . . 79 ARG HD3 . 15451 1 559 . 1 1 46 46 ARG HG2 H 1 1.736 0.050 . 1 . . . . 79 ARG HG2 . 15451 1 560 . 1 1 46 46 ARG HG3 H 1 1.639 0.050 . 1 . . . . 79 ARG HG3 . 15451 1 561 . 1 1 46 46 ARG C C 13 176.216 0.300 . 1 . . . . 79 ARG CO . 15451 1 562 . 1 1 46 46 ARG CA C 13 53.949 0.300 . 1 . . . . 79 ARG CA . 15451 1 563 . 1 1 46 46 ARG CB C 13 34.922 0.300 . 1 . . . . 79 ARG CB . 15451 1 564 . 1 1 46 46 ARG CD C 13 44.176 0.300 . 1 . . . . 79 ARG CD . 15451 1 565 . 1 1 46 46 ARG CG C 13 27.497 0.300 . 1 . . . . 79 ARG CG . 15451 1 566 . 1 1 46 46 ARG N N 15 117.992 0.500 . 1 . . . . 79 ARG N . 15451 1 567 . 1 1 47 47 SER H H 1 9.415 0.050 . 1 . . . . 80 SER HN . 15451 1 568 . 1 1 47 47 SER HA H 1 4.912 0.050 . 1 . . . . 80 SER HA . 15451 1 569 . 1 1 47 47 SER HB2 H 1 4.818 0.050 . 1 . . . . 80 SER HB2 . 15451 1 570 . 1 1 47 47 SER HB3 H 1 3.635 0.050 . 1 . . . . 80 SER HB3 . 15451 1 571 . 1 1 47 47 SER C C 13 177.124 0.300 . 1 . . . . 80 SER CO . 15451 1 572 . 1 1 47 47 SER CA C 13 57.048 0.300 . 1 . . . . 80 SER CA . 15451 1 573 . 1 1 47 47 SER CB C 13 66.137 0.300 . 1 . . . . 80 SER CB . 15451 1 574 . 1 1 47 47 SER N N 15 119.911 0.500 . 1 . . . . 80 SER N . 15451 1 575 . 1 1 48 48 LEU H H 1 9.280 0.050 . 1 . . . . 81 LEU HN . 15451 1 576 . 1 1 48 48 LEU HA H 1 4.127 0.050 . 1 . . . . 81 LEU HA . 15451 1 577 . 1 1 48 48 LEU HB2 H 1 2.082 0.050 . 1 . . . . 81 LEU HB2 . 15451 1 578 . 1 1 48 48 LEU HB3 H 1 1.321 0.050 . 1 . . . . 81 LEU HB3 . 15451 1 579 . 1 1 48 48 LEU HD11 H 1 0.807 0.050 . 2 . . . . 81 LEU HD1 . 15451 1 580 . 1 1 48 48 LEU HD12 H 1 0.807 0.050 . 2 . . . . 81 LEU HD1 . 15451 1 581 . 1 1 48 48 LEU HD13 H 1 0.807 0.050 . 2 . . . . 81 LEU HD1 . 15451 1 582 . 1 1 48 48 LEU HD21 H 1 0.933 0.050 . 2 . . . . 81 LEU HD2 . 15451 1 583 . 1 1 48 48 LEU HD22 H 1 0.933 0.050 . 2 . . . . 81 LEU HD2 . 15451 1 584 . 1 1 48 48 LEU HD23 H 1 0.933 0.050 . 2 . . . . 81 LEU HD2 . 15451 1 585 . 1 1 48 48 LEU C C 13 179.349 0.300 . 1 . . . . 81 LEU CO . 15451 1 586 . 1 1 48 48 LEU CA C 13 58.522 0.300 . 1 . . . . 81 LEU CA . 15451 1 587 . 1 1 48 48 LEU CB C 13 41.919 0.300 . 1 . . . . 81 LEU CB . 15451 1 588 . 1 1 48 48 LEU CD1 C 13 22.993 0.300 . 1 . . . . 81 LEU CD1 . 15451 1 589 . 1 1 48 48 LEU CD2 C 13 26.930 0.300 . 1 . . . . 81 LEU CD2 . 15451 1 590 . 1 1 48 48 LEU N N 15 120.974 0.500 . 1 . . . . 81 LEU N . 15451 1 591 . 1 1 49 49 PHE H H 1 8.442 0.050 . 1 . . . . 82 PHE HN . 15451 1 592 . 1 1 49 49 PHE HA H 1 4.636 0.050 . 1 . . . . 82 PHE HA . 15451 1 593 . 1 1 49 49 PHE HB2 H 1 3.062 0.050 . 1 . . . . 82 PHE HB2 . 15451 1 594 . 1 1 49 49 PHE HB3 H 1 3.185 0.050 . 1 . . . . 82 PHE HB3 . 15451 1 595 . 1 1 49 49 PHE HD1 H 1 7.517 0.050 . 3 . . . . 82 PHE HD . 15451 1 596 . 1 1 49 49 PHE HD2 H 1 7.517 0.050 . 3 . . . . 82 PHE HD . 15451 1 597 . 1 1 49 49 PHE HE1 H 1 7.435 0.050 . 3 . . . . 82 PHE HE . 15451 1 598 . 1 1 49 49 PHE HE2 H 1 7.435 0.050 . 3 . . . . 82 PHE HE . 15451 1 599 . 1 1 49 49 PHE C C 13 179.630 0.300 . 1 . . . . 82 PHE CO . 15451 1 600 . 1 1 49 49 PHE CA C 13 61.135 0.300 . 1 . . . . 82 PHE CA . 15451 1 601 . 1 1 49 49 PHE CB C 13 40.322 0.300 . 1 . . . . 82 PHE CB . 15451 1 602 . 1 1 49 49 PHE CD1 C 13 132.766 0.300 . 3 . . . . 82 PHE CD . 15451 1 603 . 1 1 49 49 PHE CD2 C 13 132.766 0.300 . 3 . . . . 82 PHE CD . 15451 1 604 . 1 1 49 49 PHE CE1 C 13 131.485 0.300 . 3 . . . . 82 PHE CE . 15451 1 605 . 1 1 49 49 PHE CE2 C 13 131.485 0.300 . 3 . . . . 82 PHE CE . 15451 1 606 . 1 1 49 49 PHE N N 15 121.713 0.500 . 1 . . . . 82 PHE N . 15451 1 607 . 1 1 50 50 ASP H H 1 8.368 0.050 . 1 . . . . 83 ASP HN . 15451 1 608 . 1 1 50 50 ASP HA H 1 4.536 0.050 . 1 . . . . 83 ASP HA . 15451 1 609 . 1 1 50 50 ASP HB2 H 1 2.887 0.050 . 2 . . . . 83 ASP HB . 15451 1 610 . 1 1 50 50 ASP HB3 H 1 2.887 0.050 . 2 . . . . 83 ASP HB . 15451 1 611 . 1 1 50 50 ASP C C 13 177.056 0.300 . 1 . . . . 83 ASP CO . 15451 1 612 . 1 1 50 50 ASP CA C 13 56.009 0.300 . 1 . . . . 83 ASP CA . 15451 1 613 . 1 1 50 50 ASP CB C 13 41.462 0.300 . 1 . . . . 83 ASP CB . 15451 1 614 . 1 1 50 50 ASP N N 15 119.005 0.500 . 1 . . . . 83 ASP N . 15451 1 615 . 1 1 51 51 GLN H H 1 7.411 0.050 . 1 . . . . 84 GLN HN . 15451 1 616 . 1 1 51 51 GLN HA H 1 4.529 0.050 . 1 . . . . 84 GLN HA . 15451 1 617 . 1 1 51 51 GLN HB2 H 1 1.842 0.050 . 1 . . . . 84 GLN HB2 . 15451 1 618 . 1 1 51 51 GLN HB3 H 1 2.587 0.050 . 1 . . . . 84 GLN HB3 . 15451 1 619 . 1 1 51 51 GLN HE21 H 1 6.399 0.050 . 1 . . . . 84 GLN HE21 . 15451 1 620 . 1 1 51 51 GLN HE22 H 1 6.921 0.050 . 1 . . . . 84 GLN HE22 . 15451 1 621 . 1 1 51 51 GLN HG2 H 1 2.667 0.050 . 1 . . . . 84 GLN HG2 . 15451 1 622 . 1 1 51 51 GLN HG3 H 1 2.103 0.050 . 1 . . . . 84 GLN HG3 . 15451 1 623 . 1 1 51 51 GLN C C 13 174.726 0.300 . 1 . . . . 84 GLN CO . 15451 1 624 . 1 1 51 51 GLN CA C 13 55.714 0.300 . 1 . . . . 84 GLN CA . 15451 1 625 . 1 1 51 51 GLN CB C 13 29.767 0.300 . 1 . . . . 84 GLN CB . 15451 1 626 . 1 1 51 51 GLN CD C 13 181.072 0.300 . 1 . . . . 84 GLN CD . 15451 1 627 . 1 1 51 51 GLN CG C 13 36.918 0.300 . 1 . . . . 84 GLN CG . 15451 1 628 . 1 1 51 51 GLN N N 15 116.351 0.500 . 1 . . . . 84 GLN N . 15451 1 629 . 1 1 51 51 GLN NE2 N 15 112.285 0.500 . 1 . . . . 84 GLN NE2 . 15451 1 630 . 1 1 52 52 GLY H H 1 7.172 0.050 . 1 . . . . 85 GLY HN . 15451 1 631 . 1 1 52 52 GLY HA2 H 1 4.448 0.050 . 1 . . . . 85 GLY HA2 . 15451 1 632 . 1 1 52 52 GLY HA3 H 1 3.545 0.050 . 1 . . . . 85 GLY HA3 . 15451 1 633 . 1 1 52 52 GLY C C 13 173.892 0.300 . 1 . . . . 85 GLY CO . 15451 1 634 . 1 1 52 52 GLY CA C 13 45.782 0.300 . 1 . . . . 85 GLY CA . 15451 1 635 . 1 1 52 52 GLY N N 15 103.700 0.500 . 1 . . . . 85 GLY N . 15451 1 636 . 1 1 53 53 VAL H H 1 8.022 0.050 . 1 . . . . 86 VAL HN . 15451 1 637 . 1 1 53 53 VAL HA H 1 4.042 0.050 . 1 . . . . 86 VAL HA . 15451 1 638 . 1 1 53 53 VAL HB H 1 1.923 0.050 . 1 . . . . 86 VAL HB . 15451 1 639 . 1 1 53 53 VAL HG11 H 1 0.682 0.050 . 2 . . . . 86 VAL HG1 . 15451 1 640 . 1 1 53 53 VAL HG12 H 1 0.682 0.050 . 2 . . . . 86 VAL HG1 . 15451 1 641 . 1 1 53 53 VAL HG13 H 1 0.682 0.050 . 2 . . . . 86 VAL HG1 . 15451 1 642 . 1 1 53 53 VAL HG21 H 1 0.850 0.050 . 2 . . . . 86 VAL HG2 . 15451 1 643 . 1 1 53 53 VAL HG22 H 1 0.850 0.050 . 2 . . . . 86 VAL HG2 . 15451 1 644 . 1 1 53 53 VAL HG23 H 1 0.850 0.050 . 2 . . . . 86 VAL HG2 . 15451 1 645 . 1 1 53 53 VAL C C 13 173.892 0.300 . 1 . . . . 86 VAL CO . 15451 1 646 . 1 1 53 53 VAL CA C 13 62.024 0.300 . 1 . . . . 86 VAL CA . 15451 1 647 . 1 1 53 53 VAL CB C 13 29.836 0.300 . 1 . . . . 86 VAL CB . 15451 1 648 . 1 1 53 53 VAL CG1 C 13 20.004 0.300 . 1 . . . . 86 VAL CG1 . 15451 1 649 . 1 1 53 53 VAL CG2 C 13 22.315 0.300 . 1 . . . . 86 VAL CG2 . 15451 1 650 . 1 1 53 53 VAL N N 15 123.486 0.500 . 1 . . . . 86 VAL N . 15451 1 651 . 1 1 54 54 LYS H H 1 7.917 0.050 . 1 . . . . 87 LYS HN . 15451 1 652 . 1 1 54 54 LYS HA H 1 4.292 0.050 . 1 . . . . 87 LYS HA . 15451 1 653 . 1 1 54 54 LYS HB2 H 1 1.798 0.050 . 1 . . . . 87 LYS HB2 . 15451 1 654 . 1 1 54 54 LYS HB3 H 1 1.678 0.050 . 1 . . . . 87 LYS HB3 . 15451 1 655 . 1 1 54 54 LYS HD2 H 1 1.235 0.050 . 1 . . . . 87 LYS HD2 . 15451 1 656 . 1 1 54 54 LYS HD3 H 1 1.144 0.050 . 1 . . . . 87 LYS HD3 . 15451 1 657 . 1 1 54 54 LYS HE2 H 1 2.801 0.050 . 1 . . . . 87 LYS HE2 . 15451 1 658 . 1 1 54 54 LYS HE3 H 1 2.700 0.050 . 1 . . . . 87 LYS HE3 . 15451 1 659 . 1 1 54 54 LYS HG2 H 1 1.283 0.050 . 1 . . . . 87 LYS HG2 . 15451 1 660 . 1 1 54 54 LYS HG3 H 1 0.974 0.050 . 1 . . . . 87 LYS HG3 . 15451 1 661 . 1 1 54 54 LYS C C 13 175.786 0.300 . 1 . . . . 87 LYS CO . 15451 1 662 . 1 1 54 54 LYS CA C 13 55.055 0.300 . 1 . . . . 87 LYS CA . 15451 1 663 . 1 1 54 54 LYS CB C 13 30.200 0.300 . 1 . . . . 87 LYS CB . 15451 1 664 . 1 1 54 54 LYS CD C 13 28.515 0.300 . 1 . . . . 87 LYS CD . 15451 1 665 . 1 1 54 54 LYS CE C 13 42.570 0.300 . 1 . . . . 87 LYS CE . 15451 1 666 . 1 1 54 54 LYS CG C 13 23.920 0.300 . 1 . . . . 87 LYS CG . 15451 1 667 . 1 1 54 54 LYS N N 15 124.537 0.500 . 1 . . . . 87 LYS N . 15451 1 668 . 1 1 55 55 THR H H 1 7.608 0.050 . 1 . . . . 88 THR HN . 15451 1 669 . 1 1 55 55 THR HA H 1 4.630 0.050 . 1 . . . . 88 THR HA . 15451 1 670 . 1 1 55 55 THR HB H 1 4.263 0.050 . 1 . . . . 88 THR HB . 15451 1 671 . 1 1 55 55 THR HG21 H 1 1.021 0.050 . 1 . . . . 88 THR HG2 . 15451 1 672 . 1 1 55 55 THR HG22 H 1 1.021 0.050 . 1 . . . . 88 THR HG2 . 15451 1 673 . 1 1 55 55 THR HG23 H 1 1.021 0.050 . 1 . . . . 88 THR HG2 . 15451 1 674 . 1 1 55 55 THR C C 13 171.054 0.300 . 1 . . . . 88 THR CO . 15451 1 675 . 1 1 55 55 THR CA C 13 60.166 0.300 . 1 . . . . 88 THR CA . 15451 1 676 . 1 1 55 55 THR CB C 13 68.434 0.300 . 1 . . . . 88 THR CB . 15451 1 677 . 1 1 55 55 THR CG2 C 13 19.327 0.300 . 1 . . . . 88 THR CG2 . 15451 1 678 . 1 1 55 55 THR N N 15 119.508 0.500 . 1 . . . . 88 THR N . 15451 1 679 . 1 1 56 56 ASP H H 1 8.429 0.050 . 1 . . . . 89 ASP HN . 15451 1 680 . 1 1 56 56 ASP HA H 1 5.017 0.050 . 1 . . . . 89 ASP HA . 15451 1 681 . 1 1 56 56 ASP HB2 H 1 2.618 0.050 . 2 . . . . 89 ASP HB . 15451 1 682 . 1 1 56 56 ASP HB3 H 1 2.618 0.050 . 2 . . . . 89 ASP HB . 15451 1 683 . 1 1 56 56 ASP C C 13 175.334 0.300 . 1 . . . . 89 ASP CO . 15451 1 684 . 1 1 56 56 ASP CA C 13 53.375 0.300 . 1 . . . . 89 ASP CA . 15451 1 685 . 1 1 56 56 ASP CB C 13 44.546 0.300 . 1 . . . . 89 ASP CB . 15451 1 686 . 1 1 56 56 ASP N N 15 119.681 0.500 . 1 . . . . 89 ASP N . 15451 1 687 . 1 1 57 57 GLY H H 1 8.389 0.050 . 1 . . . . 90 GLY HN . 15451 1 688 . 1 1 57 57 GLY HA2 H 1 4.082 0.050 . 1 . . . . 90 GLY HA2 . 15451 1 689 . 1 1 57 57 GLY HA3 H 1 3.921 0.050 . 1 . . . . 90 GLY HA3 . 15451 1 690 . 1 1 57 57 GLY C C 13 172.844 0.300 . 1 . . . . 90 GLY CO . 15451 1 691 . 1 1 57 57 GLY CA C 13 45.909 0.300 . 1 . . . . 90 GLY CA . 15451 1 692 . 1 1 57 57 GLY N N 15 108.813 0.500 . 1 . . . . 90 GLY N . 15451 1 693 . 1 1 58 58 THR H H 1 8.229 0.050 . 1 . . . . 91 THR HN . 15451 1 694 . 1 1 58 58 THR HA H 1 4.707 0.050 . 1 . . . . 91 THR HA . 15451 1 695 . 1 1 58 58 THR HB H 1 3.998 0.050 . 1 . . . . 91 THR HB . 15451 1 696 . 1 1 58 58 THR HG21 H 1 1.202 0.050 . 1 . . . . 91 THR HG2 . 15451 1 697 . 1 1 58 58 THR HG22 H 1 1.202 0.050 . 1 . . . . 91 THR HG2 . 15451 1 698 . 1 1 58 58 THR HG23 H 1 1.202 0.050 . 1 . . . . 91 THR HG2 . 15451 1 699 . 1 1 58 58 THR C C 13 175.188 0.300 . 1 . . . . 91 THR CO . 15451 1 700 . 1 1 58 58 THR CA C 13 62.966 0.300 . 1 . . . . 91 THR CA . 15451 1 701 . 1 1 58 58 THR CB C 13 69.842 0.300 . 1 . . . . 91 THR CB . 15451 1 702 . 1 1 58 58 THR CG2 C 13 22.536 0.300 . 1 . . . . 91 THR CG2 . 15451 1 703 . 1 1 58 58 THR N N 15 116.382 0.500 . 1 . . . . 91 THR N . 15451 1 704 . 1 1 59 59 VAL H H 1 9.062 0.050 . 1 . . . . 92 VAL HN . 15451 1 705 . 1 1 59 59 VAL HA H 1 4.966 0.050 . 1 . . . . 92 VAL HA . 15451 1 706 . 1 1 59 59 VAL HB H 1 1.998 0.050 . 1 . . . . 92 VAL HB . 15451 1 707 . 1 1 59 59 VAL HG11 H 1 0.797 0.050 . 2 . . . . 92 VAL HG1 . 15451 1 708 . 1 1 59 59 VAL HG12 H 1 0.797 0.050 . 2 . . . . 92 VAL HG1 . 15451 1 709 . 1 1 59 59 VAL HG13 H 1 0.797 0.050 . 2 . . . . 92 VAL HG1 . 15451 1 710 . 1 1 59 59 VAL HG21 H 1 0.819 0.050 . 2 . . . . 92 VAL HG2 . 15451 1 711 . 1 1 59 59 VAL HG22 H 1 0.819 0.050 . 2 . . . . 92 VAL HG2 . 15451 1 712 . 1 1 59 59 VAL HG23 H 1 0.819 0.050 . 2 . . . . 92 VAL HG2 . 15451 1 713 . 1 1 59 59 VAL C C 13 173.442 0.300 . 1 . . . . 92 VAL CO . 15451 1 714 . 1 1 59 59 VAL CA C 13 58.901 0.300 . 1 . . . . 92 VAL CA . 15451 1 715 . 1 1 59 59 VAL CB C 13 35.286 0.300 . 1 . . . . 92 VAL CB . 15451 1 716 . 1 1 59 59 VAL CG1 C 13 18.913 0.300 . 1 . . . . 92 VAL CG1 . 15451 1 717 . 1 1 59 59 VAL CG2 C 13 23.147 0.300 . 1 . . . . 92 VAL CG2 . 15451 1 718 . 1 1 59 59 VAL N N 15 118.935 0.500 . 1 . . . . 92 VAL N . 15451 1 719 . 1 1 60 60 GLN H H 1 9.234 0.050 . 1 . . . . 93 GLN HN . 15451 1 720 . 1 1 60 60 GLN HA H 1 4.498 0.050 . 1 . . . . 93 GLN HA . 15451 1 721 . 1 1 60 60 GLN HB2 H 1 1.968 0.050 . 2 . . . . 93 GLN HB . 15451 1 722 . 1 1 60 60 GLN HB3 H 1 1.968 0.050 . 2 . . . . 93 GLN HB . 15451 1 723 . 1 1 60 60 GLN HE21 H 1 7.404 0.050 . 1 . . . . 93 GLN HE21 . 15451 1 724 . 1 1 60 60 GLN HE22 H 1 6.684 0.050 . 1 . . . . 93 GLN HE22 . 15451 1 725 . 1 1 60 60 GLN HG2 H 1 2.224 0.050 . 1 . . . . 93 GLN HG2 . 15451 1 726 . 1 1 60 60 GLN HG3 H 1 2.098 0.050 . 1 . . . . 93 GLN HG3 . 15451 1 727 . 1 1 60 60 GLN C C 13 175.272 0.300 . 1 . . . . 93 GLN CO . 15451 1 728 . 1 1 60 60 GLN CA C 13 54.978 0.300 . 1 . . . . 93 GLN CA . 15451 1 729 . 1 1 60 60 GLN CB C 13 30.204 0.300 . 1 . . . . 93 GLN CB . 15451 1 730 . 1 1 60 60 GLN CD C 13 179.369 0.300 . 1 . . . . 93 GLN CD . 15451 1 731 . 1 1 60 60 GLN CG C 13 33.748 0.300 . 1 . . . . 93 GLN CG . 15451 1 732 . 1 1 60 60 GLN N N 15 119.943 0.500 . 1 . . . . 93 GLN N . 15451 1 733 . 1 1 60 60 GLN NE2 N 15 110.549 0.500 . 1 . . . . 93 GLN NE2 . 15451 1 734 . 1 1 61 61 LEU H H 1 8.850 0.050 . 1 . . . . 94 LEU HN . 15451 1 735 . 1 1 61 61 LEU HA H 1 5.173 0.050 . 1 . . . . 94 LEU HA . 15451 1 736 . 1 1 61 61 LEU HB2 H 1 2.098 0.050 . 1 . . . . 94 LEU HB2 . 15451 1 737 . 1 1 61 61 LEU HB3 H 1 1.327 0.050 . 1 . . . . 94 LEU HB3 . 15451 1 738 . 1 1 61 61 LEU HD11 H 1 0.840 0.050 . 2 . . . . 94 LEU HD1 . 15451 1 739 . 1 1 61 61 LEU HD12 H 1 0.840 0.050 . 2 . . . . 94 LEU HD1 . 15451 1 740 . 1 1 61 61 LEU HD13 H 1 0.840 0.050 . 2 . . . . 94 LEU HD1 . 15451 1 741 . 1 1 61 61 LEU HD21 H 1 0.883 0.050 . 2 . . . . 94 LEU HD2 . 15451 1 742 . 1 1 61 61 LEU HD22 H 1 0.883 0.050 . 2 . . . . 94 LEU HD2 . 15451 1 743 . 1 1 61 61 LEU HD23 H 1 0.883 0.050 . 2 . . . . 94 LEU HD2 . 15451 1 744 . 1 1 61 61 LEU HG H 1 1.950 0.050 . 1 . . . . 94 LEU HG . 15451 1 745 . 1 1 61 61 LEU C C 13 177.125 0.300 . 1 . . . . 94 LEU CO . 15451 1 746 . 1 1 61 61 LEU CA C 13 53.267 0.300 . 1 . . . . 94 LEU CA . 15451 1 747 . 1 1 61 61 LEU CB C 13 44.142 0.300 . 1 . . . . 94 LEU CB . 15451 1 748 . 1 1 61 61 LEU CD1 C 13 24.624 0.300 . 1 . . . . 94 LEU CD1 . 15451 1 749 . 1 1 61 61 LEU CD2 C 13 26.910 0.300 . 1 . . . . 94 LEU CD2 . 15451 1 750 . 1 1 61 61 LEU CG C 13 26.890 0.300 . 1 . . . . 94 LEU CG . 15451 1 751 . 1 1 61 61 LEU N N 15 125.686 0.500 . 1 . . . . 94 LEU N . 15451 1 752 . 1 1 62 62 SER H H 1 8.162 0.050 . 1 . . . . 95 SER HN . 15451 1 753 . 1 1 62 62 SER HA H 1 5.057 0.050 . 1 . . . . 95 SER HA . 15451 1 754 . 1 1 62 62 SER HB2 H 1 3.854 0.050 . 2 . . . . 95 SER HB . 15451 1 755 . 1 1 62 62 SER HB3 H 1 3.854 0.050 . 2 . . . . 95 SER HB . 15451 1 756 . 1 1 62 62 SER C C 13 174.056 0.300 . 1 . . . . 95 SER CO . 15451 1 757 . 1 1 62 62 SER CA C 13 57.126 0.300 . 1 . . . . 95 SER CA . 15451 1 758 . 1 1 62 62 SER CB C 13 63.568 0.300 . 1 . . . . 95 SER CB . 15451 1 759 . 1 1 62 62 SER N N 15 117.605 0.500 . 1 . . . . 95 SER N . 15451 1 760 . 1 1 63 63 VAL H H 1 9.411 0.050 . 1 . . . . 96 VAL HN . 15451 1 761 . 1 1 63 63 VAL HA H 1 4.752 0.050 . 1 . . . . 96 VAL HA . 15451 1 762 . 1 1 63 63 VAL HB H 1 2.082 0.050 . 1 . . . . 96 VAL HB . 15451 1 763 . 1 1 63 63 VAL HG11 H 1 0.923 0.050 . 2 . . . . 96 VAL HG1 . 15451 1 764 . 1 1 63 63 VAL HG12 H 1 0.923 0.050 . 2 . . . . 96 VAL HG1 . 15451 1 765 . 1 1 63 63 VAL HG13 H 1 0.923 0.050 . 2 . . . . 96 VAL HG1 . 15451 1 766 . 1 1 63 63 VAL HG21 H 1 0.753 0.050 . 2 . . . . 96 VAL HG2 . 15451 1 767 . 1 1 63 63 VAL HG22 H 1 0.753 0.050 . 2 . . . . 96 VAL HG2 . 15451 1 768 . 1 1 63 63 VAL HG23 H 1 0.753 0.050 . 2 . . . . 96 VAL HG2 . 15451 1 769 . 1 1 63 63 VAL C C 13 173.839 0.300 . 1 . . . . 96 VAL CO . 15451 1 770 . 1 1 63 63 VAL CA C 13 61.170 0.300 . 1 . . . . 96 VAL CA . 15451 1 771 . 1 1 63 63 VAL CB C 13 34.656 0.300 . 1 . . . . 96 VAL CB . 15451 1 772 . 1 1 63 63 VAL CG1 C 13 22.396 0.300 . 1 . . . . 96 VAL CG1 . 15451 1 773 . 1 1 63 63 VAL CG2 C 13 22.230 0.300 . 1 . . . . 96 VAL CG2 . 15451 1 774 . 1 1 63 63 VAL N N 15 126.746 0.500 . 1 . . . . 96 VAL N . 15451 1 775 . 1 1 64 64 GLN H H 1 9.468 0.050 . 1 . . . . 97 GLN HN . 15451 1 776 . 1 1 64 64 GLN HA H 1 4.997 0.050 . 1 . . . . 97 GLN HA . 15451 1 777 . 1 1 64 64 GLN HB2 H 1 2.106 0.050 . 1 . . . . 97 GLN HB2 . 15451 1 778 . 1 1 64 64 GLN HB3 H 1 2.319 0.050 . 1 . . . . 97 GLN HB3 . 15451 1 779 . 1 1 64 64 GLN HE21 H 1 7.581 0.050 . 1 . . . . 97 GLN HE21 . 15451 1 780 . 1 1 64 64 GLN HE22 H 1 6.855 0.050 . 1 . . . . 97 GLN HE22 . 15451 1 781 . 1 1 64 64 GLN HG2 H 1 2.431 0.050 . 1 . . . . 97 GLN HG2 . 15451 1 782 . 1 1 64 64 GLN HG3 H 1 2.179 0.050 . 1 . . . . 97 GLN HG3 . 15451 1 783 . 1 1 64 64 GLN C C 13 174.700 0.300 . 1 . . . . 97 GLN CO . 15451 1 784 . 1 1 64 64 GLN CA C 13 54.573 0.300 . 1 . . . . 97 GLN CA . 15451 1 785 . 1 1 64 64 GLN CB C 13 31.475 0.300 . 1 . . . . 97 GLN CB . 15451 1 786 . 1 1 64 64 GLN CD C 13 179.171 0.300 . 1 . . . . 97 GLN CD . 15451 1 787 . 1 1 64 64 GLN CG C 13 34.464 0.300 . 1 . . . . 97 GLN CG . 15451 1 788 . 1 1 64 64 GLN N N 15 128.141 0.500 . 1 . . . . 97 GLN N . 15451 1 789 . 1 1 64 64 GLN NE2 N 15 111.527 0.500 . 1 . . . . 97 GLN NE2 . 15451 1 790 . 1 1 65 65 VAL H H 1 9.018 0.050 . 1 . . . . 98 VAL HN . 15451 1 791 . 1 1 65 65 VAL HA H 1 4.518 0.050 . 1 . . . . 98 VAL HA . 15451 1 792 . 1 1 65 65 VAL HB H 1 2.196 0.050 . 1 . . . . 98 VAL HB . 15451 1 793 . 1 1 65 65 VAL HG11 H 1 0.882 0.050 . 2 . . . . 98 VAL HG1 . 15451 1 794 . 1 1 65 65 VAL HG12 H 1 0.882 0.050 . 2 . . . . 98 VAL HG1 . 15451 1 795 . 1 1 65 65 VAL HG13 H 1 0.882 0.050 . 2 . . . . 98 VAL HG1 . 15451 1 796 . 1 1 65 65 VAL HG21 H 1 0.873 0.050 . 2 . . . . 98 VAL HG2 . 15451 1 797 . 1 1 65 65 VAL HG22 H 1 0.873 0.050 . 2 . . . . 98 VAL HG2 . 15451 1 798 . 1 1 65 65 VAL HG23 H 1 0.873 0.050 . 2 . . . . 98 VAL HG2 . 15451 1 799 . 1 1 65 65 VAL C C 13 175.371 0.300 . 1 . . . . 98 VAL CO . 15451 1 800 . 1 1 65 65 VAL CA C 13 62.289 0.300 . 1 . . . . 98 VAL CA . 15451 1 801 . 1 1 65 65 VAL CB C 13 31.878 0.300 . 1 . . . . 98 VAL CB . 15451 1 802 . 1 1 65 65 VAL CG1 C 13 20.811 0.300 . 1 . . . . 98 VAL CG1 . 15451 1 803 . 1 1 65 65 VAL CG2 C 13 21.132 0.300 . 1 . . . . 98 VAL CG2 . 15451 1 804 . 1 1 65 65 VAL N N 15 128.814 0.500 . 1 . . . . 98 VAL N . 15451 1 805 . 1 1 66 66 ILE H H 1 9.060 0.050 . 1 . . . . 99 ILE HN . 15451 1 806 . 1 1 66 66 ILE HA H 1 4.445 0.050 . 1 . . . . 99 ILE HA . 15451 1 807 . 1 1 66 66 ILE HB H 1 1.948 0.050 . 1 . . . . 99 ILE HB . 15451 1 808 . 1 1 66 66 ILE HD11 H 1 0.880 0.050 . 1 . . . . 99 ILE HD1 . 15451 1 809 . 1 1 66 66 ILE HD12 H 1 0.880 0.050 . 1 . . . . 99 ILE HD1 . 15451 1 810 . 1 1 66 66 ILE HD13 H 1 0.880 0.050 . 1 . . . . 99 ILE HD1 . 15451 1 811 . 1 1 66 66 ILE HG12 H 1 1.146 0.050 . 1 . . . . 99 ILE HG12 . 15451 1 812 . 1 1 66 66 ILE HG13 H 1 1.489 0.050 . 1 . . . . 99 ILE HG13 . 15451 1 813 . 1 1 66 66 ILE HG21 H 1 0.909 0.050 . 1 . . . . 99 ILE HG2 . 15451 1 814 . 1 1 66 66 ILE HG22 H 1 0.909 0.050 . 1 . . . . 99 ILE HG2 . 15451 1 815 . 1 1 66 66 ILE HG23 H 1 0.909 0.050 . 1 . . . . 99 ILE HG2 . 15451 1 816 . 1 1 66 66 ILE C C 13 174.888 0.300 . 1 . . . . 99 ILE CO . 15451 1 817 . 1 1 66 66 ILE CA C 13 60.490 0.300 . 1 . . . . 99 ILE CA . 15451 1 818 . 1 1 66 66 ILE CB C 13 39.629 0.300 . 1 . . . . 99 ILE CB . 15451 1 819 . 1 1 66 66 ILE CD1 C 13 13.196 0.300 . 1 . . . . 99 ILE CD1 . 15451 1 820 . 1 1 66 66 ILE CG1 C 13 27.371 0.300 . 1 . . . . 99 ILE CG1 . 15451 1 821 . 1 1 66 66 ILE CG2 C 13 17.766 0.300 . 1 . . . . 99 ILE CG2 . 15451 1 822 . 1 1 66 66 ILE N N 15 128.872 0.500 . 1 . . . . 99 ILE N . 15451 1 823 . 1 1 67 67 SER H H 1 8.275 0.050 . 1 . . . . 100 SER HN . 15451 1 824 . 1 1 67 67 SER HA H 1 4.720 0.050 . 1 . . . . 100 SER HA . 15451 1 825 . 1 1 67 67 SER HB2 H 1 3.694 0.050 . 1 . . . . 100 SER HB2 . 15451 1 826 . 1 1 67 67 SER HB3 H 1 3.931 0.050 . 1 . . . . 100 SER HB3 . 15451 1 827 . 1 1 67 67 SER C C 13 173.692 0.300 . 1 . . . . 100 SER CO . 15451 1 828 . 1 1 67 67 SER CA C 13 56.644 0.300 . 1 . . . . 100 SER CA . 15451 1 829 . 1 1 67 67 SER CB C 13 64.119 0.300 . 1 . . . . 100 SER CB . 15451 1 830 . 1 1 67 67 SER N N 15 120.518 0.500 . 1 . . . . 100 SER N . 15451 1 831 . 1 1 68 68 TYR H H 1 7.882 0.050 . 1 . . . . 101 TYR HN . 15451 1 832 . 1 1 68 68 TYR HA H 1 4.662 0.050 . 1 . . . . 101 TYR HA . 15451 1 833 . 1 1 68 68 TYR HB2 H 1 3.152 0.050 . 1 . . . . 101 TYR HB1 . 15451 1 834 . 1 1 68 68 TYR HB3 H 1 2.895 0.050 . 1 . . . . 101 TYR HB2 . 15451 1 835 . 1 1 68 68 TYR HD1 H 1 7.214 0.050 . 3 . . . . 101 TYR HD . 15451 1 836 . 1 1 68 68 TYR HD2 H 1 7.214 0.050 . 3 . . . . 101 TYR HD . 15451 1 837 . 1 1 68 68 TYR HE1 H 1 6.873 0.050 . 3 . . . . 101 TYR HE . 15451 1 838 . 1 1 68 68 TYR HE2 H 1 6.873 0.050 . 3 . . . . 101 TYR HE . 15451 1 839 . 1 1 68 68 TYR C C 13 175.785 0.300 . 1 . . . . 101 TYR CO . 15451 1 840 . 1 1 68 68 TYR CA C 13 57.183 0.300 . 1 . . . . 101 TYR CA . 15451 1 841 . 1 1 68 68 TYR CB C 13 39.435 0.300 . 1 . . . . 101 TYR CB . 15451 1 842 . 1 1 68 68 TYR CD1 C 13 133.456 0.300 . 3 . . . . 101 TYR CD . 15451 1 843 . 1 1 68 68 TYR CD2 C 13 133.456 0.300 . 3 . . . . 101 TYR CD . 15451 1 844 . 1 1 68 68 TYR CE1 C 13 118.397 0.300 . 3 . . . . 101 TYR CE . 15451 1 845 . 1 1 68 68 TYR CE2 C 13 118.397 0.300 . 3 . . . . 101 TYR CE . 15451 1 846 . 1 1 68 68 TYR N N 15 122.086 0.500 . 1 . . . . 101 TYR N . 15451 1 847 . 1 1 69 69 GLN H H 1 8.607 0.050 . 1 . . . . 102 GLN HN . 15451 1 848 . 1 1 69 69 GLN HA H 1 4.143 0.050 . 1 . . . . 102 GLN HA . 15451 1 849 . 1 1 69 69 GLN HB2 H 1 2.085 0.050 . 2 . . . . 102 GLN HB . 15451 1 850 . 1 1 69 69 GLN HB3 H 1 2.085 0.050 . 2 . . . . 102 GLN HB . 15451 1 851 . 1 1 69 69 GLN HE21 H 1 7.541 0.050 . 1 . . . . 102 GLN HE21 . 15451 1 852 . 1 1 69 69 GLN HE22 H 1 6.890 0.050 . 1 . . . . 102 GLN HE22 . 15451 1 853 . 1 1 69 69 GLN HG2 H 1 2.394 0.050 . 2 . . . . 102 GLN HG . 15451 1 854 . 1 1 69 69 GLN HG3 H 1 2.394 0.050 . 2 . . . . 102 GLN HG . 15451 1 855 . 1 1 69 69 GLN C C 13 176.755 0.300 . 1 . . . . 102 GLN CO . 15451 1 856 . 1 1 69 69 GLN CA C 13 57.513 0.300 . 1 . . . . 102 GLN CA . 15451 1 857 . 1 1 69 69 GLN CB C 13 28.485 0.300 . 1 . . . . 102 GLN CB . 15451 1 858 . 1 1 69 69 GLN CD C 13 180.417 0.300 . 1 . . . . 102 GLN CD . 15451 1 859 . 1 1 69 69 GLN CG C 13 33.749 0.300 . 1 . . . . 102 GLN CG . 15451 1 860 . 1 1 69 69 GLN N N 15 122.523 0.500 . 1 . . . . 102 GLN N . 15451 1 861 . 1 1 69 69 GLN NE2 N 15 112.050 0.500 . 1 . . . . 102 GLN NE2 . 15451 1 862 . 1 1 70 70 GLY H H 1 8.738 0.050 . 1 . . . . 103 GLY HN . 15451 1 863 . 1 1 70 70 GLY HA2 H 1 4.207 0.050 . 1 . . . . 103 GLY HA2 . 15451 1 864 . 1 1 70 70 GLY HA3 H 1 3.756 0.050 . 1 . . . . 103 GLY HA3 . 15451 1 865 . 1 1 70 70 GLY C C 13 173.643 0.300 . 1 . . . . 103 GLY CO . 15451 1 866 . 1 1 70 70 GLY CA C 13 45.471 0.300 . 1 . . . . 103 GLY CA . 15451 1 867 . 1 1 70 70 GLY N N 15 111.544 0.500 . 1 . . . . 103 GLY N . 15451 1 868 . 1 1 71 71 MET H H 1 7.760 0.050 . 1 . . . . 104 MET HN . 15451 1 869 . 1 1 71 71 MET HA H 1 4.763 0.050 . 1 . . . . 104 MET HA . 15451 1 870 . 1 1 71 71 MET HB2 H 1 2.070 0.050 . 1 . . . . 104 MET HB2 . 15451 1 871 . 1 1 71 71 MET HB3 H 1 1.940 0.050 . 1 . . . . 104 MET HB3 . 15451 1 872 . 1 1 71 71 MET HE1 H 1 2.130 0.050 . 1 . . . . 104 MET HE . 15451 1 873 . 1 1 71 71 MET HE2 H 1 2.130 0.050 . 1 . . . . 104 MET HE . 15451 1 874 . 1 1 71 71 MET HE3 H 1 2.130 0.050 . 1 . . . . 104 MET HE . 15451 1 875 . 1 1 71 71 MET HG2 H 1 2.487 0.050 . 2 . . . . 104 MET HG . 15451 1 876 . 1 1 71 71 MET HG3 H 1 2.487 0.050 . 2 . . . . 104 MET HG . 15451 1 877 . 1 1 71 71 MET C C 13 175.450 0.300 . 1 . . . . 104 MET CO . 15451 1 878 . 1 1 71 71 MET CA C 13 53.993 0.300 . 1 . . . . 104 MET CA . 15451 1 879 . 1 1 71 71 MET CB C 13 34.735 0.300 . 1 . . . . 104 MET CB . 15451 1 880 . 1 1 71 71 MET CE C 13 17.295 0.300 . 1 . . . . 104 MET CE . 15451 1 881 . 1 1 71 71 MET CG C 13 32.052 0.300 . 1 . . . . 104 MET CG . 15451 1 882 . 1 1 71 71 MET N N 15 118.042 0.500 . 1 . . . . 104 MET N . 15451 1 883 . 1 1 72 72 GLU H H 1 8.603 0.050 . 1 . . . . 105 GLU HN . 15451 1 884 . 1 1 72 72 GLU HA H 1 4.505 0.050 . 1 . . . . 105 GLU HA . 15451 1 885 . 1 1 72 72 GLU CA C 13 55.152 0.300 . 1 . . . . 105 GLU CA . 15451 1 886 . 1 1 72 72 GLU CB C 13 28.679 0.300 . 1 . . . . 105 GLU CB . 15451 1 887 . 1 1 72 72 GLU N N 15 123.382 0.500 . 1 . . . . 105 GLU N . 15451 1 888 . 1 1 73 73 PRO HA H 1 4.559 0.050 . 1 . . . . 106 PRO HA . 15451 1 889 . 1 1 73 73 PRO HB2 H 1 1.529 0.050 . 1 . . . . 106 PRO HB2 . 15451 1 890 . 1 1 73 73 PRO HB3 H 1 0.323 0.050 . 1 . . . . 106 PRO HB3 . 15451 1 891 . 1 1 73 73 PRO HD2 H 1 3.665 0.050 . 1 . . . . 106 PRO HD2 . 15451 1 892 . 1 1 73 73 PRO HG2 H 1 1.700 0.050 . 1 . . . . 106 PRO HG2 . 15451 1 893 . 1 1 73 73 PRO HG3 H 1 1.602 0.050 . 1 . . . . 106 PRO HG3 . 15451 1 894 . 1 1 73 73 PRO C C 13 176.935 0.300 . 1 . . . . 106 PRO CO . 15451 1 895 . 1 1 73 73 PRO CA C 13 62.852 0.300 . 1 . . . . 106 PRO CA . 15451 1 896 . 1 1 73 73 PRO CB C 13 29.828 0.300 . 1 . . . . 106 PRO CB . 15451 1 897 . 1 1 73 73 PRO CD C 13 50.337 0.300 . 1 . . . . 106 PRO CD . 15451 1 898 . 1 1 73 73 PRO CG C 13 27.127 0.300 . 1 . . . . 106 PRO CG . 15451 1 899 . 1 1 74 74 LYS H H 1 8.711 0.050 . 1 . . . . 107 LYS HN . 15451 1 900 . 1 1 74 74 LYS HA H 1 5.272 0.050 . 1 . . . . 107 LYS HA . 15451 1 901 . 1 1 74 74 LYS HB2 H 1 1.669 0.050 . 1 . . . . 107 LYS HB2 . 15451 1 902 . 1 1 74 74 LYS HB3 H 1 1.778 0.050 . 1 . . . . 107 LYS HB3 . 15451 1 903 . 1 1 74 74 LYS HD2 H 1 1.768 0.050 . 1 . . . . 107 LYS HD2 . 15451 1 904 . 1 1 74 74 LYS HD3 H 1 1.660 0.050 . 1 . . . . 107 LYS HD3 . 15451 1 905 . 1 1 74 74 LYS HE2 H 1 2.960 0.050 . 2 . . . . 107 LYS HE . 15451 1 906 . 1 1 74 74 LYS HE3 H 1 2.960 0.050 . 2 . . . . 107 LYS HE . 15451 1 907 . 1 1 74 74 LYS HG2 H 1 1.432 0.050 . 1 . . . . 107 LYS HG2 . 15451 1 908 . 1 1 74 74 LYS HG3 H 1 1.365 0.050 . 1 . . . . 107 LYS HG3 . 15451 1 909 . 1 1 74 74 LYS C C 13 174.832 0.300 . 1 . . . . 107 LYS CO . 15451 1 910 . 1 1 74 74 LYS CA C 13 55.277 0.300 . 1 . . . . 107 LYS CA . 15451 1 911 . 1 1 74 74 LYS CB C 13 37.919 0.300 . 1 . . . . 107 LYS CB . 15451 1 912 . 1 1 74 74 LYS CD C 13 29.876 0.300 . 1 . . . . 107 LYS CD . 15451 1 913 . 1 1 74 74 LYS CE C 13 42.357 0.300 . 1 . . . . 107 LYS CE . 15451 1 914 . 1 1 74 74 LYS CG C 13 24.841 0.300 . 1 . . . . 107 LYS CG . 15451 1 915 . 1 1 74 74 LYS N N 15 120.123 0.500 . 1 . . . . 107 LYS N . 15451 1 916 . 1 1 75 75 LEU H H 1 9.202 0.050 . 1 . . . . 108 LEU HN . 15451 1 917 . 1 1 75 75 LEU HA H 1 4.966 0.050 . 1 . . . . 108 LEU HA . 15451 1 918 . 1 1 75 75 LEU HB2 H 1 1.993 0.050 . 1 . . . . 108 LEU HB2 . 15451 1 919 . 1 1 75 75 LEU HB3 H 1 1.130 0.050 . 1 . . . . 108 LEU HB3 . 15451 1 920 . 1 1 75 75 LEU HD11 H 1 0.836 0.050 . 2 . . . . 108 LEU HD1 . 15451 1 921 . 1 1 75 75 LEU HD12 H 1 0.836 0.050 . 2 . . . . 108 LEU HD1 . 15451 1 922 . 1 1 75 75 LEU HD13 H 1 0.836 0.050 . 2 . . . . 108 LEU HD1 . 15451 1 923 . 1 1 75 75 LEU HD21 H 1 0.827 0.050 . 2 . . . . 108 LEU HD2 . 15451 1 924 . 1 1 75 75 LEU HD22 H 1 0.827 0.050 . 2 . . . . 108 LEU HD2 . 15451 1 925 . 1 1 75 75 LEU HD23 H 1 0.827 0.050 . 2 . . . . 108 LEU HD2 . 15451 1 926 . 1 1 75 75 LEU HG H 1 1.747 0.050 . 1 . . . . 108 LEU HG . 15451 1 927 . 1 1 75 75 LEU C C 13 173.981 0.300 . 1 . . . . 108 LEU CO . 15451 1 928 . 1 1 75 75 LEU CA C 13 53.553 0.300 . 1 . . . . 108 LEU CA . 15451 1 929 . 1 1 75 75 LEU CB C 13 42.731 0.300 . 1 . . . . 108 LEU CB . 15451 1 930 . 1 1 75 75 LEU CD1 C 13 25.399 0.300 . 1 . . . . 108 LEU CD1 . 15451 1 931 . 1 1 75 75 LEU CD2 C 13 26.568 0.300 . 1 . . . . 108 LEU CD2 . 15451 1 932 . 1 1 75 75 LEU CG C 13 26.590 0.300 . 1 . . . . 108 LEU CG . 15451 1 933 . 1 1 75 75 LEU N N 15 123.641 0.500 . 1 . . . . 108 LEU N . 15451 1 934 . 1 1 76 76 ASN H H 1 9.310 0.050 . 1 . . . . 109 ASN HN . 15451 1 935 . 1 1 76 76 ASN HA H 1 5.242 0.050 . 1 . . . . 109 ASN HA . 15451 1 936 . 1 1 76 76 ASN HB2 H 1 3.043 0.050 . 1 . . . . 109 ASN HB2 . 15451 1 937 . 1 1 76 76 ASN HB3 H 1 2.349 0.050 . 1 . . . . 109 ASN HB3 . 15451 1 938 . 1 1 76 76 ASN HD21 H 1 7.254 0.050 . 1 . . . . 109 ASN HD21 . 15451 1 939 . 1 1 76 76 ASN HD22 H 1 6.817 0.050 . 1 . . . . 109 ASN HD22 . 15451 1 940 . 1 1 76 76 ASN C C 13 174.348 0.300 . 1 . . . . 109 ASN CO . 15451 1 941 . 1 1 76 76 ASN CA C 13 51.511 0.300 . 1 . . . . 109 ASN CA . 15451 1 942 . 1 1 76 76 ASN CB C 13 40.502 0.300 . 1 . . . . 109 ASN CB . 15451 1 943 . 1 1 76 76 ASN CG C 13 174.514 0.300 . 1 . . . . 109 ASN CG . 15451 1 944 . 1 1 76 76 ASN N N 15 122.065 0.500 . 1 . . . . 109 ASN N . 15451 1 945 . 1 1 76 76 ASN ND2 N 15 110.556 0.500 . 1 . . . . 109 ASN ND2 . 15451 1 946 . 1 1 77 77 ILE H H 1 9.462 0.050 . 1 . . . . 110 ILE HN . 15451 1 947 . 1 1 77 77 ILE HA H 1 4.245 0.050 . 1 . . . . 110 ILE HA . 15451 1 948 . 1 1 77 77 ILE HB H 1 2.147 0.050 . 1 . . . . 110 ILE HB . 15451 1 949 . 1 1 77 77 ILE HD11 H 1 0.843 0.050 . 1 . . . . 110 ILE HD1 . 15451 1 950 . 1 1 77 77 ILE HD12 H 1 0.843 0.050 . 1 . . . . 110 ILE HD1 . 15451 1 951 . 1 1 77 77 ILE HD13 H 1 0.843 0.050 . 1 . . . . 110 ILE HD1 . 15451 1 952 . 1 1 77 77 ILE HG12 H 1 0.841 0.050 . 1 . . . . 110 ILE HG12 . 15451 1 953 . 1 1 77 77 ILE HG13 H 1 1.928 0.050 . 1 . . . . 110 ILE HG13 . 15451 1 954 . 1 1 77 77 ILE HG21 H 1 0.881 0.050 . 1 . . . . 110 ILE HG2 . 15451 1 955 . 1 1 77 77 ILE HG22 H 1 0.881 0.050 . 1 . . . . 110 ILE HG2 . 15451 1 956 . 1 1 77 77 ILE HG23 H 1 0.881 0.050 . 1 . . . . 110 ILE HG2 . 15451 1 957 . 1 1 77 77 ILE C C 13 175.126 0.300 . 1 . . . . 110 ILE CO . 15451 1 958 . 1 1 77 77 ILE CA C 13 62.636 0.300 . 1 . . . . 110 ILE CA . 15451 1 959 . 1 1 77 77 ILE CB C 13 38.298 0.300 . 1 . . . . 110 ILE CB . 15451 1 960 . 1 1 77 77 ILE CD1 C 13 14.666 0.300 . 1 . . . . 110 ILE CD1 . 15451 1 961 . 1 1 77 77 ILE CG1 C 13 27.789 0.300 . 1 . . . . 110 ILE CG1 . 15451 1 962 . 1 1 77 77 ILE CG2 C 13 19.471 0.300 . 1 . . . . 110 ILE CG2 . 15451 1 963 . 1 1 77 77 ILE N N 15 128.023 0.500 . 1 . . . . 110 ILE N . 15451 1 964 . 1 1 78 78 LEU H H 1 9.107 0.050 . 1 . . . . 111 LEU HN . 15451 1 965 . 1 1 78 78 LEU HA H 1 4.449 0.050 . 1 . . . . 111 LEU HA . 15451 1 966 . 1 1 78 78 LEU HB2 H 1 1.641 0.050 . 2 . . . . 111 LEU HB . 15451 1 967 . 1 1 78 78 LEU HB3 H 1 1.641 0.050 . 2 . . . . 111 LEU HB . 15451 1 968 . 1 1 78 78 LEU HD11 H 1 0.821 0.050 . 2 . . . . 111 LEU HD1 . 15451 1 969 . 1 1 78 78 LEU HD12 H 1 0.821 0.050 . 2 . . . . 111 LEU HD1 . 15451 1 970 . 1 1 78 78 LEU HD13 H 1 0.821 0.050 . 2 . . . . 111 LEU HD1 . 15451 1 971 . 1 1 78 78 LEU HD21 H 1 0.923 0.050 . 2 . . . . 111 LEU HD2 . 15451 1 972 . 1 1 78 78 LEU HD22 H 1 0.923 0.050 . 2 . . . . 111 LEU HD2 . 15451 1 973 . 1 1 78 78 LEU HD23 H 1 0.923 0.050 . 2 . . . . 111 LEU HD2 . 15451 1 974 . 1 1 78 78 LEU HG H 1 1.769 0.050 . 1 . . . . 111 LEU HG . 15451 1 975 . 1 1 78 78 LEU C C 13 177.680 0.300 . 1 . . . . 111 LEU CO . 15451 1 976 . 1 1 78 78 LEU CA C 13 55.771 0.300 . 1 . . . . 111 LEU CA . 15451 1 977 . 1 1 78 78 LEU CB C 13 44.107 0.300 . 1 . . . . 111 LEU CB . 15451 1 978 . 1 1 78 78 LEU CD1 C 13 22.879 0.300 . 1 . . . . 111 LEU CD1 . 15451 1 979 . 1 1 78 78 LEU CD2 C 13 26.043 0.300 . 1 . . . . 111 LEU CD2 . 15451 1 980 . 1 1 78 78 LEU CG C 13 26.785 0.300 . 1 . . . . 111 LEU CG . 15451 1 981 . 1 1 78 78 LEU N N 15 128.129 0.500 . 1 . . . . 111 LEU N . 15451 1 982 . 1 1 79 79 GLU H H 1 7.423 0.050 . 1 . . . . 112 GLU HN . 15451 1 983 . 1 1 79 79 GLU HA H 1 4.650 0.050 . 1 . . . . 112 GLU HA . 15451 1 984 . 1 1 79 79 GLU HB2 H 1 2.231 0.050 . 1 . . . . 112 GLU HB1 . 15451 1 985 . 1 1 79 79 GLU HB3 H 1 2.006 0.050 . 1 . . . . 112 GLU HB2 . 15451 1 986 . 1 1 79 79 GLU HG2 H 1 2.237 0.050 . 2 . . . . 112 GLU HG . 15451 1 987 . 1 1 79 79 GLU HG3 H 1 2.237 0.050 . 2 . . . . 112 GLU HG . 15451 1 988 . 1 1 79 79 GLU C C 13 173.591 0.300 . 1 . . . . 112 GLU CO . 15451 1 989 . 1 1 79 79 GLU CA C 13 55.383 0.300 . 1 . . . . 112 GLU CA . 15451 1 990 . 1 1 79 79 GLU CB C 13 34.127 0.300 . 1 . . . . 112 GLU CB . 15451 1 991 . 1 1 79 79 GLU CG C 13 36.515 0.300 . 1 . . . . 112 GLU CG . 15451 1 992 . 1 1 79 79 GLU N N 15 114.952 0.500 . 1 . . . . 112 GLU N . 15451 1 993 . 1 1 80 80 ILE H H 1 8.635 0.050 . 1 . . . . 113 ILE HN . 15451 1 994 . 1 1 80 80 ILE HA H 1 4.491 0.050 . 1 . . . . 113 ILE HA . 15451 1 995 . 1 1 80 80 ILE HB H 1 1.789 0.050 . 1 . . . . 113 ILE HB . 15451 1 996 . 1 1 80 80 ILE HD11 H 1 0.819 0.050 . 1 . . . . 113 ILE HD1 . 15451 1 997 . 1 1 80 80 ILE HD12 H 1 0.819 0.050 . 1 . . . . 113 ILE HD1 . 15451 1 998 . 1 1 80 80 ILE HD13 H 1 0.819 0.050 . 1 . . . . 113 ILE HD1 . 15451 1 999 . 1 1 80 80 ILE HG12 H 1 1.479 0.050 . 1 . . . . 113 ILE HG12 . 15451 1 1000 . 1 1 80 80 ILE HG13 H 1 0.876 0.050 . 1 . . . . 113 ILE HG13 . 15451 1 1001 . 1 1 80 80 ILE HG21 H 1 0.728 0.050 . 1 . . . . 113 ILE HG2 . 15451 1 1002 . 1 1 80 80 ILE HG22 H 1 0.728 0.050 . 1 . . . . 113 ILE HG2 . 15451 1 1003 . 1 1 80 80 ILE HG23 H 1 0.728 0.050 . 1 . . . . 113 ILE HG2 . 15451 1 1004 . 1 1 80 80 ILE C C 13 174.790 0.300 . 1 . . . . 113 ILE CO . 15451 1 1005 . 1 1 80 80 ILE CA C 13 61.686 0.300 . 1 . . . . 113 ILE CA . 15451 1 1006 . 1 1 80 80 ILE CB C 13 39.938 0.300 . 1 . . . . 113 ILE CB . 15451 1 1007 . 1 1 80 80 ILE CD1 C 13 15.462 0.300 . 1 . . . . 113 ILE CD1 . 15451 1 1008 . 1 1 80 80 ILE CG1 C 13 27.176 0.300 . 1 . . . . 113 ILE CG1 . 15451 1 1009 . 1 1 80 80 ILE CG2 C 13 17.377 0.300 . 1 . . . . 113 ILE CG2 . 15451 1 1010 . 1 1 80 80 ILE N N 15 123.373 0.500 . 1 . . . . 113 ILE N . 15451 1 1011 . 1 1 81 81 VAL H H 1 8.807 0.050 . 1 . . . . 114 VAL HN . 15451 1 1012 . 1 1 81 81 VAL HA H 1 4.592 0.050 . 1 . . . . 114 VAL HA . 15451 1 1013 . 1 1 81 81 VAL HB H 1 2.121 0.050 . 1 . . . . 114 VAL HB . 15451 1 1014 . 1 1 81 81 VAL HG21 H 1 0.956 0.050 . 2 . . . . 114 VAL HG2 . 15451 1 1015 . 1 1 81 81 VAL HG22 H 1 0.956 0.050 . 2 . . . . 114 VAL HG2 . 15451 1 1016 . 1 1 81 81 VAL HG23 H 1 0.956 0.050 . 2 . . . . 114 VAL HG2 . 15451 1 1017 . 1 1 81 81 VAL C C 13 174.950 0.300 . 1 . . . . 114 VAL CO . 15451 1 1018 . 1 1 81 81 VAL CA C 13 60.817 0.300 . 1 . . . . 114 VAL CA . 15451 1 1019 . 1 1 81 81 VAL CB C 13 35.308 0.300 . 1 . . . . 114 VAL CB . 15451 1 1020 . 1 1 81 81 VAL CG2 C 13 21.263 0.300 . 1 . . . . 114 VAL CG2 . 15451 1 1021 . 1 1 81 81 VAL N N 15 125.467 0.500 . 1 . . . . 114 VAL N . 15451 1 1022 . 1 1 82 82 LYS H H 1 8.773 0.050 . 1 . . . . 115 LYS HN . 15451 1 1023 . 1 1 82 82 LYS HA H 1 4.700 0.050 . 1 . . . . 115 LYS HA . 15451 1 1024 . 1 1 82 82 LYS HB2 H 1 2.012 0.050 . 1 . . . . 115 LYS HB2 . 15451 1 1025 . 1 1 82 82 LYS HB3 H 1 1.764 0.050 . 1 . . . . 115 LYS HB3 . 15451 1 1026 . 1 1 82 82 LYS HD2 H 1 1.878 0.050 . 1 . . . . 115 LYS HD2 . 15451 1 1027 . 1 1 82 82 LYS HD3 H 1 1.788 0.050 . 1 . . . . 115 LYS HD3 . 15451 1 1028 . 1 1 82 82 LYS HE2 H 1 3.126 0.050 . 2 . . . . 115 LYS HE . 15451 1 1029 . 1 1 82 82 LYS HE3 H 1 3.126 0.050 . 2 . . . . 115 LYS HE . 15451 1 1030 . 1 1 82 82 LYS HG2 H 1 1.575 0.050 . 2 . . . . 115 LYS HG . 15451 1 1031 . 1 1 82 82 LYS HG3 H 1 1.575 0.050 . 2 . . . . 115 LYS HG . 15451 1 1032 . 1 1 82 82 LYS C C 13 176.431 0.300 . 1 . . . . 115 LYS CO . 15451 1 1033 . 1 1 82 82 LYS CA C 13 56.098 0.300 . 1 . . . . 115 LYS CA . 15451 1 1034 . 1 1 82 82 LYS CB C 13 33.533 0.300 . 1 . . . . 115 LYS CB . 15451 1 1035 . 1 1 82 82 LYS CD C 13 29.262 0.300 . 1 . . . . 115 LYS CD . 15451 1 1036 . 1 1 82 82 LYS CE C 13 42.329 0.300 . 1 . . . . 115 LYS CE . 15451 1 1037 . 1 1 82 82 LYS CG C 13 25.041 0.300 . 1 . . . . 115 LYS CG . 15451 1 1038 . 1 1 82 82 LYS N N 15 126.101 0.500 . 1 . . . . 115 LYS N . 15451 1 1039 . 1 1 83 83 THR H H 1 8.377 0.050 . 1 . . . . 116 THR HN . 15451 1 1040 . 1 1 83 83 THR HA H 1 4.254 0.050 . 1 . . . . 116 THR HA . 15451 1 1041 . 1 1 83 83 THR HB H 1 4.254 0.050 . 1 . . . . 116 THR HB . 15451 1 1042 . 1 1 83 83 THR HG21 H 1 1.244 0.050 . 1 . . . . 116 THR HG2 . 15451 1 1043 . 1 1 83 83 THR HG22 H 1 1.244 0.050 . 1 . . . . 116 THR HG2 . 15451 1 1044 . 1 1 83 83 THR HG23 H 1 1.244 0.050 . 1 . . . . 116 THR HG2 . 15451 1 1045 . 1 1 83 83 THR C C 13 174.107 0.300 . 1 . . . . 116 THR CO . 15451 1 1046 . 1 1 83 83 THR CA C 13 62.605 0.300 . 1 . . . . 116 THR CA . 15451 1 1047 . 1 1 83 83 THR CB C 13 69.398 0.300 . 1 . . . . 116 THR CB . 15451 1 1048 . 1 1 83 83 THR CG2 C 13 22.031 0.300 . 1 . . . . 116 THR CG2 . 15451 1 1049 . 1 1 83 83 THR N N 15 118.086 0.500 . 1 . . . . 116 THR N . 15451 1 1050 . 1 1 84 84 ALA H H 1 8.465 0.050 . 1 . . . . 117 ALA HN . 15451 1 1051 . 1 1 84 84 ALA HA H 1 4.414 0.050 . 1 . . . . 117 ALA HA . 15451 1 1052 . 1 1 84 84 ALA HB1 H 1 1.489 0.050 . 1 . . . . 117 ALA HB . 15451 1 1053 . 1 1 84 84 ALA HB2 H 1 1.489 0.050 . 1 . . . . 117 ALA HB . 15451 1 1054 . 1 1 84 84 ALA HB3 H 1 1.489 0.050 . 1 . . . . 117 ALA HB . 15451 1 1055 . 1 1 84 84 ALA C C 13 177.218 0.300 . 1 . . . . 117 ALA CO . 15451 1 1056 . 1 1 84 84 ALA CA C 13 52.613 0.300 . 1 . . . . 117 ALA CA . 15451 1 1057 . 1 1 84 84 ALA CB C 13 19.592 0.300 . 1 . . . . 117 ALA CB . 15451 1 1058 . 1 1 84 84 ALA N N 15 125.448 0.500 . 1 . . . . 117 ALA N . 15451 1 1059 . 1 1 85 85 GLU H H 1 8.330 0.050 . 1 . . . . 118 GLU HN . 15451 1 1060 . 1 1 85 85 GLU HA H 1 4.453 0.050 . 1 . . . . 118 GLU HA . 15451 1 1061 . 1 1 85 85 GLU HB2 H 1 2.135 0.050 . 1 . . . . 118 GLU HB2 . 15451 1 1062 . 1 1 85 85 GLU HB3 H 1 1.998 0.050 . 1 . . . . 118 GLU HB3 . 15451 1 1063 . 1 1 85 85 GLU HG2 H 1 2.331 0.050 . 2 . . . . 118 GLU HG . 15451 1 1064 . 1 1 85 85 GLU HG3 H 1 2.331 0.050 . 2 . . . . 118 GLU HG . 15451 1 1065 . 1 1 85 85 GLU C C 13 176.275 0.300 . 1 . . . . 118 GLU CO . 15451 1 1066 . 1 1 85 85 GLU CA C 13 56.395 0.300 . 1 . . . . 118 GLU CA . 15451 1 1067 . 1 1 85 85 GLU CB C 13 31.140 0.300 . 1 . . . . 118 GLU CB . 15451 1 1068 . 1 1 85 85 GLU CG C 13 36.381 0.300 . 1 . . . . 118 GLU CG . 15451 1 1069 . 1 1 85 85 GLU N N 15 120.094 0.500 . 1 . . . . 118 GLU N . 15451 1 1070 . 1 1 86 86 THR H H 1 8.336 0.050 . 1 . . . . 119 THR HN . 15451 1 1071 . 1 1 86 86 THR HA H 1 4.408 0.050 . 1 . . . . 119 THR HA . 15451 1 1072 . 1 1 86 86 THR HB H 1 4.186 0.050 . 1 . . . . 119 THR HB . 15451 1 1073 . 1 1 86 86 THR HG21 H 1 1.221 0.050 . 1 . . . . 119 THR HG2 . 15451 1 1074 . 1 1 86 86 THR HG22 H 1 1.221 0.050 . 1 . . . . 119 THR HG2 . 15451 1 1075 . 1 1 86 86 THR HG23 H 1 1.221 0.050 . 1 . . . . 119 THR HG2 . 15451 1 1076 . 1 1 86 86 THR C C 13 174.157 0.300 . 1 . . . . 119 THR CO . 15451 1 1077 . 1 1 86 86 THR CA C 13 62.157 0.300 . 1 . . . . 119 THR CA . 15451 1 1078 . 1 1 86 86 THR CB C 13 69.911 0.300 . 1 . . . . 119 THR CB . 15451 1 1079 . 1 1 86 86 THR CG2 C 13 21.873 0.300 . 1 . . . . 119 THR CG . 15451 1 1080 . 1 1 86 86 THR N N 15 116.733 0.500 . 1 . . . . 119 THR N . 15451 1 1081 . 1 1 87 87 VAL H H 1 8.289 0.050 . 1 . . . . 120 VAL HN . 15451 1 1082 . 1 1 87 87 VAL HA H 1 4.145 0.050 . 1 . . . . 120 VAL HA . 15451 1 1083 . 1 1 87 87 VAL HB H 1 1.968 0.050 . 1 . . . . 120 VAL HB . 15451 1 1084 . 1 1 87 87 VAL HG11 H 1 0.872 0.050 . 2 . . . . 120 VAL HG1 . 15451 1 1085 . 1 1 87 87 VAL HG12 H 1 0.872 0.050 . 2 . . . . 120 VAL HG1 . 15451 1 1086 . 1 1 87 87 VAL HG13 H 1 0.872 0.050 . 2 . . . . 120 VAL HG1 . 15451 1 1087 . 1 1 87 87 VAL HG21 H 1 0.820 0.050 . 2 . . . . 120 VAL HG2 . 15451 1 1088 . 1 1 87 87 VAL HG22 H 1 0.820 0.050 . 2 . . . . 120 VAL HG2 . 15451 1 1089 . 1 1 87 87 VAL HG23 H 1 0.820 0.050 . 2 . . . . 120 VAL HG2 . 15451 1 1090 . 1 1 87 87 VAL C C 13 175.258 0.300 . 1 . . . . 120 VAL CO . 15451 1 1091 . 1 1 87 87 VAL CA C 13 62.157 0.300 . 1 . . . . 120 VAL CA . 15451 1 1092 . 1 1 87 87 VAL CB C 13 33.101 0.300 . 1 . . . . 120 VAL CB . 15451 1 1093 . 1 1 87 87 VAL CG1 C 13 20.490 0.300 . 1 . . . . 120 VAL CG1 . 15451 1 1094 . 1 1 87 87 VAL CG2 C 13 21.309 0.300 . 1 . . . . 120 VAL CG2 . 15451 1 1095 . 1 1 87 87 VAL N N 15 123.901 0.500 . 1 . . . . 120 VAL N . 15451 1 1096 . 1 1 88 88 GLU H H 1 8.258 0.050 . 1 . . . . 121 GLU HN . 15451 1 1097 . 1 1 88 88 GLU HA H 1 4.383 0.050 . 1 . . . . 121 GLU HA . 15451 1 1098 . 1 1 88 88 GLU HB2 H 1 1.882 0.050 . 1 . . . . 121 GLU HB2 . 15451 1 1099 . 1 1 88 88 GLU HB3 H 1 2.043 0.050 . 1 . . . . 121 GLU HB3 . 15451 1 1100 . 1 1 88 88 GLU HG2 H 1 2.211 0.050 . 2 . . . . 121 GLU HG . 15451 1 1101 . 1 1 88 88 GLU HG3 H 1 2.211 0.050 . 2 . . . . 121 GLU HG . 15451 1 1102 . 1 1 88 88 GLU C C 13 174.880 0.300 . 1 . . . . 121 GLU CO . 15451 1 1103 . 1 1 88 88 GLU CA C 13 56.111 0.300 . 1 . . . . 121 GLU CA . 15451 1 1104 . 1 1 88 88 GLU CB C 13 31.121 0.300 . 1 . . . . 121 GLU CB . 15451 1 1105 . 1 1 88 88 GLU CG C 13 36.403 0.300 . 1 . . . . 121 GLU CG . 15451 1 1106 . 1 1 88 88 GLU N N 15 125.051 0.500 . 1 . . . . 121 GLU N . 15451 1 1107 . 1 1 89 89 TRP H H 1 7.646 0.050 . 1 . . . . 122 TRP HN . 15451 1 1108 . 1 1 89 89 TRP HA H 1 4.566 0.050 . 1 . . . . 122 TRP HA . 15451 1 1109 . 1 1 89 89 TRP HD1 H 1 7.212 0.050 . 1 . . . . 122 TRP HD1 . 15451 1 1110 . 1 1 89 89 TRP HE1 H 1 10.034 0.050 . 1 . . . . 122 TRP HE1 . 15451 1 1111 . 1 1 89 89 TRP HE3 H 1 7.628 0.050 . 1 . . . . 122 TRP HE3 . 15451 1 1112 . 1 1 89 89 TRP HH2 H 1 7.196 0.050 . 1 . . . . 122 TRP HH2 . 15451 1 1113 . 1 1 89 89 TRP HZ2 H 1 7.434 0.050 . 1 . . . . 122 TRP HZ2 . 15451 1 1114 . 1 1 89 89 TRP HZ3 H 1 7.164 0.050 . 1 . . . . 122 TRP HZ3 . 15451 1 1115 . 1 1 89 89 TRP CA C 13 58.702 0.300 . 1 . . . . 122 TRP CA . 15451 1 1116 . 1 1 89 89 TRP CB C 13 30.501 0.300 . 1 . . . . 122 TRP CB . 15451 1 1117 . 1 1 89 89 TRP CD1 C 13 127.106 0.300 . 1 . . . . 122 TRP CD1 . 15451 1 1118 . 1 1 89 89 TRP CE3 C 13 121.300 0.300 . 1 . . . . 122 TRP CE3 . 15451 1 1119 . 1 1 89 89 TRP CH2 C 13 124.235 0.300 . 1 . . . . 122 TRP CH2 . 15451 1 1120 . 1 1 89 89 TRP CZ2 C 13 114.446 0.300 . 1 . . . . 122 TRP CZ2 . 15451 1 1121 . 1 1 89 89 TRP CZ3 C 13 121.951 0.300 . 1 . . . . 122 TRP CZ3 . 15451 1 1122 . 1 1 89 89 TRP N N 15 127.244 0.500 . 1 . . . . 122 TRP N . 15451 1 1123 . 1 1 89 89 TRP NE1 N 15 128.812 0.500 . 1 . . . . 122 TRP NE1 . 15451 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constant_list_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constant_list_1 _Coupling_constant_list.Entry_ID 15451 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 17 '3D HNHA' . . . 15451 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 HNHA . 1 1 4 4 CYS HN H 1 . . 1 1 4 4 CYS HA H 1 . 7.28 . . . . . . . . . . . . . . 15451 1 2 HNHA . 1 1 5 5 VAL HN H 1 . . 1 1 5 5 VAL HA H 1 . 10.02 . . . . . . . . . . . . . . 15451 1 3 HNHA . 1 1 6 6 SER HN H 1 . . 1 1 6 6 SER HA H 1 . 9.29 . . . . . . . . . . . . . . 15451 1 4 HNHA . 1 1 7 7 GLN HN H 1 . . 1 1 7 7 GLN HA H 1 . 8.23 . . . . . . . . . . . . . . 15451 1 5 HNHA . 1 1 8 8 ALA HN H 1 . . 1 1 8 8 ALA HA H 1 . 6.50 . . . . . . . . . . . . . . 15451 1 6 HNHA . 1 1 9 9 ILE HN H 1 . . 1 1 9 9 ILE HA H 1 . 7.51 . . . . . . . . . . . . . . 15451 1 7 HNHA . 1 1 10 10 ASP HN H 1 . . 1 1 10 10 ASP HA H 1 . 6.46 . . . . . . . . . . . . . . 15451 1 8 HNHA . 1 1 17 17 ASN HN H 1 . . 1 1 17 17 ASN HA H 1 . 4.84 . . . . . . . . . . . . . . 15451 1 9 HNHA . 1 1 18 18 LEU HN H 1 . . 1 1 18 18 LEU HA H 1 . 3.60 . . . . . . . . . . . . . . 15451 1 10 HNHA . 1 1 19 19 LYS HN H 1 . . 1 1 19 19 LYS HA H 1 . 5.16 . . . . . . . . . . . . . . 15451 1 11 HNHA . 1 1 20 20 LYS HN H 1 . . 1 1 20 20 LYS HA H 1 . 6.05 . . . . . . . . . . . . . . 15451 1 12 HNHA . 1 1 21 21 LEU HN H 1 . . 1 1 21 21 LEU HA H 1 . 5.87 . . . . . . . . . . . . . . 15451 1 13 HNHA . 1 1 22 22 LEU HN H 1 . . 1 1 22 22 LEU HA H 1 . 7.13 . . . . . . . . . . . . . . 15451 1 14 HNHA . 1 1 23 23 GLU HN H 1 . . 1 1 23 23 GLU HA H 1 . 2.52 . . . . . . . . . . . . . . 15451 1 15 HNHA . 1 1 25 25 ARG HN H 1 . . 1 1 25 25 ARG HA H 1 . 8.24 . . . . . . . . . . . . . . 15451 1 16 HNHA . 1 1 26 26 LEU HN H 1 . . 1 1 26 26 LEU HA H 1 . 7.17 . . . . . . . . . . . . . . 15451 1 17 HNHA . 1 1 29 29 SER HN H 1 . . 1 1 29 29 SER HA H 1 . 6.69 . . . . . . . . . . . . . . 15451 1 18 HNHA . 1 1 31 31 ASP HN H 1 . . 1 1 31 31 ASP HA H 1 . 2.46 . . . . . . . . . . . . . . 15451 1 19 HNHA . 1 1 32 32 ALA HN H 1 . . 1 1 32 32 ALA HA H 1 . 7.37 . . . . . . . . . . . . . . 15451 1 20 HNHA . 1 1 35 35 ILE HN H 1 . . 1 1 35 35 ILE HA H 1 . 9.05 . . . . . . . . . . . . . . 15451 1 21 HNHA . 1 1 36 36 CYS HN H 1 . . 1 1 36 36 CYS HA H 1 . 10.21 . . . . . . . . . . . . . . 15451 1 22 HNHA . 1 1 37 37 LEU HN H 1 . . 1 1 37 37 LEU HA H 1 . 9.22 . . . . . . . . . . . . . . 15451 1 23 HNHA . 1 1 40 40 ILE HN H 1 . . 1 1 40 40 ILE HA H 1 . 8.92 . . . . . . . . . . . . . . 15451 1 24 HNHA . 1 1 42 42 LEU HN H 1 . . 1 1 42 42 LEU HA H 1 . 9.19 . . . . . . . . . . . . . . 15451 1 25 HNHA . 1 1 43 43 ASP HN H 1 . . 1 1 43 43 ASP HA H 1 . 8.00 . . . . . . . . . . . . . . 15451 1 26 HNHA . 1 1 46 46 ARG HN H 1 . . 1 1 46 46 ARG HA H 1 . 10.04 . . . . . . . . . . . . . . 15451 1 27 HNHA . 1 1 47 47 SER HN H 1 . . 1 1 47 47 SER HA H 1 . 5.24 . . . . . . . . . . . . . . 15451 1 28 HNHA . 1 1 48 48 LEU HN H 1 . . 1 1 48 48 LEU HA H 1 . 4.93 . . . . . . . . . . . . . . 15451 1 29 HNHA . 1 1 49 49 PHE HN H 1 . . 1 1 49 49 PHE HA H 1 . 3.40 . . . . . . . . . . . . . . 15451 1 30 HNHA . 1 1 50 50 ASP HN H 1 . . 1 1 50 50 ASP HA H 1 . 5.37 . . . . . . . . . . . . . . 15451 1 31 HNHA . 1 1 51 51 GLN HN H 1 . . 1 1 51 51 GLN HA H 1 . 10.28 . . . . . . . . . . . . . . 15451 1 32 HNHA . 1 1 54 54 LYS HN H 1 . . 1 1 54 54 LYS HA H 1 . 8.96 . . . . . . . . . . . . . . 15451 1 33 HNHA . 1 1 56 56 ASP HN H 1 . . 1 1 56 56 ASP HA H 1 . 9.16 . . . . . . . . . . . . . . 15451 1 34 HNHA . 1 1 58 58 THR HN H 1 . . 1 1 58 58 THR HA H 1 . 7.28 . . . . . . . . . . . . . . 15451 1 35 HNHA . 1 1 59 59 VAL HN H 1 . . 1 1 59 59 VAL HA H 1 . 10.23 . . . . . . . . . . . . . . 15451 1 36 HNHA . 1 1 60 60 GLN HN H 1 . . 1 1 60 60 GLN HA H 1 . 9.11 . . . . . . . . . . . . . . 15451 1 37 HNHA . 1 1 61 61 LEU HN H 1 . . 1 1 61 61 LEU HA H 1 . 9.09 . . . . . . . . . . . . . . 15451 1 38 HNHA . 1 1 63 63 VAL HN H 1 . . 1 1 63 63 VAL HA H 1 . 9.67 . . . . . . . . . . . . . . 15451 1 39 HNHA . 1 1 64 64 GLN HN H 1 . . 1 1 64 64 GLN HA H 1 . 7.56 . . . . . . . . . . . . . . 15451 1 40 HNHA . 1 1 65 65 VAL HN H 1 . . 1 1 65 65 VAL HA H 1 . 11.54 . . . . . . . . . . . . . . 15451 1 41 HNHA . 1 1 66 66 ILE HN H 1 . . 1 1 66 66 ILE HA H 1 . 9.64 . . . . . . . . . . . . . . 15451 1 42 HNHA . 1 1 67 67 SER HN H 1 . . 1 1 67 67 SER HA H 1 . 9.16 . . . . . . . . . . . . . . 15451 1 43 HNHA . 1 1 71 71 MET HN H 1 . . 1 1 71 71 MET HA H 1 . 9.23 . . . . . . . . . . . . . . 15451 1 44 HNHA . 1 1 72 72 GLU HN H 1 . . 1 1 72 72 GLU HA H 1 . 6.73 . . . . . . . . . . . . . . 15451 1 45 HNHA . 1 1 74 74 LYS HN H 1 . . 1 1 74 74 LYS HA H 1 . 9.10 . . . . . . . . . . . . . . 15451 1 46 HNHA . 1 1 75 75 LEU HN H 1 . . 1 1 75 75 LEU HA H 1 . 10.15 . . . . . . . . . . . . . . 15451 1 47 HNHA . 1 1 76 76 ASN HN H 1 . . 1 1 76 76 ASN HA H 1 . 9.59 . . . . . . . . . . . . . . 15451 1 48 HNHA . 1 1 77 77 ILE HN H 1 . . 1 1 77 77 ILE HA H 1 . 7.86 . . . . . . . . . . . . . . 15451 1 49 HNHA . 1 1 78 78 LEU HN H 1 . . 1 1 78 78 LEU HA H 1 . 8.73 . . . . . . . . . . . . . . 15451 1 50 HNHA . 1 1 79 79 GLU HN H 1 . . 1 1 79 79 GLU HA H 1 . 7.30 . . . . . . . . . . . . . . 15451 1 51 HNHA . 1 1 80 80 ILE HN H 1 . . 1 1 80 80 ILE HA H 1 . 6.36 . . . . . . . . . . . . . . 15451 1 52 HNHA . 1 1 81 81 VAL HN H 1 . . 1 1 81 81 VAL HA H 1 . 9.80 . . . . . . . . . . . . . . 15451 1 53 HNHA . 1 1 82 82 LYS HN H 1 . . 1 1 82 82 LYS HA H 1 . 9.71 . . . . . . . . . . . . . . 15451 1 54 HNHA . 1 1 84 84 ALA HN H 1 . . 1 1 84 84 ALA HA H 1 . 6.77 . . . . . . . . . . . . . . 15451 1 55 HNHA . 1 1 85 85 GLU HN H 1 . . 1 1 85 85 GLU HA H 1 . 13.54 . . . . . . . . . . . . . . 15451 1 56 HNHA . 1 1 86 86 THR HN H 1 . . 1 1 86 86 THR HA H 1 . 8.31 . . . . . . . . . . . . . . 15451 1 57 HNHA . 1 1 87 87 VAL HN H 1 . . 1 1 87 87 VAL HA H 1 . 10.00 . . . . . . . . . . . . . . 15451 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 15451 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 14 '15N IPAP' . . . 15451 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 6 6 SER N N 15 . . 1 1 6 6 SER H H 1 . -11.8 . . . . . . . . . . . . . . 15451 1 2 DHN . 1 1 7 7 GLN N N 15 . . 1 1 7 7 GLN H H 1 . -21.6 . . . . . . . . . . . . . . 15451 1 3 DHN . 1 1 8 8 ALA N N 15 . . 1 1 8 8 ALA H H 1 . -17.8 . . . . . . . . . . . . . . 15451 1 4 DHN . 1 1 9 9 ILE N N 15 . . 1 1 9 9 ILE H H 1 . 0.2 . . . . . . . . . . . . . . 15451 1 5 DHN . 1 1 10 10 ASP N N 15 . . 1 1 10 10 ASP H H 1 . 0.6 . . . . . . . . . . . . . . 15451 1 6 DHN . 1 1 11 11 ILE N N 15 . . 1 1 11 11 ILE H H 1 . 22.7 . . . . . . . . . . . . . . 15451 1 7 DHN . 1 1 12 12 ASN N N 15 . . 1 1 12 12 ASN H H 1 . -7.5 . . . . . . . . . . . . . . 15451 1 8 DHN . 1 1 15 15 ILE N N 15 . . 1 1 15 15 ILE H H 1 . -11.4 . . . . . . . . . . . . . . 15451 1 9 DHN . 1 1 16 16 GLY N N 15 . . 1 1 16 16 GLY H H 1 . -3.8 . . . . . . . . . . . . . . 15451 1 10 DHN . 1 1 17 17 ASN N N 15 . . 1 1 17 17 ASN H H 1 . 12.6 . . . . . . . . . . . . . . 15451 1 11 DHN . 1 1 18 18 LEU N N 15 . . 1 1 18 18 LEU H H 1 . -15.4 . . . . . . . . . . . . . . 15451 1 12 DHN . 1 1 19 19 LYS N N 15 . . 1 1 19 19 LYS H H 1 . -5.5 . . . . . . . . . . . . . . 15451 1 13 DHN . 1 1 21 21 LEU N N 15 . . 1 1 21 21 LEU H H 1 . -14.0 . . . . . . . . . . . . . . 15451 1 14 DHN . 1 1 22 22 LEU N N 15 . . 1 1 22 22 LEU H H 1 . -10.5 . . . . . . . . . . . . . . 15451 1 15 DHN . 1 1 23 23 GLU N N 15 . . 1 1 23 23 GLU H H 1 . 0.3 . . . . . . . . . . . . . . 15451 1 16 DHN . 1 1 27 27 GLN N N 15 . . 1 1 27 27 GLN H H 1 . 15.0 . . . . . . . . . . . . . . 15451 1 17 DHN . 1 1 28 28 CYS N N 15 . . 1 1 28 28 CYS H H 1 . 24.8 . . . . . . . . . . . . . . 15451 1 18 DHN . 1 1 30 30 LEU N N 15 . . 1 1 30 30 LEU H H 1 . -9.1 . . . . . . . . . . . . . . 15451 1 19 DHN . 1 1 31 31 ASP N N 15 . . 1 1 31 31 ASP H H 1 . -8.0 . . . . . . . . . . . . . . 15451 1 20 DHN . 1 1 32 32 ALA N N 15 . . 1 1 32 32 ALA H H 1 . -2.9 . . . . . . . . . . . . . . 15451 1 21 DHN . 1 1 33 33 HIS N N 15 . . 1 1 33 33 HIS H H 1 . -21.4 . . . . . . . . . . . . . . 15451 1 22 DHN . 1 1 34 34 GLU N N 15 . . 1 1 34 34 GLU H H 1 . 1.8 . . . . . . . . . . . . . . 15451 1 23 DHN . 1 1 36 36 CYS N N 15 . . 1 1 36 36 CYS H H 1 . -7.1 . . . . . . . . . . . . . . 15451 1 24 DHN . 1 1 37 37 LEU N N 15 . . 1 1 37 37 LEU H H 1 . -7.7 . . . . . . . . . . . . . . 15451 1 25 DHN . 1 1 38 38 GLN N N 15 . . 1 1 38 38 GLN H H 1 . -4.1 . . . . . . . . . . . . . . 15451 1 26 DHN . 1 1 39 39 ASP N N 15 . . 1 1 39 39 ASP H H 1 . -14.2 . . . . . . . . . . . . . . 15451 1 27 DHN . 1 1 40 40 ILE N N 15 . . 1 1 40 40 ILE H H 1 . 16.6 . . . . . . . . . . . . . . 15451 1 28 DHN . 1 1 42 42 LEU N N 15 . . 1 1 42 42 LEU H H 1 . 1.6 . . . . . . . . . . . . . . 15451 1 29 DHN . 1 1 43 43 ASP N N 15 . . 1 1 43 43 ASP H H 1 . 26.6 . . . . . . . . . . . . . . 15451 1 30 DHN . 1 1 45 45 ASP N N 15 . . 1 1 45 45 ASP H H 1 . -11.4 . . . . . . . . . . . . . . 15451 1 31 DHN . 1 1 46 46 ARG N N 15 . . 1 1 46 46 ARG H H 1 . 1.6 . . . . . . . . . . . . . . 15451 1 32 DHN . 1 1 47 47 SER N N 15 . . 1 1 47 47 SER H H 1 . 2.7 . . . . . . . . . . . . . . 15451 1 33 DHN . 1 1 48 48 LEU N N 15 . . 1 1 48 48 LEU H H 1 . -19.1 . . . . . . . . . . . . . . 15451 1 34 DHN . 1 1 49 49 PHE N N 15 . . 1 1 49 49 PHE H H 1 . -26.8 . . . . . . . . . . . . . . 15451 1 35 DHN . 1 1 50 50 ASP N N 15 . . 1 1 50 50 ASP H H 1 . -15.6 . . . . . . . . . . . . . . 15451 1 36 DHN . 1 1 51 51 GLN N N 15 . . 1 1 51 51 GLN H H 1 . -11.9 . . . . . . . . . . . . . . 15451 1 37 DHN . 1 1 52 52 GLY N N 15 . . 1 1 52 52 GLY H H 1 . -10.2 . . . . . . . . . . . . . . 15451 1 38 DHN . 1 1 53 53 VAL N N 15 . . 1 1 53 53 VAL H H 1 . -6.1 . . . . . . . . . . . . . . 15451 1 39 DHN . 1 1 59 59 VAL N N 15 . . 1 1 59 59 VAL H H 1 . 9.1 . . . . . . . . . . . . . . 15451 1 40 DHN . 1 1 60 60 GLN N N 15 . . 1 1 60 60 GLN H H 1 . -0.5 . . . . . . . . . . . . . . 15451 1 41 DHN . 1 1 63 63 VAL N N 15 . . 1 1 63 63 VAL H H 1 . -16.2 . . . . . . . . . . . . . . 15451 1 42 DHN . 1 1 65 65 VAL N N 15 . . 1 1 65 65 VAL H H 1 . -5.7 . . . . . . . . . . . . . . 15451 1 43 DHN . 1 1 66 66 ILE N N 15 . . 1 1 66 66 ILE H H 1 . -4.0 . . . . . . . . . . . . . . 15451 1 44 DHN . 1 1 67 67 SER N N 15 . . 1 1 67 67 SER H H 1 . -7.1 . . . . . . . . . . . . . . 15451 1 45 DHN . 1 1 74 74 LYS N N 15 . . 1 1 74 74 LYS H H 1 . -2.1 . . . . . . . . . . . . . . 15451 1 46 DHN . 1 1 75 75 LEU N N 15 . . 1 1 75 75 LEU H H 1 . -5.8 . . . . . . . . . . . . . . 15451 1 47 DHN . 1 1 76 76 ASN N N 15 . . 1 1 76 76 ASN H H 1 . -1.9 . . . . . . . . . . . . . . 15451 1 48 DHN . 1 1 78 78 LEU N N 15 . . 1 1 78 78 LEU H H 1 . -10.4 . . . . . . . . . . . . . . 15451 1 49 DHN . 1 1 81 81 VAL N N 15 . . 1 1 81 81 VAL H H 1 . -17.9 . . . . . . . . . . . . . . 15451 1 50 DHN . 1 1 82 82 LYS N N 15 . . 1 1 82 82 LYS H H 1 . -18.8 . . . . . . . . . . . . . . 15451 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 15451 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 16 'T1 T2 HNNOE' . . . 15451 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 ALA N N 15 . 1 1 2 2 ALA H H 1 0.0785 0.0039 . . . . . . . . . . 15451 1 2 . 1 1 3 3 GLU N N 15 . 1 1 3 3 GLU H H 1 0.2958 0.0148 . . . . . . . . . . 15451 1 3 . 1 1 4 4 CYS N N 15 . 1 1 4 4 CYS H H 1 0.3402 0.017 . . . . . . . . . . 15451 1 4 . 1 1 5 5 VAL N N 15 . 1 1 5 5 VAL H H 1 0.6849 0.0342 . . . . . . . . . . 15451 1 5 . 1 1 6 6 SER N N 15 . 1 1 6 6 SER H H 1 0.7529 0.0376 . . . . . . . . . . 15451 1 6 . 1 1 7 7 GLN N N 15 . 1 1 7 7 GLN H H 1 0.7482 0.0374 . . . . . . . . . . 15451 1 7 . 1 1 8 8 ALA N N 15 . 1 1 8 8 ALA H H 1 0.7505 0.0375 . . . . . . . . . . 15451 1 8 . 1 1 9 9 ILE N N 15 . 1 1 9 9 ILE H H 1 0.7539 0.0377 . . . . . . . . . . 15451 1 9 . 1 1 10 10 ASP N N 15 . 1 1 10 10 ASP H H 1 0.7464 0.0373 . . . . . . . . . . 15451 1 10 . 1 1 11 11 ILE N N 15 . 1 1 11 11 ILE H H 1 0.7745 0.0387 . . . . . . . . . . 15451 1 11 . 1 1 12 12 ASN N N 15 . 1 1 12 12 ASN H H 1 0.8126 0.0406 . . . . . . . . . . 15451 1 12 . 1 1 13 13 GLU N N 15 . 1 1 13 13 GLU H H 1 0.7975 0.0399 . . . . . . . . . . 15451 1 13 . 1 1 15 15 ILE N N 15 . 1 1 15 15 ILE H H 1 0.7732 0.0387 . . . . . . . . . . 15451 1 14 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 0.7683 0.0384 . . . . . . . . . . 15451 1 15 . 1 1 17 17 ASN N N 15 . 1 1 17 17 ASN H H 1 0.7462 0.0373 . . . . . . . . . . 15451 1 16 . 1 1 18 18 LEU N N 15 . 1 1 18 18 LEU H H 1 0.7418 0.0371 . . . . . . . . . . 15451 1 17 . 1 1 19 19 LYS N N 15 . 1 1 19 19 LYS H H 1 0.789 0.0395 . . . . . . . . . . 15451 1 18 . 1 1 20 20 LYS N N 15 . 1 1 20 20 LYS H H 1 0.6639 0.0332 . . . . . . . . . . 15451 1 19 . 1 1 21 21 LEU N N 15 . 1 1 21 21 LEU H H 1 0.7136 0.0357 . . . . . . . . . . 15451 1 20 . 1 1 22 22 LEU N N 15 . 1 1 22 22 LEU H H 1 0.7596 0.038 . . . . . . . . . . 15451 1 21 . 1 1 23 23 GLU N N 15 . 1 1 23 23 GLU H H 1 0.7528 0.0376 . . . . . . . . . . 15451 1 22 . 1 1 25 25 ARG N N 15 . 1 1 25 25 ARG H H 1 0.6734 0.0337 . . . . . . . . . . 15451 1 23 . 1 1 27 27 GLN N N 15 . 1 1 27 27 GLN H H 1 0.7894 0.0395 . . . . . . . . . . 15451 1 24 . 1 1 28 28 CYS N N 15 . 1 1 28 28 CYS H H 1 0.7061 0.0353 . . . . . . . . . . 15451 1 25 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 0.6762 0.0338 . . . . . . . . . . 15451 1 26 . 1 1 30 30 LEU N N 15 . 1 1 30 30 LEU H H 1 0.7308 0.0365 . . . . . . . . . . 15451 1 27 . 1 1 31 31 ASP N N 15 . 1 1 31 31 ASP H H 1 0.709 0.0355 . . . . . . . . . . 15451 1 28 . 1 1 32 32 ALA N N 15 . 1 1 32 32 ALA H H 1 0.7761 0.0388 . . . . . . . . . . 15451 1 29 . 1 1 33 33 HIS N N 15 . 1 1 33 33 HIS H H 1 0.7495 0.0375 . . . . . . . . . . 15451 1 30 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.7664 0.0383 . . . . . . . . . . 15451 1 31 . 1 1 35 35 ILE N N 15 . 1 1 35 35 ILE H H 1 0.6427 0.0321 . . . . . . . . . . 15451 1 32 . 1 1 36 36 CYS N N 15 . 1 1 36 36 CYS H H 1 0.7357 0.0368 . . . . . . . . . . 15451 1 33 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.7741 0.0387 . . . . . . . . . . 15451 1 34 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.7196 0.036 . . . . . . . . . . 15451 1 35 . 1 1 39 39 ASP N N 15 . 1 1 39 39 ASP H H 1 0.7078 0.0354 . . . . . . . . . . 15451 1 36 . 1 1 40 40 ILE N N 15 . 1 1 40 40 ILE H H 1 0.7102 0.0355 . . . . . . . . . . 15451 1 37 . 1 1 41 41 GLN N N 15 . 1 1 41 41 GLN H H 1 0.6742 0.0337 . . . . . . . . . . 15451 1 38 . 1 1 42 42 LEU N N 15 . 1 1 42 42 LEU H H 1 0.7577 0.0379 . . . . . . . . . . 15451 1 39 . 1 1 43 43 ASP N N 15 . 1 1 43 43 ASP H H 1 0.8323 0.0416 . . . . . . . . . . 15451 1 40 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.8111 0.0406 . . . . . . . . . . 15451 1 41 . 1 1 46 46 ARG N N 15 . 1 1 46 46 ARG H H 1 0.8172 0.0409 . . . . . . . . . . 15451 1 42 . 1 1 47 47 SER N N 15 . 1 1 47 47 SER H H 1 0.724 0.0362 . . . . . . . . . . 15451 1 43 . 1 1 48 48 LEU N N 15 . 1 1 48 48 LEU H H 1 0.7478 0.0374 . . . . . . . . . . 15451 1 44 . 1 1 49 49 PHE N N 15 . 1 1 49 49 PHE H H 1 0.7387 0.0369 . . . . . . . . . . 15451 1 45 . 1 1 50 50 ASP N N 15 . 1 1 50 50 ASP H H 1 0.763 0.0382 . . . . . . . . . . 15451 1 46 . 1 1 51 51 GLN N N 15 . 1 1 51 51 GLN H H 1 0.7461 0.0373 . . . . . . . . . . 15451 1 47 . 1 1 52 52 GLY N N 15 . 1 1 52 52 GLY H H 1 0.7602 0.038 . . . . . . . . . . 15451 1 48 . 1 1 53 53 VAL N N 15 . 1 1 53 53 VAL H H 1 0.7737 0.0387 . . . . . . . . . . 15451 1 49 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.6292 0.0315 . . . . . . . . . . 15451 1 50 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.6403 0.032 . . . . . . . . . . 15451 1 51 . 1 1 56 56 ASP N N 15 . 1 1 56 56 ASP H H 1 0.6829 0.0341 . . . . . . . . . . 15451 1 52 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.6213 0.0311 . . . . . . . . . . 15451 1 53 . 1 1 58 58 THR N N 15 . 1 1 58 58 THR H H 1 0.6588 0.0329 . . . . . . . . . . 15451 1 54 . 1 1 59 59 VAL N N 15 . 1 1 59 59 VAL H H 1 0.7519 0.0376 . . . . . . . . . . 15451 1 55 . 1 1 60 60 GLN N N 15 . 1 1 60 60 GLN H H 1 0.7475 0.0374 . . . . . . . . . . 15451 1 56 . 1 1 61 61 LEU N N 15 . 1 1 61 61 LEU H H 1 0.808 0.0404 . . . . . . . . . . 15451 1 57 . 1 1 63 63 VAL N N 15 . 1 1 63 63 VAL H H 1 0.7103 0.0355 . . . . . . . . . . 15451 1 58 . 1 1 65 65 VAL N N 15 . 1 1 65 65 VAL H H 1 0.7641 0.0382 . . . . . . . . . . 15451 1 59 . 1 1 66 66 ILE N N 15 . 1 1 66 66 ILE H H 1 0.7609 0.038 . . . . . . . . . . 15451 1 60 . 1 1 67 67 SER N N 15 . 1 1 67 67 SER H H 1 0.7077 0.0354 . . . . . . . . . . 15451 1 61 . 1 1 68 68 TYR N N 15 . 1 1 68 68 TYR H H 1 0.4593 0.023 . . . . . . . . . . 15451 1 62 . 1 1 69 69 GLN N N 15 . 1 1 69 69 GLN H H 1 0.5452 0.0273 . . . . . . . . . . 15451 1 63 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.5679 0.0284 . . . . . . . . . . 15451 1 64 . 1 1 71 71 MET N N 15 . 1 1 71 71 MET H H 1 0.5901 0.0295 . . . . . . . . . . 15451 1 65 . 1 1 74 74 LYS N N 15 . 1 1 74 74 LYS H H 1 0.7339 0.0367 . . . . . . . . . . 15451 1 66 . 1 1 75 75 LEU N N 15 . 1 1 75 75 LEU H H 1 0.7122 0.0356 . . . . . . . . . . 15451 1 67 . 1 1 76 76 ASN N N 15 . 1 1 76 76 ASN H H 1 0.7531 0.0377 . . . . . . . . . . 15451 1 68 . 1 1 77 77 ILE N N 15 . 1 1 77 77 ILE H H 1 0.7453 0.0373 . . . . . . . . . . 15451 1 69 . 1 1 78 78 LEU N N 15 . 1 1 78 78 LEU H H 1 0.7682 0.0384 . . . . . . . . . . 15451 1 70 . 1 1 79 79 GLU N N 15 . 1 1 79 79 GLU H H 1 0.6969 0.0348 . . . . . . . . . . 15451 1 71 . 1 1 81 81 VAL N N 15 . 1 1 81 81 VAL H H 1 0.7313 0.0366 . . . . . . . . . . 15451 1 72 . 1 1 82 82 LYS N N 15 . 1 1 82 82 LYS H H 1 0.7111 0.0356 . . . . . . . . . . 15451 1 73 . 1 1 83 83 THR N N 15 . 1 1 83 83 THR H H 1 0.4504 0.0225 . . . . . . . . . . 15451 1 74 . 1 1 84 84 ALA N N 15 . 1 1 84 84 ALA H H 1 0.3417 0.0171 . . . . . . . . . . 15451 1 75 . 1 1 86 86 THR N N 15 . 1 1 86 86 THR H H 1 -0.2476 -0.0124 . . . . . . . . . . 15451 1 76 . 1 1 87 87 VAL N N 15 . 1 1 87 87 VAL H H 1 -0.5197 -0.026 . . . . . . . . . . 15451 1 77 . 1 1 88 88 GLU N N 15 . 1 1 88 88 GLU H H 1 -0.6805 -0.034 . . . . . . . . . . 15451 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 15451 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 16 'T1 T2 HNNOE' . . . 15451 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 ALA N N 15 0.5578 0.0242 . . . . . 15451 1 2 . 1 1 3 3 GLU N N 15 0.4996 0.0124 . . . . . 15451 1 3 . 1 1 4 4 CYS N N 15 0.5092 0.0072 . . . . . 15451 1 4 . 1 1 5 5 VAL N N 15 0.4558 0.0039 . . . . . 15451 1 5 . 1 1 6 6 SER N N 15 0.4542 0.0054 . . . . . 15451 1 6 . 1 1 7 7 GLN N N 15 0.4207 0.0048 . . . . . 15451 1 7 . 1 1 8 8 ALA N N 15 0.4211 0.0045 . . . . . 15451 1 8 . 1 1 9 9 ILE N N 15 0.4237 0.004 . . . . . 15451 1 9 . 1 1 10 10 ASP N N 15 0.4364 0.0036 . . . . . 15451 1 10 . 1 1 11 11 ILE N N 15 0.4395 0.002 . . . . . 15451 1 11 . 1 1 12 12 ASN N N 15 0.4264 0.0044 . . . . . 15451 1 12 . 1 1 13 13 GLU N N 15 0.42 0.0026 . . . . . 15451 1 13 . 1 1 15 15 ILE N N 15 0.4098 0.0033 . . . . . 15451 1 14 . 1 1 16 16 GLY N N 15 0.4043 0.0079 . . . . . 15451 1 15 . 1 1 17 17 ASN N N 15 0.4124 0.0042 . . . . . 15451 1 16 . 1 1 18 18 LEU N N 15 0.4037 0.0038 . . . . . 15451 1 17 . 1 1 19 19 LYS N N 15 0.4265 0.0016 . . . . . 15451 1 18 . 1 1 20 20 LYS N N 15 0.4647 0.0043 . . . . . 15451 1 19 . 1 1 21 21 LEU N N 15 0.4259 0.0023 . . . . . 15451 1 20 . 1 1 22 22 LEU N N 15 0.4351 0.003 . . . . . 15451 1 21 . 1 1 23 23 GLU N N 15 0.434 0.0028 . . . . . 15451 1 22 . 1 1 25 25 ARG N N 15 0.4484 0.003 . . . . . 15451 1 23 . 1 1 27 27 GLN N N 15 0.474 0.0056 . . . . . 15451 1 24 . 1 1 28 28 CYS N N 15 0.5005 0.0057 . . . . . 15451 1 25 . 1 1 29 29 SER N N 15 0.5256 0.0262 . . . . . 15451 1 26 . 1 1 30 30 LEU N N 15 0.4731 0.005 . . . . . 15451 1 27 . 1 1 31 31 ASP N N 15 0.4286 0.0012 . . . . . 15451 1 28 . 1 1 32 32 ALA N N 15 0.4286 0.0085 . . . . . 15451 1 29 . 1 1 33 33 HIS N N 15 0.4602 0.007 . . . . . 15451 1 30 . 1 1 34 34 GLU N N 15 0.4653 0.0034 . . . . . 15451 1 31 . 1 1 35 35 ILE N N 15 0.4886 0.0026 . . . . . 15451 1 32 . 1 1 36 36 CYS N N 15 0.4293 0.0035 . . . . . 15451 1 33 . 1 1 37 37 LEU N N 15 0.4364 0.0062 . . . . . 15451 1 34 . 1 1 38 38 GLN N N 15 0.4206 0.003 . . . . . 15451 1 35 . 1 1 39 39 ASP N N 15 0.4446 0.0024 . . . . . 15451 1 36 . 1 1 40 40 ILE N N 15 0.471 0.0028 . . . . . 15451 1 37 . 1 1 41 41 GLN N N 15 0.4617 0.002 . . . . . 15451 1 38 . 1 1 42 42 LEU N N 15 0.4465 0.0048 . . . . . 15451 1 39 . 1 1 43 43 ASP N N 15 0.4585 0.0047 . . . . . 15451 1 40 . 1 1 45 45 ASP N N 15 0.4269 0.0078 . . . . . 15451 1 41 . 1 1 46 46 ARG N N 15 0.459 0.0037 . . . . . 15451 1 42 . 1 1 47 47 SER N N 15 0.441 0.0056 . . . . . 15451 1 43 . 1 1 48 48 LEU N N 15 0.4247 0.0101 . . . . . 15451 1 44 . 1 1 49 49 PHE N N 15 0.4153 0.0034 . . . . . 15451 1 45 . 1 1 50 50 ASP N N 15 0.419 0.0024 . . . . . 15451 1 46 . 1 1 51 51 GLN N N 15 0.4657 0.0032 . . . . . 15451 1 47 . 1 1 52 52 GLY N N 15 0.4763 0.0021 . . . . . 15451 1 48 . 1 1 53 53 VAL N N 15 0.426 0.0042 . . . . . 15451 1 49 . 1 1 54 54 LYS N N 15 0.4715 0.0023 . . . . . 15451 1 50 . 1 1 55 55 THR N N 15 0.5584 0.0045 . . . . . 15451 1 51 . 1 1 56 56 ASP N N 15 0.4815 0.0069 . . . . . 15451 1 52 . 1 1 57 57 GLY N N 15 0.4792 0.0024 . . . . . 15451 1 53 . 1 1 58 58 THR N N 15 0.5102 0.0069 . . . . . 15451 1 54 . 1 1 59 59 VAL N N 15 0.4329 0.0037 . . . . . 15451 1 55 . 1 1 60 60 GLN N N 15 0.4292 0.0045 . . . . . 15451 1 56 . 1 1 61 61 LEU N N 15 0.4197 0.0033 . . . . . 15451 1 57 . 1 1 63 63 VAL N N 15 0.4346 0.0042 . . . . . 15451 1 58 . 1 1 65 65 VAL N N 15 0.4315 0.0052 . . . . . 15451 1 59 . 1 1 66 66 ILE N N 15 0.4304 0.006 . . . . . 15451 1 60 . 1 1 67 67 SER N N 15 0.4382 0.0061 . . . . . 15451 1 61 . 1 1 68 68 TYR N N 15 0.5776 0.0071 . . . . . 15451 1 62 . 1 1 69 69 GLN N N 15 0.4829 0.0104 . . . . . 15451 1 63 . 1 1 70 70 GLY N N 15 0.4908 0.122 . . . . . 15451 1 64 . 1 1 71 71 MET N N 15 0.4586 0.0018 . . . . . 15451 1 65 . 1 1 74 74 LYS N N 15 0.4362 0.0065 . . . . . 15451 1 66 . 1 1 75 75 LEU N N 15 0.4428 0.0069 . . . . . 15451 1 67 . 1 1 76 76 ASN N N 15 0.4452 0.0027 . . . . . 15451 1 68 . 1 1 77 77 ILE N N 15 0.4284 0.0026 . . . . . 15451 1 69 . 1 1 78 78 LEU N N 15 0.4109 0.0068 . . . . . 15451 1 70 . 1 1 79 79 GLU N N 15 0.452 0.0057 . . . . . 15451 1 71 . 1 1 81 81 VAL N N 15 0.4474 0.005 . . . . . 15451 1 72 . 1 1 82 82 LYS N N 15 0.4356 0.0077 . . . . . 15451 1 73 . 1 1 83 83 THR N N 15 0.4649 0.0095 . . . . . 15451 1 74 . 1 1 84 84 ALA N N 15 0.5448 0.0097 . . . . . 15451 1 75 . 1 1 86 86 THR N N 15 0.6184 0.0179 . . . . . 15451 1 76 . 1 1 87 87 VAL N N 15 0.6672 0.0053 . . . . . 15451 1 77 . 1 1 88 88 GLU N N 15 0.6829 0.0089 . . . . . 15451 1 78 . 1 1 89 89 TRP N N 15 0.852 0.0145 . . . . . 15451 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 15451 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type Nz _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 16 'T1 T2 HNNOE' . . . 15451 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 ALA N N 15 0.1686 0.0024 . . . . . . . 15451 1 2 . 1 1 3 3 GLU N N 15 0.1752 0.002 . . . . . . . 15451 1 3 . 1 1 4 4 CYS N N 15 0.1594 0.0041 . . . . . . . 15451 1 4 . 1 1 5 5 VAL N N 15 0.139 0.0007 . . . . . . . 15451 1 5 . 1 1 6 6 SER N N 15 0.1288 0.001 . . . . . . . 15451 1 6 . 1 1 7 7 GLN N N 15 0.1269 0.0007 . . . . . . . 15451 1 7 . 1 1 8 8 ALA N N 15 0.1213 0.0032 . . . . . . . 15451 1 8 . 1 1 9 9 ILE N N 15 0.1291 0.0003 . . . . . . . 15451 1 9 . 1 1 10 10 ASP N N 15 0.1369 0.001 . . . . . . . 15451 1 10 . 1 1 11 11 ILE N N 15 0.1175 0.0007 . . . . . . . 15451 1 11 . 1 1 12 12 ASN N N 15 0.1259 0.0007 . . . . . . . 15451 1 12 . 1 1 13 13 GLU N N 15 0.127 0.0003 . . . . . . . 15451 1 13 . 1 1 15 15 ILE N N 15 0.1275 0.002 . . . . . . . 15451 1 14 . 1 1 16 16 GLY N N 15 0.125 0.0008 . . . . . . . 15451 1 15 . 1 1 17 17 ASN N N 15 0.1178 0.0011 . . . . . . . 15451 1 16 . 1 1 18 18 LEU N N 15 0.1259 0.0006 . . . . . . . 15451 1 17 . 1 1 19 19 LYS N N 15 0.1299 0.0005 . . . . . . . 15451 1 18 . 1 1 20 20 LYS N N 15 0.1433 0.0003 . . . . . . . 15451 1 19 . 1 1 21 21 LEU N N 15 0.1302 0.0014 . . . . . . . 15451 1 20 . 1 1 22 22 LEU N N 15 0.1346 0.001 . . . . . . . 15451 1 21 . 1 1 23 23 GLU N N 15 0.1273 0.0005 . . . . . . . 15451 1 22 . 1 1 25 25 ARG N N 15 0.1405 0.0009 . . . . . . . 15451 1 23 . 1 1 27 27 GLN N N 15 0.1159 0.0007 . . . . . . . 15451 1 24 . 1 1 28 28 CYS N N 15 0.124 0.0011 . . . . . . . 15451 1 25 . 1 1 29 29 SER N N 15 0.1045 0.0012 . . . . . . . 15451 1 26 . 1 1 30 30 LEU N N 15 0.0831 0.0009 . . . . . . . 15451 1 27 . 1 1 31 31 ASP N N 15 0.1229 0.0014 . . . . . . . 15451 1 28 . 1 1 32 32 ALA N N 15 0.1067 0.001 . . . . . . . 15451 1 29 . 1 1 33 33 HIS N N 15 0.1017 0.0004 . . . . . . . 15451 1 30 . 1 1 34 34 GLU N N 15 0.1285 0.0005 . . . . . . . 15451 1 31 . 1 1 35 35 ILE N N 15 0.1462 0.0019 . . . . . . . 15451 1 32 . 1 1 36 36 CYS N N 15 0.1286 0.0005 . . . . . . . 15451 1 33 . 1 1 37 37 LEU N N 15 0.1302 0.0011 . . . . . . . 15451 1 34 . 1 1 38 38 GLN N N 15 0.1325 0.0019 . . . . . . . 15451 1 35 . 1 1 39 39 ASP N N 15 0.0918 0.0021 . . . . . . . 15451 1 36 . 1 1 40 40 ILE N N 15 0.1287 0.0007 . . . . . . . 15451 1 37 . 1 1 41 41 GLN N N 15 0.1446 0.0012 . . . . . . . 15451 1 38 . 1 1 42 42 LEU N N 15 0.133 0.0016 . . . . . . . 15451 1 39 . 1 1 43 43 ASP N N 15 0.1235 0.0015 . . . . . . . 15451 1 40 . 1 1 45 45 ASP N N 15 0.126 0.0015 . . . . . . . 15451 1 41 . 1 1 46 46 ARG N N 15 0.121 0.0005 . . . . . . . 15451 1 42 . 1 1 47 47 SER N N 15 0.1225 0.0003 . . . . . . . 15451 1 43 . 1 1 48 48 LEU N N 15 0.1224 0.0019 . . . . . . . 15451 1 44 . 1 1 49 49 PHE N N 15 0.1223 0.0017 . . . . . . . 15451 1 45 . 1 1 50 50 ASP N N 15 0.1241 0.0006 . . . . . . . 15451 1 46 . 1 1 51 51 GLN N N 15 0.1357 0.0021 . . . . . . . 15451 1 47 . 1 1 52 52 GLY N N 15 0.1299 0.0006 . . . . . . . 15451 1 48 . 1 1 53 53 VAL N N 15 0.1276 0.0008 . . . . . . . 15451 1 49 . 1 1 54 54 LYS N N 15 0.1489 0.0008 . . . . . . . 15451 1 50 . 1 1 55 55 THR N N 15 0.163 0.0013 . . . . . . . 15451 1 51 . 1 1 56 56 ASP N N 15 0.1359 0.0015 . . . . . . . 15451 1 52 . 1 1 57 57 GLY N N 15 0.1626 0.0026 . . . . . . . 15451 1 53 . 1 1 58 58 THR N N 15 0.1308 0.0016 . . . . . . . 15451 1 54 . 1 1 59 59 VAL N N 15 0.122 0.0009 . . . . . . . 15451 1 55 . 1 1 60 60 GLN N N 15 0.1281 0.0006 . . . . . . . 15451 1 56 . 1 1 61 61 LEU N N 15 0.1355 0.001 . . . . . . . 15451 1 57 . 1 1 63 63 VAL N N 15 0.1342 0.0018 . . . . . . . 15451 1 58 . 1 1 65 65 VAL N N 15 0.138 0.0007 . . . . . . . 15451 1 59 . 1 1 66 66 ILE N N 15 0.1314 0.0021 . . . . . . . 15451 1 60 . 1 1 67 67 SER N N 15 0.116 0.0016 . . . . . . . 15451 1 61 . 1 1 68 68 TYR N N 15 0.1551 0.0013 . . . . . . . 15451 1 62 . 1 1 69 69 GLN N N 15 0.1223 0.0022 . . . . . . . 15451 1 63 . 1 1 70 70 GLY N N 15 0.1312 0.0052 . . . . . . . 15451 1 64 . 1 1 71 71 MET N N 15 0.1345 0.0015 . . . . . . . 15451 1 65 . 1 1 74 74 LYS N N 15 0.1253 0.0035 . . . . . . . 15451 1 66 . 1 1 75 75 LEU N N 15 0.1297 0.0013 . . . . . . . 15451 1 67 . 1 1 76 76 ASN N N 15 0.1358 0.0008 . . . . . . . 15451 1 68 . 1 1 77 77 ILE N N 15 0.1308 0.0011 . . . . . . . 15451 1 69 . 1 1 78 78 LEU N N 15 0.1331 0.0018 . . . . . . . 15451 1 70 . 1 1 79 79 GLU N N 15 0.1412 0.0015 . . . . . . . 15451 1 71 . 1 1 81 81 VAL N N 15 0.1365 0.0008 . . . . . . . 15451 1 72 . 1 1 82 82 LYS N N 15 0.133 0.0009 . . . . . . . 15451 1 73 . 1 1 83 83 THR N N 15 0.129 0.0012 . . . . . . . 15451 1 74 . 1 1 84 84 ALA N N 15 0.1504 0.0026 . . . . . . . 15451 1 75 . 1 1 86 86 THR N N 15 0.184 0.0037 . . . . . . . 15451 1 76 . 1 1 87 87 VAL N N 15 0.2062 0.0025 . . . . . . . 15451 1 77 . 1 1 88 88 GLU N N 15 0.2677 0.0018 . . . . . . . 15451 1 78 . 1 1 89 89 TRP N N 15 0.4344 0.0031 . . . . . . . 15451 1 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_list_1 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_1 _Order_parameter_list.Entry_ID 15451 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions _Order_parameter_list.Tau_e_val_units s _Order_parameter_list.Tau_f_val_units s _Order_parameter_list.Tau_s_val_units s _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 16 'T1 T2 HNNOE' . . . 15451 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 2 2 ALA N N 15 0.6369 0.0609 2.09E-10 2.76E-10 . . . . . . . . . . . . . . . . . . . . . 15451 1 2 . 1 1 3 3 GLU N N 15 0.6232 0.0594 9.86E-11 2.83E-10 . . . . . . . . . . . . . . . . . . . . . 15451 1 3 . 1 1 4 4 CYS N N 15 0.6834 0.0645 1.24E-10 2.78E-10 . . . . . . . . . . . . . . . . . . . . . 15451 1 4 . 1 1 5 5 VAL N N 15 0.8278 0.0293 4.77E-11 2.40E-11 . . . . . . . . . . . . . . . . . . . . . 15451 1 5 . 1 1 6 6 SER N N 15 0.8826 0.0459 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 6 . 1 1 7 7 GLN N N 15 0.9158 0.0396 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 7 . 1 1 8 8 ALA N N 15 0.9137 0.0661 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 8 . 1 1 9 9 ILE N N 15 0.8999 0.0191 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 9 . 1 1 10 10 ASP N N 15 0.8590 0.0360 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 10 . 1 1 11 11 ILE N N 15 0.9245 0.0270 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 11 . 1 1 12 12 ASN N N 15 0.9043 0.0341 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 12 . 1 1 13 13 GLU N N 15 0.9140 0.0141 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 13 . 1 1 15 15 ILE N N 15 0.9319 0.0476 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 14 . 1 1 16 16 GLY N N 15 0.9152 0.0395 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 15 . 1 1 17 17 ASN N N 15 0.9517 0.0467 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 16 . 1 1 18 18 LEU N N 15 0.9288 0.0298 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 17 . 1 1 19 19 LYS N N 15 0.8948 0.0196 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 18 . 1 1 20 20 LYS N N 15 0.7906 0.0122 4.70E-11 1.64E-11 . . . . . . . . . . . . . . . . . . . . . 15451 1 19 . 1 1 21 21 LEU N N 15 0.8996 0.0326 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 20 . 1 1 22 22 LEU N N 15 0.8721 0.0361 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 21 . 1 1 23 23 GLU N N 15 0.8908 0.0244 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 22 . 1 1 25 25 ARG N N 15 0.8279 0.0324 5.42E-11 2.02E-11 . . . . . . . . . . . . . . . . . . . . . 15451 1 23 . 1 1 27 27 GLN N N 15 0.9116 0.0400 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 24 . 1 1 28 28 CYS N N 15 0.8467 0.0471 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 25 . 1 1 29 29 SER N N 15 0.9482 0.1153 3.83E-10 1.41E-09 . . . . . . . . . . . . . . . . . . . . . 15451 1 26 . 1 1 30 30 LEU N N 15 0.8319 0.0703 . . . . . . 4.6194 1.3788 . . . . . . . . . . . . . . . 15451 1 27 . 1 1 31 31 ASP N N 15 0.9013 0.0194 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 28 . 1 1 32 32 ALA N N 15 1.0000 0.0455 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 29 . 1 1 33 33 HIS N N 15 0.8314 0.1034 . . . . . . 2.6923 0.974 . . . . . . . . . . . . . . . 15451 1 30 . 1 1 34 34 GLU N N 15 0.8582 0.0227 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 31 . 1 1 35 35 ILE N N 15 0.7665 0.0316 4.76E-11 1.40E-11 . . . . . . . . . . . . . . . . . . . . . 15451 1 32 . 1 1 36 36 CYS N N 15 0.8936 0.0258 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 33 . 1 1 37 37 LEU N N 15 0.8778 0.0505 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 34 . 1 1 38 38 GLN N N 15 0.9068 0.0491 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 35 . 1 1 39 39 ASP N N 15 0.8798 0.0380 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 36 . 1 1 40 40 ILE N N 15 0.8542 0.0285 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 37 . 1 1 41 41 GLN N N 15 0.8215 0.0253 5.37E-11 1.73E-11 . . . . . . . . . . . . . . . . . . . . . 15451 1 38 . 1 1 42 42 LEU N N 15 0.8654 0.0588 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 39 . 1 1 43 43 ASP N N 15 0.8803 0.0593 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 40 . 1 1 45 45 ASP N N 15 0.8928 0.0643 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 41 . 1 1 46 46 ARG N N 15 0.9045 0.0259 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 42 . 1 1 47 47 SER N N 15 0.9255 0.0166 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 43 . 1 1 48 48 LEU N N 15 0.9327 0.0711 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 44 . 1 1 49 49 PHE N N 15 0.9305 0.0466 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 45 . 1 1 50 50 ASP N N 15 0.9286 0.0266 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 46 . 1 1 51 51 GLN N N 15 0.8464 0.0398 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 47 . 1 1 52 52 GLY N N 15 0.8436 0.0212 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 48 . 1 1 53 53 VAL N N 15 0.9060 0.0368 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 49 . 1 1 54 54 LYS N N 15 0.7818 0.0199 5.66E-11 1.59E-11 . . . . . . . . . . . . . . . . . . . . . 15451 1 50 . 1 1 55 55 THR N N 15 0.6817 0.0328 3.13E-11 9.96E-12 . . . . . . . . . . . . . . . . . . . . . 15451 1 51 . 1 1 56 56 ASP N N 15 0.8119 0.0552 4.41E-11 2.87E-10 . . . . . . . . . . . . . . . . . . . . . 15451 1 52 . 1 1 57 57 GLY N N 15 0.7683 0.0273 5.68E-11 1.50E-11 . . . . . . . . . . . . . . . . . . . . . 15451 1 53 . 1 1 58 58 THR N N 15 0.7983 0.0544 4.96E-11 3.65E-10 . . . . . . . . . . . . . . . . . . . . . 15451 1 54 . 1 1 59 59 VAL N N 15 0.9185 0.0448 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 55 . 1 1 60 60 GLN N N 15 0.9021 0.0307 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 56 . 1 1 61 61 LEU N N 15 0.8834 0.0395 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 57 . 1 1 63 63 VAL N N 15 0.8781 0.0557 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 58 . 1 1 65 65 VAL N N 15 0.8474 0.0307 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 59 . 1 1 66 66 ILE N N 15 0.8873 0.0730 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 60 . 1 1 67 67 SER N N 15 0.9296 0.0598 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 61 . 1 1 68 68 TYR N N 15 0.6834 0.0402 8.06E-11 1.77E-10 . . . . . . . . . . . . . . . . . . . . . 15451 1 62 . 1 1 69 69 GLN N N 15 0.8415 0.1123 1.57E-10 6.96E-10 . . . . . . . . . . . . . . . . . . . . . 15451 1 63 . 1 1 70 70 GLY N N 15 0.8189 0.2483 1.11E-10 1.04E-09 . . . . . . . . . . . . . . . . . . . . . 15451 1 64 . 1 1 71 71 MET N N 15 0.8081 0.0228 8.96E-11 2.18E-11 . . . . . . . . . . . . . . . . . . . . . 15451 1 65 . 1 1 74 74 LYS N N 15 0.8919 0.0810 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 66 . 1 1 75 75 LEU N N 15 0.8871 0.0623 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 67 . 1 1 76 76 ASN N N 15 0.8547 0.0329 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 68 . 1 1 77 77 ILE N N 15 0.8924 0.0335 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 69 . 1 1 78 78 LEU N N 15 0.8952 0.0647 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 70 . 1 1 79 79 GLU N N 15 0.8276 0.0522 3.62E-11 3.69E-10 . . . . . . . . . . . . . . . . . . . . . 15451 1 71 . 1 1 81 81 VAL N N 15 0.8526 0.0329 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 72 . 1 1 82 82 LYS N N 15 0.8801 0.0454 . . . . . . . . . . . . . . . . . . . . . . . 15451 1 73 . 1 1 83 83 THR N N 15 0.8294 0.0505 3.34E-10 3.68E-10 . . . . . . . . . . . . . . . . . . . . . 15451 1 74 . 1 1 84 84 ALA N N 15 0.6840 0.0775 1.22E-10 2.90E-10 . . . . . . . . . . . . . . . . . . . . . 15451 1 75 . 1 1 86 86 THR N N 15 0.5216 0.0790 2.18E-10 2.51E-10 . . . . . . . . . . . . . . . . . . . . . 15451 1 76 . 1 1 87 87 VAL N N 15 0.4194 0.0203 1.81E-10 3.86E-11 . . . . . . . . . . . . . . . . . . . . . 15451 1 77 . 1 1 88 88 GLU N N 15 0.3618 0.0233 1.52E-10 9.48E-11 . . . . . . . . . . . . . . . . . . . . . 15451 1 stop_ save_