data_15150 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15150 _Entry.Title ; Solution Structure and Binding Property of the Domain-swapped Dimer of ZO2PDZ2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-02-26 _Entry.Accession_date 2007-02-26 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 J. Wu J. W. . 15150 2 Y. Yang Y. S. . 15150 3 J. Zhang J. H. . 15150 4 P. Ji P. . . 15150 5 J. Wu J. H. . 15150 6 Y. Shi Y. Y. . 15150 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DOMAIN SWAPPING' 'DOMAIN SWAPPING' 15150 HOMODIMER HOMODIMER 15150 'NMR STRUCTURE' 'NMR STRUCTURE' 15150 'PDZ DOMAIN' 'PDZ DOMAIN' 15150 'TIGHT JUNCTION' 'TIGHT JUNCTION' 15150 ZO-2 ZO-2 15150 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15150 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 343 15150 '15N chemical shifts' 86 15150 '1H chemical shifts' 595 15150 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 . . 2008-07-02 2007-02-26 update BMRB 'complete entry citation' 15150 1 . . 2007-10-24 2007-02-26 original author 'original release' 15150 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2OSG . 15150 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15150 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17897942 _Citation.Full_citation . _Citation.Title 'Domain-swapped dimerization of the second PDZ domain of ZO2 may provide a structural basis for the polymerization of claudins' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 282 _Citation.Journal_issue 49 _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 35988 _Citation.Page_last 35999 _Citation.Year 2007 _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 J. Wu J. W. . 15150 1 2 Y. Yang Y. S. . 15150 1 3 J. Zhang J. H. . 15150 1 4 P. Ji P. . . 15150 1 5 W. Du . . . 15150 1 6 P. Jiang . . . 15150 1 7 D. Xie . . . 15150 1 8 H. Huang . . . 15150 1 9 M. Wu . . . 15150 1 10 G. Zhang . . . 15150 1 11 J. Wu J. H. . 15150 1 12 Y. Shi Y. Y. . 15150 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15150 _Assembly.ID 1 _Assembly.Name 'ZO2PDZ2 homodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 20163.34 _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 'subunit 1' 1 $ZO2PDZ2 A . yes native no no 1 . . 15150 1 2 'subunit 2' 1 $ZO2PDZ2 B . yes native no no 1 . . 15150 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ZO2PDZ2 _Entity.Sf_category entity _Entity.Sf_framecode ZO2PDZ2 _Entity.Entry_ID 15150 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ZO2PDZ2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MIGVLLMKSRANEEYGLRLG SQIFVKEMTRTGLATKDGNL HEGDIILKINGTVTENMSLT DARKLIEKSRGKLQLVVLRD SLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'ZO2PDZ2 domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 2OSG . "Solution Structure And Binding Property Of The Domain- Swapped Dimer Of Zo2pdz2" . . . . . 100.00 83 100.00 100.00 1.39e-49 . . . . 15150 1 2 no PDB 3E17 . "Crystal Structure Of The Second Pdz Domain From Human Zona Occludens-2" . . . . . 96.39 88 100.00 100.00 8.79e-48 . . . . 15150 1 3 no DBJ BAG11079 . "tight junction protein ZO-2 [synthetic construct]" . . . . . 96.39 1190 100.00 100.00 1.60e-42 . . . . 15150 1 4 no DBJ BAH11949 . "unnamed protein product [Homo sapiens]" . . . . . 96.39 1020 100.00 100.00 6.11e-42 . . . . 15150 1 5 no DBJ BAH11954 . "unnamed protein product [Homo sapiens]" . . . . . 96.39 1221 100.00 100.00 1.76e-42 . . . . 15150 1 6 no DBJ BAH13722 . "unnamed protein product [Homo sapiens]" . . . . . 96.39 1157 100.00 100.00 5.16e-42 . . . . 15150 1 7 no DBJ BAH14190 . "unnamed protein product [Homo sapiens]" . . . . . 96.39 1108 100.00 100.00 2.10e-42 . . . . 15150 1 8 no EMBL CAL37567 . "hypothetical protein [synthetic construct]" . . . . . 96.39 1190 100.00 100.00 1.69e-42 . . . . 15150 1 9 no EMBL CAL37590 . "hypothetical protein [synthetic construct]" . . . . . 96.39 1190 100.00 100.00 1.69e-42 . . . . 15150 1 10 no EMBL CAL37681 . "hypothetical protein [synthetic construct]" . . . . . 96.39 1190 100.00 100.00 1.69e-42 . . . . 15150 1 11 no EMBL CAL37845 . "hypothetical protein [synthetic construct]" . . . . . 96.39 1190 100.00 100.00 1.69e-42 . . . . 15150 1 12 no GB AAA61300 . "X104 [Homo sapiens]" . . . . . 96.39 1116 100.00 100.00 2.56e-42 . . . . 15150 1 13 no GB AAC02527 . "tight junction protein ZO-2 isoform C [Homo sapiens]" . . . . . 96.39 1167 100.00 100.00 2.22e-42 . . . . 15150 1 14 no GB AAD20387 . "tight junction protein ZO-2 isoform A [Homo sapiens]" . . . . . 96.39 1190 100.00 100.00 1.69e-42 . . . . 15150 1 15 no GB AAD56218 . "tight junction protein ZO-2 isoform A [Homo sapiens]" . . . . . 96.39 1043 100.00 100.00 4.47e-42 . . . . 15150 1 16 no GB AAD56219 . "tight junction protein ZO-2 isoform C [Homo sapiens]" . . . . . 96.39 1020 100.00 100.00 6.11e-42 . . . . 15150 1 17 no REF NP_001095952 . "tight junction protein ZO-2 [Bos taurus]" . . . . . 96.39 821 97.50 100.00 4.90e-42 . . . . 15150 1 18 no REF NP_001163885 . "tight junction protein ZO-2 isoform 5 [Homo sapiens]" . . . . . 96.39 1020 100.00 100.00 5.87e-42 . . . . 15150 1 19 no REF NP_001163886 . "tight junction protein ZO-2 isoform 4 [Homo sapiens]" . . . . . 96.39 1157 100.00 100.00 5.01e-42 . . . . 15150 1 20 no REF NP_001163887 . "tight junction protein ZO-2 isoform 3 [Homo sapiens]" . . . . . 96.39 1221 100.00 100.00 1.76e-42 . . . . 15150 1 21 no REF NP_001164101 . "tight junction protein ZO-2 isoform 6 [Homo sapiens]" . . . . . 96.39 993 100.00 100.00 7.93e-42 . . . . 15150 1 22 no SP Q9UDY2 . "RecName: Full=Tight junction protein ZO-2; AltName: Full=Tight junction protein 2; AltName: Full=Zona occludens protein 2; AltN" . . . . . 96.39 1190 100.00 100.00 1.69e-42 . . . . 15150 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'tight junction associated protein' 15150 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Alternative promoter usage' SWS-KEYWORD 15150 1 'Alternative splicing' SWS-KEYWORD 15150 1 'Disease mutation' SWS-KEYWORD 15150 1 Membrane SWS-KEYWORD 15150 1 'Nuclear protein' SWS-KEYWORD 15150 1 Phosphorylation SWS-KEYWORD 15150 1 Repeat SWS-KEYWORD 15150 1 'SH3 domain' SWS-KEYWORD 15150 1 'Tight junction' SWS-KEYWORD 15150 1 'Tight junction associated protein, Zonula occludens 2 protein, Zona occludens 2 protein, Tight junction protein 2' . 15150 1 'Tight junction protein 2' SWS-SYNONYM 15150 1 'Tight junction protein ZO-2' RCSB_NAME 15150 1 'Zona occludens 2 protein' SWS-SYNONYM 15150 1 'Zonula occludens 2 protein' SWS-SYNONYM 15150 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 . MET . 15150 1 2 . ILE . 15150 1 3 . GLY . 15150 1 4 . VAL . 15150 1 5 . LEU . 15150 1 6 . LEU . 15150 1 7 . MET . 15150 1 8 . LYS . 15150 1 9 . SER . 15150 1 10 . ARG . 15150 1 11 . ALA . 15150 1 12 . ASN . 15150 1 13 . GLU . 15150 1 14 . GLU . 15150 1 15 . TYR . 15150 1 16 . GLY . 15150 1 17 . LEU . 15150 1 18 . ARG . 15150 1 19 . LEU . 15150 1 20 . GLY . 15150 1 21 . SER . 15150 1 22 . GLN . 15150 1 23 . ILE . 15150 1 24 . PHE . 15150 1 25 . VAL . 15150 1 26 . LYS . 15150 1 27 . GLU . 15150 1 28 . MET . 15150 1 29 . THR . 15150 1 30 . ARG . 15150 1 31 . THR . 15150 1 32 . GLY . 15150 1 33 . LEU . 15150 1 34 . ALA . 15150 1 35 . THR . 15150 1 36 . LYS . 15150 1 37 . ASP . 15150 1 38 . GLY . 15150 1 39 . ASN . 15150 1 40 . LEU . 15150 1 41 . HIS . 15150 1 42 . GLU . 15150 1 43 . GLY . 15150 1 44 . ASP . 15150 1 45 . ILE . 15150 1 46 . ILE . 15150 1 47 . LEU . 15150 1 48 . LYS . 15150 1 49 . ILE . 15150 1 50 . ASN . 15150 1 51 . GLY . 15150 1 52 . THR . 15150 1 53 . VAL . 15150 1 54 . THR . 15150 1 55 . GLU . 15150 1 56 . ASN . 15150 1 57 . MET . 15150 1 58 . SER . 15150 1 59 . LEU . 15150 1 60 . THR . 15150 1 61 . ASP . 15150 1 62 . ALA . 15150 1 63 . ARG . 15150 1 64 . LYS . 15150 1 65 . LEU . 15150 1 66 . ILE . 15150 1 67 . GLU . 15150 1 68 . LYS . 15150 1 69 . SER . 15150 1 70 . ARG . 15150 1 71 . GLY . 15150 1 72 . LYS . 15150 1 73 . LEU . 15150 1 74 . GLN . 15150 1 75 . LEU . 15150 1 76 . VAL . 15150 1 77 . VAL . 15150 1 78 . LEU . 15150 1 79 . ARG . 15150 1 80 . ASP . 15150 1 81 . SER . 15150 1 82 . LEU . 15150 1 83 . GLU . 15150 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 15150 1 . ILE 2 2 15150 1 . GLY 3 3 15150 1 . VAL 4 4 15150 1 . LEU 5 5 15150 1 . LEU 6 6 15150 1 . MET 7 7 15150 1 . LYS 8 8 15150 1 . SER 9 9 15150 1 . ARG 10 10 15150 1 . ALA 11 11 15150 1 . ASN 12 12 15150 1 . GLU 13 13 15150 1 . GLU 14 14 15150 1 . TYR 15 15 15150 1 . GLY 16 16 15150 1 . LEU 17 17 15150 1 . ARG 18 18 15150 1 . LEU 19 19 15150 1 . GLY 20 20 15150 1 . SER 21 21 15150 1 . GLN 22 22 15150 1 . ILE 23 23 15150 1 . PHE 24 24 15150 1 . VAL 25 25 15150 1 . LYS 26 26 15150 1 . GLU 27 27 15150 1 . MET 28 28 15150 1 . THR 29 29 15150 1 . ARG 30 30 15150 1 . THR 31 31 15150 1 . GLY 32 32 15150 1 . LEU 33 33 15150 1 . ALA 34 34 15150 1 . THR 35 35 15150 1 . LYS 36 36 15150 1 . ASP 37 37 15150 1 . GLY 38 38 15150 1 . ASN 39 39 15150 1 . LEU 40 40 15150 1 . HIS 41 41 15150 1 . GLU 42 42 15150 1 . GLY 43 43 15150 1 . ASP 44 44 15150 1 . ILE 45 45 15150 1 . ILE 46 46 15150 1 . LEU 47 47 15150 1 . LYS 48 48 15150 1 . ILE 49 49 15150 1 . ASN 50 50 15150 1 . GLY 51 51 15150 1 . THR 52 52 15150 1 . VAL 53 53 15150 1 . THR 54 54 15150 1 . GLU 55 55 15150 1 . ASN 56 56 15150 1 . MET 57 57 15150 1 . SER 58 58 15150 1 . LEU 59 59 15150 1 . THR 60 60 15150 1 . ASP 61 61 15150 1 . ALA 62 62 15150 1 . ARG 63 63 15150 1 . LYS 64 64 15150 1 . LEU 65 65 15150 1 . ILE 66 66 15150 1 . GLU 67 67 15150 1 . LYS 68 68 15150 1 . SER 69 69 15150 1 . ARG 70 70 15150 1 . GLY 71 71 15150 1 . LYS 72 72 15150 1 . LEU 73 73 15150 1 . GLN 74 74 15150 1 . LEU 75 75 15150 1 . VAL 76 76 15150 1 . VAL 77 77 15150 1 . LEU 78 78 15150 1 . ARG 79 79 15150 1 . ASP 80 80 15150 1 . SER 81 81 15150 1 . LEU 82 82 15150 1 . GLU 83 83 15150 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 15150 _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 $ZO2PDZ2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . brain . . . . . . . . . . . . . . . . 15150 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 15150 _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 $ZO2PDZ2 . 'recombinant technology' 'Escherichia coli' Eubacteria . . . . BL21(DE3) . . . . . . . . . . . . . RI . 'pET22b (+)' . . . . . . 15150 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15150 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8mM ZO2PDZ2 domain, 20mM phosphate buffer (pH 6.5), 50mM NaCl, 1mM EDTA, 100% D2O' _Sample.Aggregate_sample_number 5 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ZO2PDZ2 'natural abundance' . . 1 $ZO2PDZ2 . . 0.8 . . mM 0.1 . . . 15150 1 2 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 15150 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 15150 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15150 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15150 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8mM 15N-labeled ZO2PDZ2 domain, 20mM phosphate buffer(pH 6.5), 50mM NaCl, 1mM EDTA, 90% H2O, 10% D2O' _Sample.Aggregate_sample_number 5 _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 ZO2PDZ2 '[U-100% 15N]' . . 1 $ZO2PDZ2 . . 0.8 . . mM 0.1 . . . 15150 2 2 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 15150 2 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 15150 2 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15150 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15150 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8mM 15N, 13C-labeled ZO2PDZ2 domain, 20mM phosphate buffer (pH 6.5), 50mM NaCl, 1mM EDTA, 100% D2O' _Sample.Aggregate_sample_number 5 _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 ZO2PDZ2 '[U-100% 13C; U-100% 15N]' . . 1 $ZO2PDZ2 . . 0.8 . . mM 0.1 . . . 15150 3 2 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 15150 3 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 15150 3 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15150 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15150 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8mM 15N, 13C-labeled ZO2PDZ2 domain, 20mM phosphate buffer (pH 6.5), 50mM NaCl, 1mM EDTA, 100% D2O' _Sample.Aggregate_sample_number 5 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ZO2PDZ2 '[U-100% 13C; U-100% 15N]' . . . . . . 0.8 . . mM 0.1 . . . 15150 4 2 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 15150 4 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 15150 4 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15150 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 15150 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4mM ZO2PDZ2 domain,0.4mM 15N, 13C-labeled ZO2PDZ2 domain, 20mM phosphate buffer (pH 6.5), 50mM NaCl, 1mM EDTA, 100% D2O' _Sample.Aggregate_sample_number 5 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ZO2PDZ2 '[U-100% 13C; U-100% 15N]' . . 1 $ZO2PDZ2 . . 0.4 . . mM 0.05 . . . 15150 5 2 ZO2PDZ2 'natural abundance' . . 1 $ZO2PDZ2 . . 0.4 . . mM 0.05 . . . 15150 5 3 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 15150 5 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 15150 5 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15150 5 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15150 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 70 . mM 15150 1 pH 6.5 . pH 15150 1 pressure 1 . atm 15150 1 temperature 310 . K 15150 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15150 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'A.T. Brunger' . . 15150 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15150 1 'structure solution' 15150 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15150 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'F. Delaglio and A. Bax' . . 15150 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15150 2 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 15150 _Software.ID 3 _Software.Name Molmol _Software.Version 2k.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Koradi . . 15150 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15150 3 stop_ save_ save_Talos _Software.Sf_category software _Software.Sf_framecode Talos _Software.Entry_ID 15150 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Cornilescu . . 15150 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15150 4 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 15150 _Software.ID 5 _Software.Name SPARKY _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T.D.Goddard and D.G.Kneller' . . 15150 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15150 5 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 15150 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15150 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 15150 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 15150 _Experiment_list.ID 1 _Experiment_list.Details 'Intermolecular interactions were identified in a 13C/15N-filtered (F1), 13C-edited(F3) 3D NOESY spectrum' 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 NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15150 1 2 '2D TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15150 1 3 3D_15N-separated_NOESY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15150 1 4 3D_13C-separated_NOESY no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15150 1 5 '3D_13C F1-filtered,F3-edited NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15150 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15150 1 7 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15150 1 8 '3D C(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15150 1 9 '3D H(CCO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15150 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15150 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15150 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15150 1 13 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15150 1 14 '3D HCACO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15150 1 15 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15150 1 16 '3D HN(CO)CA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15150 1 17 '3D HCCH-COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15150 1 18 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15150 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 15150 _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 water protons . . . . ppm 4.661 internal indirect 0.251449530 . . . . . . . . . 15150 1 H 1 water protons . . . . ppm 4.661 internal direct 1.0 . . . . . . . . . 15150 1 N 15 water protons . . . . ppm 4.661 internal indirect 0.101329118 . . . . . . . . . 15150 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 15150 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err 0.01 _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 3 3D_15N-separated_NOESY . . . 15150 1 4 3D_13C-separated_NOESY . . . 15150 1 6 '3D CBCA(CO)NH' . . . 15150 1 8 '3D C(CO)NH' . . . 15150 1 9 '3D H(CCO)NH' . . . 15150 1 13 '3D HNCO' . . . 15150 1 14 '3D HCACO' . . . 15150 1 17 '3D HCCH-COSY' . . . 15150 1 18 '3D HCCH-TOCSY' . . . 15150 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 5 $Sparky . . 15150 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 4.187 0.01 . 1 . . . . 1 M HA . 15150 1 2 . 1 1 1 1 MET HB2 H 1 1.981 0.01 . 1 . . . . 1 M HB# . 15150 1 3 . 1 1 1 1 MET HB3 H 1 1.981 0.01 . 1 . . . . 1 M HB# . 15150 1 4 . 1 1 1 1 MET HG2 H 1 2.503 0.01 . 1 . . . . 1 M HG2 . 15150 1 5 . 1 1 1 1 MET HG3 H 1 2.466 0.01 . 1 . . . . 1 M HG3 . 15150 1 6 . 1 1 1 1 MET C C 13 174.384 0.1 . 1 . . . . 1 M CO . 15150 1 7 . 1 1 1 1 MET CA C 13 55.944 0.1 . 1 . . . . 1 M CA . 15150 1 8 . 1 1 1 1 MET CB C 13 34.079 0.1 . 1 . . . . 1 M CB . 15150 1 9 . 1 1 1 1 MET CG C 13 31.584 0.1 . 1 . . . . 1 M CG . 15150 1 10 . 1 1 2 2 ILE H H 1 8.63 0.01 . 1 . . . . 2 I HN . 15150 1 11 . 1 1 2 2 ILE HA H 1 4.432 0.01 . 1 . . . . 2 I HA . 15150 1 12 . 1 1 2 2 ILE HB H 1 1.686 0.01 . 1 . . . . 2 I HB . 15150 1 13 . 1 1 2 2 ILE HG12 H 1 1.383 0.01 . 1 . . . . 2 I HG12 . 15150 1 14 . 1 1 2 2 ILE HG13 H 1 0.976 0.01 . 1 . . . . 2 I HG13 . 15150 1 15 . 1 1 2 2 ILE HG21 H 1 0.741 0.01 . 1 . . . . 2 I HG2# . 15150 1 16 . 1 1 2 2 ILE HG22 H 1 0.741 0.01 . 1 . . . . 2 I HG2# . 15150 1 17 . 1 1 2 2 ILE HG23 H 1 0.741 0.01 . 1 . . . . 2 I HG2# . 15150 1 18 . 1 1 2 2 ILE HD11 H 1 0.714 0.01 . 1 . . . . 2 I HD1# . 15150 1 19 . 1 1 2 2 ILE HD12 H 1 0.714 0.01 . 1 . . . . 2 I HD1# . 15150 1 20 . 1 1 2 2 ILE HD13 H 1 0.714 0.01 . 1 . . . . 2 I HD1# . 15150 1 21 . 1 1 2 2 ILE C C 13 174.431 0.1 . 1 . . . . 2 I CO . 15150 1 22 . 1 1 2 2 ILE CA C 13 60.519 0.1 . 1 . . . . 2 I CA . 15150 1 23 . 1 1 2 2 ILE CB C 13 41.035 0.1 . 1 . . . . 2 I CB . 15150 1 24 . 1 1 2 2 ILE CG1 C 13 27.207 0.1 . 1 . . . . 2 I CG1 . 15150 1 25 . 1 1 2 2 ILE CG2 C 13 17.449 0.1 . 1 . . . . 2 I CG2 . 15150 1 26 . 1 1 2 2 ILE CD1 C 13 13.538 0.1 . 1 . . . . 2 I CD1 . 15150 1 27 . 1 1 2 2 ILE N N 15 121.005 0.1 . 1 . . . . 2 I N . 15150 1 28 . 1 1 3 3 GLY H H 1 8.518 0.01 . 1 . . . . 3 G HN . 15150 1 29 . 1 1 3 3 GLY HA2 H 1 4.976 0.01 . 1 . . . . 3 G HA2 . 15150 1 30 . 1 1 3 3 GLY HA3 H 1 3.536 0.01 . 1 . . . . 3 G HA3 . 15150 1 31 . 1 1 3 3 GLY C C 13 173.08 0.1 . 1 . . . . 3 G CO . 15150 1 32 . 1 1 3 3 GLY CA C 13 44.486 0.1 . 1 . . . . 3 G CA . 15150 1 33 . 1 1 3 3 GLY N N 15 113.256 0.1 . 1 . . . . 3 G N . 15150 1 34 . 1 1 4 4 VAL H H 1 8.683 0.01 . 1 . . . . 4 V HN . 15150 1 35 . 1 1 4 4 VAL HA H 1 4.234 0.01 . 1 . . . . 4 V HA . 15150 1 36 . 1 1 4 4 VAL HB H 1 1.694 0.01 . 1 . . . . 4 V HB . 15150 1 37 . 1 1 4 4 VAL HG11 H 1 0.829 0.01 . 1 . . . . 4 V HG1# . 15150 1 38 . 1 1 4 4 VAL HG12 H 1 0.829 0.01 . 1 . . . . 4 V HG1# . 15150 1 39 . 1 1 4 4 VAL HG13 H 1 0.829 0.01 . 1 . . . . 4 V HG1# . 15150 1 40 . 1 1 4 4 VAL HG21 H 1 0.745 0.01 . 1 . . . . 4 V HG2# . 15150 1 41 . 1 1 4 4 VAL HG22 H 1 0.745 0.01 . 1 . . . . 4 V HG2# . 15150 1 42 . 1 1 4 4 VAL HG23 H 1 0.745 0.01 . 1 . . . . 4 V HG2# . 15150 1 43 . 1 1 4 4 VAL C C 13 173.079 0.1 . 1 . . . . 4 V CO . 15150 1 44 . 1 1 4 4 VAL CA C 13 61.596 0.1 . 1 . . . . 4 V CA . 15150 1 45 . 1 1 4 4 VAL CB C 13 35.801 0.1 . 1 . . . . 4 V CB . 15150 1 46 . 1 1 4 4 VAL CG1 C 13 21.331 0.1 . 1 . . . . 4 V CG# . 15150 1 47 . 1 1 4 4 VAL CG2 C 13 21.331 0.1 . 1 . . . . 4 V CG# . 15150 1 48 . 1 1 4 4 VAL N N 15 124.305 0.1 . 1 . . . . 4 V N . 15150 1 49 . 1 1 5 5 LEU H H 1 8.638 0.01 . 1 . . . . 5 L HN . 15150 1 50 . 1 1 5 5 LEU HA H 1 5.119 0.01 . 1 . . . . 5 L HA . 15150 1 51 . 1 1 5 5 LEU HB2 H 1 1.783 0.01 . 1 . . . . 5 L HB2 . 15150 1 52 . 1 1 5 5 LEU HB3 H 1 1.367 0.01 . 1 . . . . 5 L HB3 . 15150 1 53 . 1 1 5 5 LEU HG H 1 1.306 0.01 . 1 . . . . 5 L HG . 15150 1 54 . 1 1 5 5 LEU HD11 H 1 0.885 0.01 . 1 . . . . 5 L HD1# . 15150 1 55 . 1 1 5 5 LEU HD12 H 1 0.885 0.01 . 1 . . . . 5 L HD1# . 15150 1 56 . 1 1 5 5 LEU HD13 H 1 0.885 0.01 . 1 . . . . 5 L HD1# . 15150 1 57 . 1 1 5 5 LEU HD21 H 1 0.787 0.01 . 1 . . . . 5 L HD2# . 15150 1 58 . 1 1 5 5 LEU HD22 H 1 0.787 0.01 . 1 . . . . 5 L HD2# . 15150 1 59 . 1 1 5 5 LEU HD23 H 1 0.787 0.01 . 1 . . . . 5 L HD2# . 15150 1 60 . 1 1 5 5 LEU C C 13 174.951 0.1 . 1 . . . . 5 L CO . 15150 1 61 . 1 1 5 5 LEU CA C 13 53.639 0.1 . 1 . . . . 5 L CA . 15150 1 62 . 1 1 5 5 LEU CB C 13 43.819 0.1 . 1 . . . . 5 L CB . 15150 1 63 . 1 1 5 5 LEU CG C 13 27.949 0.1 . 1 . . . . 5 L CG . 15150 1 64 . 1 1 5 5 LEU CD1 C 13 25.692 0.1 . 1 . . . . 5 L CD1 . 15150 1 65 . 1 1 5 5 LEU CD2 C 13 23.76 0.1 . 1 . . . . 5 L CD2 . 15150 1 66 . 1 1 5 5 LEU N N 15 130.288 0.1 . 1 . . . . 5 L N . 15150 1 67 . 1 1 6 6 LEU H H 1 9.022 0.01 . 1 . . . . 6 L HN . 15150 1 68 . 1 1 6 6 LEU HA H 1 4.837 0.01 . 1 . . . . 6 L HA . 15150 1 69 . 1 1 6 6 LEU HB2 H 1 1.951 0.01 . 1 . . . . 6 L HB2 . 15150 1 70 . 1 1 6 6 LEU HB3 H 1 1.278 0.01 . 1 . . . . 6 L HB3 . 15150 1 71 . 1 1 6 6 LEU HG H 1 1.577 0.01 . 1 . . . . 6 L HG . 15150 1 72 . 1 1 6 6 LEU HD11 H 1 0.798 0.01 . 1 . . . . 6 L HD1# . 15150 1 73 . 1 1 6 6 LEU HD12 H 1 0.798 0.01 . 1 . . . . 6 L HD1# . 15150 1 74 . 1 1 6 6 LEU HD13 H 1 0.798 0.01 . 1 . . . . 6 L HD1# . 15150 1 75 . 1 1 6 6 LEU HD21 H 1 0.749 0.01 . 1 . . . . 6 L HD2# . 15150 1 76 . 1 1 6 6 LEU HD22 H 1 0.749 0.01 . 1 . . . . 6 L HD2# . 15150 1 77 . 1 1 6 6 LEU HD23 H 1 0.749 0.01 . 1 . . . . 6 L HD2# . 15150 1 78 . 1 1 6 6 LEU C C 13 174.891 0.1 . 1 . . . . 6 L CO . 15150 1 79 . 1 1 6 6 LEU CA C 13 52.93 0.1 . 1 . . . . 6 L CA . 15150 1 80 . 1 1 6 6 LEU CB C 13 43.404 0.1 . 1 . . . . 6 L CB . 15150 1 81 . 1 1 6 6 LEU CG C 13 25.761 0.1 . 1 . . . . 6 L CG . 15150 1 82 . 1 1 6 6 LEU CD1 C 13 23.613 0.1 . 1 . . . . 6 L CD1 . 15150 1 83 . 1 1 6 6 LEU N N 15 125.918 0.1 . 1 . . . . 6 L N . 15150 1 84 . 1 1 7 7 MET H H 1 8.743 0.01 . 1 . . . . 7 M HN . 15150 1 85 . 1 1 7 7 MET HA H 1 5.202 0.01 . 1 . . . . 7 M HA . 15150 1 86 . 1 1 7 7 MET HB2 H 1 2.031 0.01 . 1 . . . . 7 M HB2 . 15150 1 87 . 1 1 7 7 MET HB3 H 1 1.847 0.01 . 1 . . . . 7 M HB3 . 15150 1 88 . 1 1 7 7 MET HG2 H 1 2.433 0.01 . 1 . . . . 7 M HG# . 15150 1 89 . 1 1 7 7 MET HG3 H 1 2.433 0.01 . 1 . . . . 7 M HG# . 15150 1 90 . 1 1 7 7 MET C C 13 175.222 0.1 . 1 . . . . 7 M CO . 15150 1 91 . 1 1 7 7 MET CA C 13 53.947 0.1 . 1 . . . . 7 M CA . 15150 1 92 . 1 1 7 7 MET CB C 13 35.602 0.1 . 1 . . . . 7 M CB . 15150 1 93 . 1 1 7 7 MET CG C 13 31.916 0.1 . 1 . . . . 7 M CG . 15150 1 94 . 1 1 7 7 MET N N 15 122.193 0.1 . 1 . . . . 7 M N . 15150 1 95 . 1 1 8 8 LYS H H 1 8.481 0.01 . 1 . . . . 8 K HN . 15150 1 96 . 1 1 8 8 LYS HA H 1 4.311 0.01 . 1 . . . . 8 K HA . 15150 1 97 . 1 1 8 8 LYS HB2 H 1 1.848 0.01 . 1 . . . . 8 K HB2 . 15150 1 98 . 1 1 8 8 LYS HB3 H 1 1.558 0.01 . 1 . . . . 8 K HB3 . 15150 1 99 . 1 1 8 8 LYS HG2 H 1 1.184 0.01 . 1 . . . . 8 K HG . 15150 1 100 . 1 1 8 8 LYS HG3 H 1 1.184 0.01 . 1 . . . . 8 K HG . 15150 1 101 . 1 1 8 8 LYS C C 13 176.887 0.1 . 1 . . . . 8 K CO . 15150 1 102 . 1 1 8 8 LYS CA C 13 56.816 0.1 . 1 . . . . 8 K CA . 15150 1 103 . 1 1 8 8 LYS CB C 13 33.579 0.1 . 1 . . . . 8 K CB . 15150 1 104 . 1 1 8 8 LYS N N 15 123.912 0.1 . 1 . . . . 8 K N . 15150 1 105 . 1 1 9 9 SER H H 1 9.638 0.01 . 1 . . . . 9 S HN . 15150 1 106 . 1 1 9 9 SER HA H 1 4.572 0.01 . 1 . . . . 9 S HA . 15150 1 107 . 1 1 9 9 SER HB2 H 1 4.022 0.01 . 1 . . . . 9 S HB2 . 15150 1 108 . 1 1 9 9 SER HB3 H 1 3.906 0.01 . 1 . . . . 9 S HB3 . 15150 1 109 . 1 1 9 9 SER C C 13 174.346 0.1 . 1 . . . . 9 S CO . 15150 1 110 . 1 1 9 9 SER CA C 13 59.012 0.1 . 1 . . . . 9 S CA . 15150 1 111 . 1 1 9 9 SER CB C 13 64.911 0.1 . 1 . . . . 9 S CB . 15150 1 112 . 1 1 9 9 SER N N 15 120.657 0.1 . 1 . . . . 9 S N . 15150 1 113 . 1 1 10 10 ARG H H 1 7.947 0.01 . 1 . . . . 10 R HN . 15150 1 114 . 1 1 10 10 ARG HA H 1 4.525 0.01 . 1 . . . . 10 R HA . 15150 1 115 . 1 1 10 10 ARG HB2 H 1 1.962 0.01 . 1 . . . . 10 R HB2 . 15150 1 116 . 1 1 10 10 ARG HB3 H 1 1.686 0.01 . 1 . . . . 10 R HB3 . 15150 1 117 . 1 1 10 10 ARG HG2 H 1 1.607 0.01 . 1 . . . . 10 R HG# . 15150 1 118 . 1 1 10 10 ARG HG3 H 1 1.607 0.01 . 1 . . . . 10 R HG# . 15150 1 119 . 1 1 10 10 ARG HD2 H 1 3.197 0.01 . 1 . . . . 10 R HD# . 15150 1 120 . 1 1 10 10 ARG HD3 H 1 3.197 0.01 . 1 . . . . 10 R HD# . 15150 1 121 . 1 1 10 10 ARG C C 13 176.532 0.1 . 1 . . . . 10 R CO . 15150 1 122 . 1 1 10 10 ARG CA C 13 55.483 0.1 . 1 . . . . 10 R CA . 15150 1 123 . 1 1 10 10 ARG CB C 13 32.494 0.1 . 1 . . . . 10 R CB . 15150 1 124 . 1 1 10 10 ARG CD C 13 43.423 0.1 . 1 . . . . 10 R CD . 15150 1 125 . 1 1 10 10 ARG N N 15 119.865 0.1 . 1 . . . . 10 R N . 15150 1 126 . 1 1 11 11 ALA H H 1 8.889 0.01 . 1 . . . . 11 A HN . 15150 1 127 . 1 1 11 11 ALA HA H 1 4.05 0.01 . 1 . . . . 11 A HA . 15150 1 128 . 1 1 11 11 ALA HB1 H 1 1.368 0.01 . 1 . . . . 11 A HB# . 15150 1 129 . 1 1 11 11 ALA HB2 H 1 1.368 0.01 . 1 . . . . 11 A HB# . 15150 1 130 . 1 1 11 11 ALA HB3 H 1 1.368 0.01 . 1 . . . . 11 A HB# . 15150 1 131 . 1 1 11 11 ALA C C 13 177.877 0.1 . 1 . . . . 11 A CO . 15150 1 132 . 1 1 11 11 ALA CA C 13 54.25 0.1 . 1 . . . . 11 A CA . 15150 1 133 . 1 1 11 11 ALA CB C 13 18.73 0.1 . 1 . . . . 11 A CB . 15150 1 134 . 1 1 11 11 ALA N N 15 124.681 0.1 . 1 . . . . 11 A N . 15150 1 135 . 1 1 12 12 ASN H H 1 8.034 0.01 . 1 . . . . 12 N HN . 15150 1 136 . 1 1 12 12 ASN HA H 1 4.529 0.01 . 1 . . . . 12 N HA . 15150 1 137 . 1 1 12 12 ASN HB2 H 1 2.902 0.01 . 1 . . . . 12 N HB2 . 15150 1 138 . 1 1 12 12 ASN HB3 H 1 2.817 0.01 . 1 . . . . 12 N HB3 . 15150 1 139 . 1 1 12 12 ASN HD21 H 1 7.476 0.01 . 1 . . . . 12 N HD21 . 15150 1 140 . 1 1 12 12 ASN HD22 H 1 6.759 0.01 . 1 . . . . 12 N HD22 . 15150 1 141 . 1 1 12 12 ASN C C 13 175.344 0.1 . 1 . . . . 12 N CO . 15150 1 142 . 1 1 12 12 ASN CA C 13 53.173 0.1 . 1 . . . . 12 N CA . 15150 1 143 . 1 1 12 12 ASN CB C 13 37.3 0.1 . 1 . . . . 12 N CB . 15150 1 144 . 1 1 12 12 ASN N N 15 112.349 0.1 . 1 . . . . 12 N N . 15150 1 145 . 1 1 12 12 ASN ND2 N 15 111.118 0.1 . 1 . . . . 12 N ND2 . 15150 1 146 . 1 1 13 13 GLU H H 1 7.684 0.01 . 1 . . . . 13 E HN . 15150 1 147 . 1 1 13 13 GLU HA H 1 4.183 0.01 . 1 . . . . 13 E HA . 15150 1 148 . 1 1 13 13 GLU HB2 H 1 1.989 0.01 . 1 . . . . 13 E HB2 . 15150 1 149 . 1 1 13 13 GLU HB3 H 1 1.853 0.01 . 1 . . . . 13 E HB3 . 15150 1 150 . 1 1 13 13 GLU HG2 H 1 2.231 0.01 . 1 . . . . 13 E HG# . 15150 1 151 . 1 1 13 13 GLU HG3 H 1 2.231 0.01 . 1 . . . . 13 E HG# . 15150 1 152 . 1 1 13 13 GLU C C 13 175.108 0.1 . 1 . . . . 13 E CO . 15150 1 153 . 1 1 13 13 GLU CA C 13 56.677 0.1 . 1 . . . . 13 E CA . 15150 1 154 . 1 1 13 13 GLU CB C 13 31.18 0.1 . 1 . . . . 13 E CB . 15150 1 155 . 1 1 13 13 GLU CG C 13 37.348 0.1 . 1 . . . . 13 E CG . 15150 1 156 . 1 1 13 13 GLU N N 15 120.408 0.1 . 1 . . . . 13 E N . 15150 1 157 . 1 1 14 14 GLU H H 1 8.315 0.01 . 1 . . . . 14 E HN . 15150 1 158 . 1 1 14 14 GLU HA H 1 4.485 0.01 . 1 . . . . 14 E HA . 15150 1 159 . 1 1 14 14 GLU HB2 H 1 2.191 0.01 . 1 . . . . 14 E HB2 . 15150 1 160 . 1 1 14 14 GLU HB3 H 1 1.807 0.01 . 1 . . . . 14 E HB3 . 15150 1 161 . 1 1 14 14 GLU C C 13 174.081 0.1 . 1 . . . . 14 E CO . 15150 1 162 . 1 1 14 14 GLU CA C 13 53.951 0.1 . 1 . . . . 14 E CA . 15150 1 163 . 1 1 14 14 GLU CB C 13 31.632 0.1 . 1 . . . . 14 E CB . 15150 1 164 . 1 1 14 14 GLU N N 15 119.187 0.1 . 1 . . . . 14 E N . 15150 1 165 . 1 1 15 15 TYR H H 1 8.907 0.01 . 1 . . . . 15 Y HN . 15150 1 166 . 1 1 15 15 TYR HA H 1 4.29 0.01 . 1 . . . . 15 Y HA . 15150 1 167 . 1 1 15 15 TYR HB2 H 1 3.095 0.01 . 1 . . . . 15 Y HB2 . 15150 1 168 . 1 1 15 15 TYR HB3 H 1 2.838 0.01 . 1 . . . . 15 Y HB3 . 15150 1 169 . 1 1 15 15 TYR HD1 H 1 6.99 0.01 . 1 . . . . 15 Y HD# . 15150 1 170 . 1 1 15 15 TYR HD2 H 1 6.99 0.01 . 1 . . . . 15 Y HD# . 15150 1 171 . 1 1 15 15 TYR HE1 H 1 6.6 0.01 . 1 . . . . 15 Y HE# . 15150 1 172 . 1 1 15 15 TYR HE2 H 1 6.6 0.01 . 1 . . . . 15 Y HE# . 15150 1 173 . 1 1 15 15 TYR C C 13 177.31 0.1 . 1 . . . . 15 Y CO . 15150 1 174 . 1 1 15 15 TYR CA C 13 61.337 0.1 . 1 . . . . 15 Y CA . 15150 1 175 . 1 1 15 15 TYR CB C 13 37.472 0.1 . 1 . . . . 15 Y CB . 15150 1 176 . 1 1 15 15 TYR N N 15 124.13 0.1 . 1 . . . . 15 Y N . 15150 1 177 . 1 1 16 16 GLY H H 1 8.562 0.01 . 1 . . . . 16 G HN . 15150 1 178 . 1 1 16 16 GLY HA2 H 1 4.077 0.01 . 1 . . . . 16 G HA2 . 15150 1 179 . 1 1 16 16 GLY HA3 H 1 3.862 0.01 . 1 . . . . 16 G HA3 . 15150 1 180 . 1 1 16 16 GLY C C 13 174.401 0.1 . 1 . . . . 16 G CO . 15150 1 181 . 1 1 16 16 GLY CA C 13 47.816 0.1 . 1 . . . . 16 G CA . 15150 1 182 . 1 1 16 16 GLY N N 15 104.863 0.1 . 1 . . . . 16 G N . 15150 1 183 . 1 1 17 17 LEU H H 1 7.674 0.01 . 1 . . . . 17 L HN . 15150 1 184 . 1 1 17 17 LEU HA H 1 4.782 0.01 . 1 . . . . 17 L HA . 15150 1 185 . 1 1 17 17 LEU HB2 H 1 1.318 0.01 . 1 . . . . 17 L HB# . 15150 1 186 . 1 1 17 17 LEU HB3 H 1 1.318 0.01 . 1 . . . . 17 L HB# . 15150 1 187 . 1 1 17 17 LEU HG H 1 0.643 0.01 . 1 . . . . 17 L HG . 15150 1 188 . 1 1 17 17 LEU HD11 H 1 0.619 0.01 . 1 . . . . 17 L HD1# . 15150 1 189 . 1 1 17 17 LEU HD12 H 1 0.619 0.01 . 1 . . . . 17 L HD1# . 15150 1 190 . 1 1 17 17 LEU HD13 H 1 0.619 0.01 . 1 . . . . 17 L HD1# . 15150 1 191 . 1 1 17 17 LEU HD21 H 1 0.538 0.01 . 1 . . . . 17 L HD2# . 15150 1 192 . 1 1 17 17 LEU HD22 H 1 0.538 0.01 . 1 . . . . 17 L HD2# . 15150 1 193 . 1 1 17 17 LEU HD23 H 1 0.538 0.01 . 1 . . . . 17 L HD2# . 15150 1 194 . 1 1 17 17 LEU C C 13 174.851 0.1 . 1 . . . . 17 L CO . 15150 1 195 . 1 1 17 17 LEU CA C 13 53.736 0.1 . 1 . . . . 17 L CA . 15150 1 196 . 1 1 17 17 LEU CB C 13 45.296 0.1 . 1 . . . . 17 L CB . 15150 1 197 . 1 1 17 17 LEU CG C 13 26.739 0.1 . 1 . . . . 17 L CG . 15150 1 198 . 1 1 17 17 LEU CD1 C 13 25.789 0.1 . 1 . . . . 17 L CD# . 15150 1 199 . 1 1 17 17 LEU CD2 C 13 25.789 0.1 . 1 . . . . 17 L CD# . 15150 1 200 . 1 1 17 17 LEU N N 15 119.134 0.1 . 1 . . . . 17 L N . 15150 1 201 . 1 1 18 18 ARG H H 1 8.717 0.01 . 1 . . . . 18 R HN . 15150 1 202 . 1 1 18 18 ARG HA H 1 4.786 0.01 . 1 . . . . 18 R HA . 15150 1 203 . 1 1 18 18 ARG HB2 H 1 1.788 0.01 . 1 . . . . 18 R HB2 . 15150 1 204 . 1 1 18 18 ARG HB3 H 1 1.723 0.01 . 1 . . . . 18 R HB3 . 15150 1 205 . 1 1 18 18 ARG HG2 H 1 1.614 0.01 . 1 . . . . 18 R HG2 . 15150 1 206 . 1 1 18 18 ARG HG3 H 1 1.418 0.01 . 1 . . . . 18 R HG3 . 15150 1 207 . 1 1 18 18 ARG HD2 H 1 3.08 0.01 . 1 . . . . 18 R HD# . 15150 1 208 . 1 1 18 18 ARG HD3 H 1 3.08 0.01 . 1 . . . . 18 R HD# . 15150 1 209 . 1 1 18 18 ARG C C 13 175.316 0.1 . 1 . . . . 18 R CO . 15150 1 210 . 1 1 18 18 ARG CA C 13 54.746 0.1 . 1 . . . . 18 R CA . 15150 1 211 . 1 1 18 18 ARG CB C 13 31.438 0.1 . 1 . . . . 18 R CB . 15150 1 212 . 1 1 18 18 ARG CG C 13 27.134 0.1 . 1 . . . . 18 R CG . 15150 1 213 . 1 1 18 18 ARG CD C 13 43.564 0.1 . 1 . . . . 18 R CD . 15150 1 214 . 1 1 18 18 ARG N N 15 124.652 0.1 . 1 . . . . 18 R N . 15150 1 215 . 1 1 19 19 LEU H H 1 8.974 0.01 . 1 . . . . 19 L HN . 15150 1 216 . 1 1 19 19 LEU HA H 1 4.785 0.01 . 1 . . . . 19 L HA . 15150 1 217 . 1 1 19 19 LEU HB2 H 1 1.609 0.01 . 1 . . . . 19 L HB2 . 15150 1 218 . 1 1 19 19 LEU HB3 H 1 1.276 0.01 . 1 . . . . 19 L HB3 . 15150 1 219 . 1 1 19 19 LEU HG H 1 1.286 0.01 . 1 . . . . 19 L HG . 15150 1 220 . 1 1 19 19 LEU HD11 H 1 0.7 0.01 . 1 . . . . 19 L HD1# . 15150 1 221 . 1 1 19 19 LEU HD12 H 1 0.7 0.01 . 1 . . . . 19 L HD1# . 15150 1 222 . 1 1 19 19 LEU HD13 H 1 0.7 0.01 . 1 . . . . 19 L HD1# . 15150 1 223 . 1 1 19 19 LEU HD21 H 1 0.475 0.01 . 1 . . . . 19 L HD2# . 15150 1 224 . 1 1 19 19 LEU HD22 H 1 0.475 0.01 . 1 . . . . 19 L HD2# . 15150 1 225 . 1 1 19 19 LEU HD23 H 1 0.475 0.01 . 1 . . . . 19 L HD2# . 15150 1 226 . 1 1 19 19 LEU C C 13 176.002 0.1 . 1 . . . . 19 L CO . 15150 1 227 . 1 1 19 19 LEU CA C 13 53.51 0.1 . 1 . . . . 19 L CA . 15150 1 228 . 1 1 19 19 LEU CB C 13 44.098 0.1 . 1 . . . . 19 L CB . 15150 1 229 . 1 1 19 19 LEU CG C 13 26.608 0.1 . 1 . . . . 19 L CG . 15150 1 230 . 1 1 19 19 LEU CD1 C 13 25.371 0.1 . 1 . . . . 19 L CD1 . 15150 1 231 . 1 1 19 19 LEU CD2 C 13 22.661 0.1 . 1 . . . . 19 L CD2 . 15150 1 232 . 1 1 19 19 LEU N N 15 125.679 0.1 . 1 . . . . 19 L N . 15150 1 233 . 1 1 20 20 GLY H H 1 8.255 0.01 . 1 . . . . 20 G HN . 15150 1 234 . 1 1 20 20 GLY HA2 H 1 4.471 0.01 . 1 . . . . 20 G HA2 . 15150 1 235 . 1 1 20 20 GLY HA3 H 1 3.024 0.01 . 1 . . . . 20 G HA3 . 15150 1 236 . 1 1 20 20 GLY C C 13 171.772 0.1 . 1 . . . . 20 G CO . 15150 1 237 . 1 1 20 20 GLY CA C 13 44.212 0.1 . 1 . . . . 20 G CA . 15150 1 238 . 1 1 20 20 GLY N N 15 108.431 0.1 . 1 . . . . 20 G N . 15150 1 239 . 1 1 21 21 SER H H 1 8.591 0.01 . 1 . . . . 21 S HN . 15150 1 240 . 1 1 21 21 SER HA H 1 6.052 0.01 . 1 . . . . 21 S HA . 15150 1 241 . 1 1 21 21 SER HB2 H 1 4.015 0.01 . 1 . . . . 21 S HB2 . 15150 1 242 . 1 1 21 21 SER HB3 H 1 3.578 0.01 . 1 . . . . 21 S HB3 . 15150 1 243 . 1 1 21 21 SER C C 13 173.76 0.1 . 1 . . . . 21 S CO . 15150 1 244 . 1 1 21 21 SER CA C 13 57.114 0.1 . 1 . . . . 21 S CA . 15150 1 245 . 1 1 21 21 SER CB C 13 67.732 0.1 . 1 . . . . 21 S CB . 15150 1 246 . 1 1 21 21 SER N N 15 112.698 0.1 . 1 . . . . 21 S N . 15150 1 247 . 1 1 22 22 GLN H H 1 9.385 0.01 . 1 . . . . 22 Q HN . 15150 1 248 . 1 1 22 22 GLN HA H 1 5.116 0.01 . 1 . . . . 22 Q HA . 15150 1 249 . 1 1 22 22 GLN HB2 H 1 2.112 0.01 . 1 . . . . 22 Q HB2 . 15150 1 250 . 1 1 22 22 GLN HB3 H 1 1.918 0.01 . 1 . . . . 22 Q HB3 . 15150 1 251 . 1 1 22 22 GLN HG2 H 1 2.343 0.01 . 1 . . . . 22 Q HG2 . 15150 1 252 . 1 1 22 22 GLN HG3 H 1 2.21 0.01 . 1 . . . . 22 Q HG3 . 15150 1 253 . 1 1 22 22 GLN HE21 H 1 6.782 0.01 . 1 . . . . 22 Q HE21 . 15150 1 254 . 1 1 22 22 GLN HE22 H 1 6.094 0.01 . 1 . . . . 22 Q HE22 . 15150 1 255 . 1 1 22 22 GLN C C 13 174.264 0.1 . 1 . . . . 22 Q CO . 15150 1 256 . 1 1 22 22 GLN CA C 13 53.707 0.1 . 1 . . . . 22 Q CA . 15150 1 257 . 1 1 22 22 GLN CB C 13 32.049 0.1 . 1 . . . . 22 Q CB . 15150 1 258 . 1 1 22 22 GLN CG C 13 32.543 0.1 . 1 . . . . 22 Q CG . 15150 1 259 . 1 1 22 22 GLN N N 15 120.509 0.1 . 1 . . . . 22 Q N . 15150 1 260 . 1 1 22 22 GLN NE2 N 15 107.284 0.1 . 1 . . . . 22 Q NE2 . 15150 1 261 . 1 1 23 23 ILE H H 1 8.983 0.01 . 1 . . . . 23 I HN . 15150 1 262 . 1 1 23 23 ILE HA H 1 5.075 0.01 . 1 . . . . 23 I HA . 15150 1 263 . 1 1 23 23 ILE HB H 1 1.96 0.01 . 1 . . . . 23 I HB . 15150 1 264 . 1 1 23 23 ILE HG12 H 1 1.807 0.01 . 1 . . . . 23 I HG12 . 15150 1 265 . 1 1 23 23 ILE HG13 H 1 1.308 0.01 . 1 . . . . 23 I HG13 . 15150 1 266 . 1 1 23 23 ILE HG21 H 1 0.919 0.01 . 1 . . . . 23 I HG2# . 15150 1 267 . 1 1 23 23 ILE HG22 H 1 0.919 0.01 . 1 . . . . 23 I HG2# . 15150 1 268 . 1 1 23 23 ILE HG23 H 1 0.919 0.01 . 1 . . . . 23 I HG2# . 15150 1 269 . 1 1 23 23 ILE HD11 H 1 0.724 0.01 . 1 . . . . 23 I HD1# . 15150 1 270 . 1 1 23 23 ILE HD12 H 1 0.724 0.01 . 1 . . . . 23 I HD1# . 15150 1 271 . 1 1 23 23 ILE HD13 H 1 0.724 0.01 . 1 . . . . 23 I HD1# . 15150 1 272 . 1 1 23 23 ILE C C 13 174.688 0.1 . 1 . . . . 23 I CO . 15150 1 273 . 1 1 23 23 ILE CA C 13 57.516 0.1 . 1 . . . . 23 I CA . 15150 1 274 . 1 1 23 23 ILE CB C 13 37.696 0.1 . 1 . . . . 23 I CB . 15150 1 275 . 1 1 23 23 ILE CG1 C 13 27.695 0.1 . 1 . . . . 23 I CG1 . 15150 1 276 . 1 1 23 23 ILE CG2 C 13 19.692 0.1 . 1 . . . . 23 I CG2 . 15150 1 277 . 1 1 23 23 ILE CD1 C 13 10.118 0.1 . 1 . . . . 23 I CD1 . 15150 1 278 . 1 1 23 23 ILE N N 15 123.185 0.1 . 1 . . . . 23 I N . 15150 1 279 . 1 1 24 24 PHE H H 1 8.766 0.01 . 1 . . . . 24 F HN . 15150 1 280 . 1 1 24 24 PHE HA H 1 5.787 0.01 . 1 . . . . 24 F HA . 15150 1 281 . 1 1 24 24 PHE HB2 H 1 2.825 0.01 . 1 . . . . 24 F HB2 . 15150 1 282 . 1 1 24 24 PHE HB3 H 1 2.588 0.01 . 1 . . . . 24 F HB3 . 15150 1 283 . 1 1 24 24 PHE HD1 H 1 6.788 0.01 . 1 . . . . 24 F HD# . 15150 1 284 . 1 1 24 24 PHE HD2 H 1 6.788 0.01 . 1 . . . . 24 F HD# . 15150 1 285 . 1 1 24 24 PHE HE1 H 1 7.162 0.01 . 1 . . . . 24 F HE# . 15150 1 286 . 1 1 24 24 PHE HE2 H 1 7.162 0.01 . 1 . . . . 24 F HE# . 15150 1 287 . 1 1 24 24 PHE HZ H 1 7.339 0.01 . 1 . . . . 24 F HZ . 15150 1 288 . 1 1 24 24 PHE C C 13 173.603 0.1 . 1 . . . . 24 F CO . 15150 1 289 . 1 1 24 24 PHE CA C 13 54.43 0.1 . 1 . . . . 24 F CA . 15150 1 290 . 1 1 24 24 PHE CB C 13 44.056 0.1 . 1 . . . . 24 F CB . 15150 1 291 . 1 1 24 24 PHE N N 15 122.769 0.1 . 1 . . . . 24 F N . 15150 1 292 . 1 1 25 25 VAL H H 1 8.886 0.01 . 1 . . . . 25 V HN . 15150 1 293 . 1 1 25 25 VAL HA H 1 3.629 0.01 . 1 . . . . 25 V HA . 15150 1 294 . 1 1 25 25 VAL HB H 1 2.41 0.01 . 1 . . . . 25 V HB . 15150 1 295 . 1 1 25 25 VAL HG11 H 1 0.923 0.01 . 1 . . . . 25 V HG1# . 15150 1 296 . 1 1 25 25 VAL HG12 H 1 0.923 0.01 . 1 . . . . 25 V HG1# . 15150 1 297 . 1 1 25 25 VAL HG13 H 1 0.923 0.01 . 1 . . . . 25 V HG1# . 15150 1 298 . 1 1 25 25 VAL HG21 H 1 0.712 0.01 . 1 . . . . 25 V HG2# . 15150 1 299 . 1 1 25 25 VAL HG22 H 1 0.712 0.01 . 1 . . . . 25 V HG2# . 15150 1 300 . 1 1 25 25 VAL HG23 H 1 0.712 0.01 . 1 . . . . 25 V HG2# . 15150 1 301 . 1 1 25 25 VAL C C 13 174.141 0.1 . 1 . . . . 25 V CO . 15150 1 302 . 1 1 25 25 VAL CA C 13 63.292 0.1 . 1 . . . . 25 V CA . 15150 1 303 . 1 1 25 25 VAL CB C 13 31.494 0.1 . 1 . . . . 25 V CB . 15150 1 304 . 1 1 25 25 VAL CG1 C 13 21.992 0.1 . 1 . . . . 25 V CG# . 15150 1 305 . 1 1 25 25 VAL CG2 C 13 21.992 0.1 . 1 . . . . 25 V CG# . 15150 1 306 . 1 1 25 25 VAL N N 15 119.076 0.1 . 1 . . . . 25 V N . 15150 1 307 . 1 1 26 26 LYS H H 1 8.503 0.01 . 1 . . . . 26 K HN . 15150 1 308 . 1 1 26 26 LYS HA H 1 4.35 0.01 . 1 . . . . 26 K HA . 15150 1 309 . 1 1 26 26 LYS HB2 H 1 1.398 0.01 . 1 . . . . 26 K HB2 . 15150 1 310 . 1 1 26 26 LYS HB3 H 1 1.014 0.01 . 1 . . . . 26 K HB3 . 15150 1 311 . 1 1 26 26 LYS HG2 H 1 1.381 0.01 . 1 . . . . 26 K HG2 . 15150 1 312 . 1 1 26 26 LYS HG3 H 1 1.294 0.01 . 1 . . . . 26 K HG3 . 15150 1 313 . 1 1 26 26 LYS HD2 H 1 1.66 0.01 . 1 . . . . 26 K HD# . 15150 1 314 . 1 1 26 26 LYS HD3 H 1 1.66 0.01 . 1 . . . . 26 K HD# . 15150 1 315 . 1 1 26 26 LYS C C 13 175.498 0.1 . 1 . . . . 26 K CO . 15150 1 316 . 1 1 26 26 LYS CA C 13 57.208 0.1 . 1 . . . . 26 K CA . 15150 1 317 . 1 1 26 26 LYS CB C 13 33.268 0.1 . 1 . . . . 26 K CB . 15150 1 318 . 1 1 26 26 LYS CG C 13 24.863 0.1 . 1 . . . . 26 K CG . 15150 1 319 . 1 1 26 26 LYS CD C 13 28.92 0.1 . 1 . . . . 26 K CD . 15150 1 320 . 1 1 26 26 LYS CE C 13 42.389 0.1 . 1 . . . . 26 K CE . 15150 1 321 . 1 1 26 26 LYS N N 15 133.194 0.1 . 1 . . . . 26 K N . 15150 1 322 . 1 1 27 27 GLU H H 1 7.78 0.01 . 1 . . . . 27 E HN . 15150 1 323 . 1 1 27 27 GLU HA H 1 4.617 0.01 . 1 . . . . 27 E HA . 15150 1 324 . 1 1 27 27 GLU HB2 H 1 1.864 0.01 . 1 . . . . 27 E HB# . 15150 1 325 . 1 1 27 27 GLU HB3 H 1 1.864 0.01 . 1 . . . . 27 E HB# . 15150 1 326 . 1 1 27 27 GLU HG2 H 1 2.184 0.01 . 1 . . . . 27 E HG2 . 15150 1 327 . 1 1 27 27 GLU HG3 H 1 1.975 0.01 . 1 . . . . 27 E HG3 . 15150 1 328 . 1 1 27 27 GLU C C 13 173.739 0.1 . 1 . . . . 27 E CO . 15150 1 329 . 1 1 27 27 GLU CA C 13 55.123 0.1 . 1 . . . . 27 E CA . 15150 1 330 . 1 1 27 27 GLU CB C 13 34.489 0.1 . 1 . . . . 27 E CB . 15150 1 331 . 1 1 27 27 GLU CG C 13 36.382 0.1 . 1 . . . . 27 E CG . 15150 1 332 . 1 1 27 27 GLU N N 15 114.814 0.1 . 1 . . . . 27 E N . 15150 1 333 . 1 1 28 28 MET H H 1 9.102 0.01 . 1 . . . . 28 M HN . 15150 1 334 . 1 1 28 28 MET HA H 1 5.246 0.01 . 1 . . . . 28 M HA . 15150 1 335 . 1 1 28 28 MET HB2 H 1 2.147 0.01 . 1 . . . . 28 M HB2 . 15150 1 336 . 1 1 28 28 MET HB3 H 1 1.797 0.01 . 1 . . . . 28 M HB3 . 15150 1 337 . 1 1 28 28 MET HG2 H 1 2.176 0.01 . 1 . . . . 28 M HG2 . 15150 1 338 . 1 1 28 28 MET HG3 H 1 2.068 0.01 . 1 . . . . 28 M HG3 . 15150 1 339 . 1 1 28 28 MET HE1 H 1 1.886 0.01 . 1 . . . . 28 M HE . 15150 1 340 . 1 1 28 28 MET HE2 H 1 1.886 0.01 . 1 . . . . 28 M HE . 15150 1 341 . 1 1 28 28 MET HE3 H 1 1.886 0.01 . 1 . . . . 28 M HE . 15150 1 342 . 1 1 28 28 MET C C 13 176.271 0.1 . 1 . . . . 28 M CO . 15150 1 343 . 1 1 28 28 MET CA C 13 54.002 0.1 . 1 . . . . 28 M CA . 15150 1 344 . 1 1 28 28 MET CB C 13 36.08 0.1 . 1 . . . . 28 M CB . 15150 1 345 . 1 1 28 28 MET CG C 13 31.828 0.1 . 1 . . . . 28 M CG . 15150 1 346 . 1 1 28 28 MET N N 15 123.453 0.1 . 1 . . . . 28 M N . 15150 1 347 . 1 1 29 29 THR H H 1 8.421 0.01 . 1 . . . . 29 T HN . 15150 1 348 . 1 1 29 29 THR HA H 1 4.432 0.01 . 1 . . . . 29 T HA . 15150 1 349 . 1 1 29 29 THR HG21 H 1 1.144 0.01 . 1 . . . . 29 T HG2# . 15150 1 350 . 1 1 29 29 THR HG22 H 1 1.144 0.01 . 1 . . . . 29 T HG2# . 15150 1 351 . 1 1 29 29 THR HG23 H 1 1.144 0.01 . 1 . . . . 29 T HG2# . 15150 1 352 . 1 1 29 29 THR C C 13 177.932 0.1 . 1 . . . . 29 T CO . 15150 1 353 . 1 1 29 29 THR CA C 13 61.155 0.1 . 1 . . . . 29 T CA . 15150 1 354 . 1 1 29 29 THR CB C 13 69.331 0.1 . 1 . . . . 29 T CB . 15150 1 355 . 1 1 29 29 THR N N 15 114.001 0.1 . 1 . . . . 29 T N . 15150 1 356 . 1 1 30 30 ARG HA H 1 4.182 0.01 . 1 . . . . 30 R HA . 15150 1 357 . 1 1 30 30 ARG HB2 H 1 1.963 0.01 . 1 . . . . 30 R HB# . 15150 1 358 . 1 1 30 30 ARG HB3 H 1 1.963 0.01 . 1 . . . . 30 R HB# . 15150 1 359 . 1 1 30 30 ARG HG2 H 1 1.806 0.01 . 1 . . . . 30 R HG2 . 15150 1 360 . 1 1 30 30 ARG HG3 H 1 1.751 0.01 . 1 . . . . 30 R HG3 . 15150 1 361 . 1 1 30 30 ARG HD2 H 1 3.267 0.01 . 1 . . . . 30 R HD# . 15150 1 362 . 1 1 30 30 ARG HD3 H 1 3.267 0.01 . 1 . . . . 30 R HD# . 15150 1 363 . 1 1 30 30 ARG C C 13 177.451 0.1 . 1 . . . . 30 R CO . 15150 1 364 . 1 1 30 30 ARG CA C 13 59.104 0.1 . 1 . . . . 30 R CA . 15150 1 365 . 1 1 30 30 ARG CB C 13 30.349 0.1 . 1 . . . . 30 R CB . 15150 1 366 . 1 1 30 30 ARG CD C 13 43.043 0.1 . 1 . . . . 30 R CD . 15150 1 367 . 1 1 31 31 THR H H 1 7.444 0.01 . 1 . . . . 31 T HN . 15150 1 368 . 1 1 31 31 THR HA H 1 4.406 0.01 . 1 . . . . 31 T HA . 15150 1 369 . 1 1 31 31 THR HB H 1 4.524 0.01 . 1 . . . . 31 T HB . 15150 1 370 . 1 1 31 31 THR HG21 H 1 1.177 0.01 . 1 . . . . 31 T HG2# . 15150 1 371 . 1 1 31 31 THR HG22 H 1 1.177 0.01 . 1 . . . . 31 T HG2# . 15150 1 372 . 1 1 31 31 THR HG23 H 1 1.177 0.01 . 1 . . . . 31 T HG2# . 15150 1 373 . 1 1 31 31 THR C C 13 175.088 0.1 . 1 . . . . 31 T CO . 15150 1 374 . 1 1 31 31 THR CA C 13 60.999 0.1 . 1 . . . . 31 T CA . 15150 1 375 . 1 1 31 31 THR CB C 13 69.203 0.1 . 1 . . . . 31 T CB . 15150 1 376 . 1 1 31 31 THR CG2 C 13 21.694 0.1 . 1 . . . . 31 T CG2 . 15150 1 377 . 1 1 31 31 THR N N 15 103.044 0.1 . 1 . . . . 31 T N . 15150 1 378 . 1 1 32 32 GLY H H 1 7.169 0.01 . 1 . . . . 32 G HN . 15150 1 379 . 1 1 32 32 GLY HA2 H 1 4.194 0.01 . 1 . . . . 32 G HA2 . 15150 1 380 . 1 1 32 32 GLY HA3 H 1 3.721 0.01 . 1 . . . . 32 G HA3 . 15150 1 381 . 1 1 32 32 GLY C C 13 173.69 0.1 . 1 . . . . 32 G CO . 15150 1 382 . 1 1 32 32 GLY CA C 13 45.157 0.1 . 1 . . . . 32 G CA . 15150 1 383 . 1 1 32 32 GLY N N 15 108.826 0.1 . 1 . . . . 32 G N . 15150 1 384 . 1 1 33 33 LEU H H 1 8.478 0.01 . 1 . . . . 33 L HN . 15150 1 385 . 1 1 33 33 LEU HA H 1 4.069 0.01 . 1 . . . . 33 L HA . 15150 1 386 . 1 1 33 33 LEU HB2 H 1 1.774 0.01 . 1 . . . . 33 L HB2 . 15150 1 387 . 1 1 33 33 LEU HB3 H 1 1.641 0.01 . 1 . . . . 33 L HB3 . 15150 1 388 . 1 1 33 33 LEU HD11 H 1 0.926 0.01 . 1 . . . . 33 L HD1# . 15150 1 389 . 1 1 33 33 LEU HD12 H 1 0.926 0.01 . 1 . . . . 33 L HD1# . 15150 1 390 . 1 1 33 33 LEU HD13 H 1 0.926 0.01 . 1 . . . . 33 L HD1# . 15150 1 391 . 1 1 33 33 LEU HD21 H 1 0.726 0.01 . 1 . . . . 33 L HD2# . 15150 1 392 . 1 1 33 33 LEU HD22 H 1 0.726 0.01 . 1 . . . . 33 L HD2# . 15150 1 393 . 1 1 33 33 LEU HD23 H 1 0.726 0.01 . 1 . . . . 33 L HD2# . 15150 1 394 . 1 1 33 33 LEU C C 13 179.281 0.1 . 1 . . . . 33 L CO . 15150 1 395 . 1 1 33 33 LEU CA C 13 57.253 0.1 . 1 . . . . 33 L CA . 15150 1 396 . 1 1 33 33 LEU CB C 13 43.788 0.1 . 1 . . . . 33 L CB . 15150 1 397 . 1 1 33 33 LEU CD1 C 13 25.993 0.1 . 1 . . . . 33 L CD1 . 15150 1 398 . 1 1 33 33 LEU CD2 C 13 23.267 0.1 . 1 . . . . 33 L CD2 . 15150 1 399 . 1 1 33 33 LEU N N 15 117.278 0.1 . 1 . . . . 33 L N . 15150 1 400 . 1 1 34 34 ALA H H 1 8.662 0.01 . 1 . . . . 34 A HN . 15150 1 401 . 1 1 34 34 ALA HA H 1 4.094 0.01 . 1 . . . . 34 A HA . 15150 1 402 . 1 1 34 34 ALA HB1 H 1 1.372 0.01 . 1 . . . . 34 A HB# . 15150 1 403 . 1 1 34 34 ALA HB2 H 1 1.372 0.01 . 1 . . . . 34 A HB# . 15150 1 404 . 1 1 34 34 ALA HB3 H 1 1.372 0.01 . 1 . . . . 34 A HB# . 15150 1 405 . 1 1 34 34 ALA C C 13 180.377 0.1 . 1 . . . . 34 A CO . 15150 1 406 . 1 1 34 34 ALA CA C 13 55.724 0.1 . 1 . . . . 34 A CA . 15150 1 407 . 1 1 34 34 ALA CB C 13 18.064 0.1 . 1 . . . . 34 A CB . 15150 1 408 . 1 1 34 34 ALA N N 15 121.214 0.1 . 1 . . . . 34 A N . 15150 1 409 . 1 1 35 35 THR H H 1 8.615 0.01 . 1 . . . . 35 T HN . 15150 1 410 . 1 1 35 35 THR HA H 1 3.923 0.01 . 1 . . . . 35 T HA . 15150 1 411 . 1 1 35 35 THR HB H 1 4.086 0.01 . 1 . . . . 35 T HB . 15150 1 412 . 1 1 35 35 THR HG21 H 1 1.233 0.01 . 1 . . . . 35 T HG2# . 15150 1 413 . 1 1 35 35 THR HG22 H 1 1.233 0.01 . 1 . . . . 35 T HG2# . 15150 1 414 . 1 1 35 35 THR HG23 H 1 1.233 0.01 . 1 . . . . 35 T HG2# . 15150 1 415 . 1 1 35 35 THR C C 13 175.775 0.1 . 1 . . . . 35 T CO . 15150 1 416 . 1 1 35 35 THR CA C 13 65.683 0.1 . 1 . . . . 35 T CA . 15150 1 417 . 1 1 35 35 THR CB C 13 68.61 0.1 . 1 . . . . 35 T CB . 15150 1 418 . 1 1 35 35 THR CG2 C 13 22.717 0.1 . 1 . . . . 35 T CG2 . 15150 1 419 . 1 1 35 35 THR N N 15 118.689 0.1 . 1 . . . . 35 T N . 15150 1 420 . 1 1 36 36 LYS H H 1 7.501 0.01 . 1 . . . . 36 K HN . 15150 1 421 . 1 1 36 36 LYS HA H 1 3.932 0.01 . 1 . . . . 36 K HA . 15150 1 422 . 1 1 36 36 LYS HB2 H 1 1.894 0.01 . 1 . . . . 36 K HB2 . 15150 1 423 . 1 1 36 36 LYS HB3 H 1 1.836 0.01 . 1 . . . . 36 K HB3 . 15150 1 424 . 1 1 36 36 LYS HG2 H 1 1.54 0.01 . 1 . . . . 36 K HG2 . 15150 1 425 . 1 1 36 36 LYS HG3 H 1 1.429 0.01 . 1 . . . . 36 K HG3 . 15150 1 426 . 1 1 36 36 LYS HD2 H 1 1.647 0.01 . 1 . . . . 36 K HD2 . 15150 1 427 . 1 1 36 36 LYS HD3 H 1 1.565 0.01 . 1 . . . . 36 K HD3 . 15150 1 428 . 1 1 36 36 LYS HE2 H 1 2.961 0.01 . 1 . . . . 36 K HE# . 15150 1 429 . 1 1 36 36 LYS HE3 H 1 2.961 0.01 . 1 . . . . 36 K HE# . 15150 1 430 . 1 1 36 36 LYS C C 13 177.863 0.1 . 1 . . . . 36 K CO . 15150 1 431 . 1 1 36 36 LYS CA C 13 59.208 0.1 . 1 . . . . 36 K CA . 15150 1 432 . 1 1 36 36 LYS CB C 13 32.496 0.1 . 1 . . . . 36 K CB . 15150 1 433 . 1 1 36 36 LYS CG C 13 25.089 0.1 . 1 . . . . 36 K CG . 15150 1 434 . 1 1 36 36 LYS CD C 13 29.187 0.1 . 1 . . . . 36 K CD . 15150 1 435 . 1 1 36 36 LYS CE C 13 42.086 0.1 . 1 . . . . 36 K CE . 15150 1 436 . 1 1 36 36 LYS N N 15 121.236 0.1 . 1 . . . . 36 K N . 15150 1 437 . 1 1 37 37 ASP H H 1 8.001 0.01 . 1 . . . . 37 D HN . 15150 1 438 . 1 1 37 37 ASP HA H 1 4.369 0.01 . 1 . . . . 37 D HA . 15150 1 439 . 1 1 37 37 ASP HB2 H 1 2.737 0.01 . 1 . . . . 37 D HB2 . 15150 1 440 . 1 1 37 37 ASP HB3 H 1 2.603 0.01 . 1 . . . . 37 D HB3 . 15150 1 441 . 1 1 37 37 ASP C C 13 177.403 0.1 . 1 . . . . 37 D CO . 15150 1 442 . 1 1 37 37 ASP CA C 13 57.297 0.1 . 1 . . . . 37 D CA . 15150 1 443 . 1 1 37 37 ASP CB C 13 43.684 0.1 . 1 . . . . 37 D CB . 15150 1 444 . 1 1 37 37 ASP N N 15 118.079 0.1 . 1 . . . . 37 D N . 15150 1 445 . 1 1 38 38 GLY H H 1 7.392 0.01 . 1 . . . . 38 G HN . 15150 1 446 . 1 1 38 38 GLY HA2 H 1 4.094 0.01 . 1 . . . . 38 G HA2 . 15150 1 447 . 1 1 38 38 GLY HA3 H 1 3.903 0.01 . 1 . . . . 38 G HA3 . 15150 1 448 . 1 1 38 38 GLY C C 13 174.637 0.1 . 1 . . . . 38 G CO . 15150 1 449 . 1 1 38 38 GLY CA C 13 46.348 0.1 . 1 . . . . 38 G CA . 15150 1 450 . 1 1 38 38 GLY N N 15 103.293 0.1 . 1 . . . . 38 G N . 15150 1 451 . 1 1 39 39 ASN H H 1 8.327 0.01 . 1 . . . . 39 N HN . 15150 1 452 . 1 1 39 39 ASN HA H 1 4.662 0.01 . 1 . . . . 39 N HA . 15150 1 453 . 1 1 39 39 ASN HB2 H 1 2.83 0.01 . 1 . . . . 39 N HB2 . 15150 1 454 . 1 1 39 39 ASN HB3 H 1 2.393 0.01 . 1 . . . . 39 N HB3 . 15150 1 455 . 1 1 39 39 ASN HD21 H 1 8.468 0.01 . 1 . . . . 39 N HD21 . 15150 1 456 . 1 1 39 39 ASN HD22 H 1 6.913 0.01 . 1 . . . . 39 N HD22 . 15150 1 457 . 1 1 39 39 ASN C C 13 175.176 0.1 . 1 . . . . 39 N CO . 15150 1 458 . 1 1 39 39 ASN CA C 13 55.567 0.1 . 1 . . . . 39 N CA . 15150 1 459 . 1 1 39 39 ASN CB C 13 40.654 0.1 . 1 . . . . 39 N CB . 15150 1 460 . 1 1 39 39 ASN N N 15 117.417 0.1 . 1 . . . . 39 N N . 15150 1 461 . 1 1 39 39 ASN ND2 N 15 118.152 0.1 . 1 . . . . 39 N ND2 . 15150 1 462 . 1 1 40 40 LEU H H 1 8.592 0.01 . 1 . . . . 40 L HN . 15150 1 463 . 1 1 40 40 LEU HA H 1 4.173 0.01 . 1 . . . . 40 L HA . 15150 1 464 . 1 1 40 40 LEU HB2 H 1 1.57 0.01 . 1 . . . . 40 L HB2 . 15150 1 465 . 1 1 40 40 LEU HB3 H 1 1.357 0.01 . 1 . . . . 40 L HB3 . 15150 1 466 . 1 1 40 40 LEU HG H 1 1.703 0.01 . 1 . . . . 40 L HG . 15150 1 467 . 1 1 40 40 LEU HD11 H 1 0.851 0.01 . 1 . . . . 40 L HD1# . 15150 1 468 . 1 1 40 40 LEU HD12 H 1 0.851 0.01 . 1 . . . . 40 L HD1# . 15150 1 469 . 1 1 40 40 LEU HD13 H 1 0.851 0.01 . 1 . . . . 40 L HD1# . 15150 1 470 . 1 1 40 40 LEU HD21 H 1 0.758 0.01 . 1 . . . . 40 L HD2# . 15150 1 471 . 1 1 40 40 LEU HD22 H 1 0.758 0.01 . 1 . . . . 40 L HD2# . 15150 1 472 . 1 1 40 40 LEU HD23 H 1 0.758 0.01 . 1 . . . . 40 L HD2# . 15150 1 473 . 1 1 40 40 LEU C C 13 175.269 0.1 . 1 . . . . 40 L CO . 15150 1 474 . 1 1 40 40 LEU CA C 13 54.45 0.1 . 1 . . . . 40 L CA . 15150 1 475 . 1 1 40 40 LEU CB C 13 44.678 0.1 . 1 . . . . 40 L CB . 15150 1 476 . 1 1 40 40 LEU CG C 13 26.799 0.1 . 1 . . . . 40 L CG . 15150 1 477 . 1 1 40 40 LEU CD1 C 13 25.756 0.1 . 1 . . . . 40 L CD# . 15150 1 478 . 1 1 40 40 LEU CD2 C 13 25.756 0.1 . 1 . . . . 40 L CD# . 15150 1 479 . 1 1 40 40 LEU N N 15 120.445 0.1 . 1 . . . . 40 L N . 15150 1 480 . 1 1 41 41 HIS H H 1 8.995 0.01 . 1 . . . . 41 H HN . 15150 1 481 . 1 1 41 41 HIS HA H 1 4.845 0.01 . 1 . . . . 41 H HA . 15150 1 482 . 1 1 41 41 HIS HB2 H 1 3.121 0.01 . 1 . . . . 41 H HB2 . 15150 1 483 . 1 1 41 41 HIS HB3 H 1 3.075 0.01 . 1 . . . . 41 H HB3 . 15150 1 484 . 1 1 41 41 HIS HD2 H 1 7.034 0.01 . 1 . . . . 41 H HD# . 15150 1 485 . 1 1 41 41 HIS C C 13 174.699 0.1 . 1 . . . . 41 H CO . 15150 1 486 . 1 1 41 41 HIS CA C 13 52.971 0.1 . 1 . . . . 41 H CA . 15150 1 487 . 1 1 41 41 HIS CB C 13 31.95 0.1 . 1 . . . . 41 H CB . 15150 1 488 . 1 1 41 41 HIS N N 15 119.809 0.1 . 1 . . . . 41 H N . 15150 1 489 . 1 1 42 42 GLU H H 1 8.987 0.01 . 1 . . . . 42 E HN . 15150 1 490 . 1 1 42 42 GLU HA H 1 3.701 0.01 . 1 . . . . 42 E HA . 15150 1 491 . 1 1 42 42 GLU HB2 H 1 1.919 0.01 . 1 . . . . 42 E HB# . 15150 1 492 . 1 1 42 42 GLU HB3 H 1 1.919 0.01 . 1 . . . . 42 E HB# . 15150 1 493 . 1 1 42 42 GLU HG2 H 1 2.111 0.01 . 1 . . . . 42 E HG2 . 15150 1 494 . 1 1 42 42 GLU HG3 H 1 2.299 0.01 . 1 . . . . 42 E HG3 . 15150 1 495 . 1 1 42 42 GLU C C 13 177.495 0.1 . 1 . . . . 42 E CO . 15150 1 496 . 1 1 42 42 GLU CA C 13 59.129 0.1 . 1 . . . . 42 E CA . 15150 1 497 . 1 1 42 42 GLU CB C 13 28.654 0.1 . 1 . . . . 42 E CB . 15150 1 498 . 1 1 42 42 GLU CG C 13 37.746 0.1 . 1 . . . . 42 E CG . 15150 1 499 . 1 1 42 42 GLU N N 15 121.937 0.1 . 1 . . . . 42 E N . 15150 1 500 . 1 1 43 43 GLY H H 1 9.696 0.01 . 1 . . . . 43 G HN . 15150 1 501 . 1 1 43 43 GLY HA2 H 1 4.467 0.01 . 1 . . . . 43 G HA2 . 15150 1 502 . 1 1 43 43 GLY HA3 H 1 3.52 0.01 . 1 . . . . 43 G HA3 . 15150 1 503 . 1 1 43 43 GLY C C 13 174.049 0.1 . 1 . . . . 43 G CO . 15150 1 504 . 1 1 43 43 GLY CA C 13 45.034 0.1 . 1 . . . . 43 G CA . 15150 1 505 . 1 1 43 43 GLY N N 15 113.693 0.1 . 1 . . . . 43 G N . 15150 1 506 . 1 1 44 44 ASP H H 1 7.911 0.01 . 1 . . . . 44 D HN . 15150 1 507 . 1 1 44 44 ASP HA H 1 4.56 0.01 . 1 . . . . 44 D HA . 15150 1 508 . 1 1 44 44 ASP HB2 H 1 2.725 0.01 . 1 . . . . 44 D HB2 . 15150 1 509 . 1 1 44 44 ASP HB3 H 1 2.332 0.01 . 1 . . . . 44 D HB3 . 15150 1 510 . 1 1 44 44 ASP C C 13 175.853 0.1 . 1 . . . . 44 D CO . 15150 1 511 . 1 1 44 44 ASP CA C 13 55.865 0.1 . 1 . . . . 44 D CA . 15150 1 512 . 1 1 44 44 ASP CB C 13 41.097 0.1 . 1 . . . . 44 D CB . 15150 1 513 . 1 1 44 44 ASP N N 15 121.36 0.1 . 1 . . . . 44 D N . 15150 1 514 . 1 1 45 45 ILE H H 1 8.628 0.01 . 1 . . . . 45 I HN . 15150 1 515 . 1 1 45 45 ILE HA H 1 4.346 0.01 . 1 . . . . 45 I HA . 15150 1 516 . 1 1 45 45 ILE HB H 1 1.872 0.01 . 1 . . . . 45 I HB . 15150 1 517 . 1 1 45 45 ILE HG12 H 1 1.587 0.01 . 1 . . . . 45 I HG12 . 15150 1 518 . 1 1 45 45 ILE HG13 H 1 1.125 0.01 . 1 . . . . 45 I HG13 . 15150 1 519 . 1 1 45 45 ILE HG21 H 1 0.78 0.01 . 1 . . . . 45 I HG2# . 15150 1 520 . 1 1 45 45 ILE HG22 H 1 0.78 0.01 . 1 . . . . 45 I HG2# . 15150 1 521 . 1 1 45 45 ILE HG23 H 1 0.78 0.01 . 1 . . . . 45 I HG2# . 15150 1 522 . 1 1 45 45 ILE HD11 H 1 0.72 0.01 . 1 . . . . 45 I HD1# . 15150 1 523 . 1 1 45 45 ILE HD12 H 1 0.72 0.01 . 1 . . . . 45 I HD1# . 15150 1 524 . 1 1 45 45 ILE HD13 H 1 0.72 0.01 . 1 . . . . 45 I HD1# . 15150 1 525 . 1 1 45 45 ILE C C 13 176.138 0.1 . 1 . . . . 45 I CO . 15150 1 526 . 1 1 45 45 ILE CA C 13 60.454 0.1 . 1 . . . . 45 I CA . 15150 1 527 . 1 1 45 45 ILE CB C 13 38.522 0.1 . 1 . . . . 45 I CB . 15150 1 528 . 1 1 45 45 ILE CG1 C 13 28.228 0.1 . 1 . . . . 45 I CG1 . 15150 1 529 . 1 1 45 45 ILE CG2 C 13 17.592 0.1 . 1 . . . . 45 I CG2 . 15150 1 530 . 1 1 45 45 ILE CD1 C 13 12.382 0.1 . 1 . . . . 45 I CD1 . 15150 1 531 . 1 1 45 45 ILE N N 15 122.47 0.1 . 1 . . . . 45 I N . 15150 1 532 . 1 1 46 46 ILE H H 1 8.697 0.01 . 1 . . . . 46 I HN . 15150 1 533 . 1 1 46 46 ILE HA H 1 4.192 0.01 . 1 . . . . 46 I HA . 15150 1 534 . 1 1 46 46 ILE HB H 1 1.596 0.01 . 1 . . . . 46 I HB . 15150 1 535 . 1 1 46 46 ILE HG12 H 1 1.433 0.01 . 1 . . . . 46 I HG12 . 15150 1 536 . 1 1 46 46 ILE HG13 H 1 0.939 0.01 . 1 . . . . 46 I HG13 . 15150 1 537 . 1 1 46 46 ILE HG21 H 1 0.764 0.01 . 1 . . . . 46 I HG2# . 15150 1 538 . 1 1 46 46 ILE HG22 H 1 0.764 0.01 . 1 . . . . 46 I HG2# . 15150 1 539 . 1 1 46 46 ILE HG23 H 1 0.764 0.01 . 1 . . . . 46 I HG2# . 15150 1 540 . 1 1 46 46 ILE HD11 H 1 0.609 0.01 . 1 . . . . 46 I HD1# . 15150 1 541 . 1 1 46 46 ILE HD12 H 1 0.609 0.01 . 1 . . . . 46 I HD1# . 15150 1 542 . 1 1 46 46 ILE HD13 H 1 0.609 0.01 . 1 . . . . 46 I HD1# . 15150 1 543 . 1 1 46 46 ILE C C 13 174.827 0.1 . 1 . . . . 46 I CO . 15150 1 544 . 1 1 46 46 ILE CA C 13 60.139 0.1 . 1 . . . . 46 I CA . 15150 1 545 . 1 1 46 46 ILE CB C 13 38.06 0.1 . 1 . . . . 46 I CB . 15150 1 546 . 1 1 46 46 ILE CG1 C 13 27.548 0.1 . 1 . . . . 46 I CG1 . 15150 1 547 . 1 1 46 46 ILE CG2 C 13 19.331 0.1 . 1 . . . . 46 I CG2 . 15150 1 548 . 1 1 46 46 ILE CD1 C 13 13.377 0.1 . 1 . . . . 46 I CD1 . 15150 1 549 . 1 1 46 46 ILE N N 15 127.296 0.1 . 1 . . . . 46 I N . 15150 1 550 . 1 1 47 47 LEU H H 1 9.173 0.01 . 1 . . . . 47 L HN . 15150 1 551 . 1 1 47 47 LEU HA H 1 4.436 0.01 . 1 . . . . 47 L HA . 15150 1 552 . 1 1 47 47 LEU HB2 H 1 1.529 0.01 . 1 . . . . 47 L HB2 . 15150 1 553 . 1 1 47 47 LEU HB3 H 1 1.43 0.01 . 1 . . . . 47 L HB3 . 15150 1 554 . 1 1 47 47 LEU HG H 1 0.827 0.01 . 1 . . . . 47 L HG . 15150 1 555 . 1 1 47 47 LEU HD11 H 1 0.641 0.01 . 1 . . . . 47 L HD1# . 15150 1 556 . 1 1 47 47 LEU HD12 H 1 0.641 0.01 . 1 . . . . 47 L HD1# . 15150 1 557 . 1 1 47 47 LEU HD13 H 1 0.641 0.01 . 1 . . . . 47 L HD1# . 15150 1 558 . 1 1 47 47 LEU HD21 H 1 0.479 0.01 . 1 . . . . 47 L HD2# . 15150 1 559 . 1 1 47 47 LEU HD22 H 1 0.479 0.01 . 1 . . . . 47 L HD2# . 15150 1 560 . 1 1 47 47 LEU HD23 H 1 0.479 0.01 . 1 . . . . 47 L HD2# . 15150 1 561 . 1 1 47 47 LEU C C 13 178.432 0.1 . 1 . . . . 47 L CO . 15150 1 562 . 1 1 47 47 LEU CA C 13 55.793 0.1 . 1 . . . . 47 L CA . 15150 1 563 . 1 1 47 47 LEU CB C 13 44.093 0.1 . 1 . . . . 47 L CB . 15150 1 564 . 1 1 47 47 LEU CG C 13 27.048 0.1 . 1 . . . . 47 L CG . 15150 1 565 . 1 1 47 47 LEU CD1 C 13 25.472 0.1 . 1 . . . . 47 L CD1 . 15150 1 566 . 1 1 47 47 LEU CD2 C 13 23.141 0.1 . 1 . . . . 47 L CD2 . 15150 1 567 . 1 1 47 47 LEU N N 15 127.246 0.1 . 1 . . . . 47 L N . 15150 1 568 . 1 1 48 48 LYS H H 1 7.458 0.01 . 1 . . . . 48 K HN . 15150 1 569 . 1 1 48 48 LYS HA H 1 5.233 0.01 . 1 . . . . 48 K HA . 15150 1 570 . 1 1 48 48 LYS HB2 H 1 1.54 0.01 . 1 . . . . 48 K HB2 . 15150 1 571 . 1 1 48 48 LYS HB3 H 1 1.398 0.01 . 1 . . . . 48 K HB3 . 15150 1 572 . 1 1 48 48 LYS HG2 H 1 1.234 0.01 . 1 . . . . 48 K HG2 . 15150 1 573 . 1 1 48 48 LYS HG3 H 1 1.16 0.01 . 1 . . . . 48 K HG3 . 15150 1 574 . 1 1 48 48 LYS HD2 H 1 1.457 0.01 . 1 . . . . 48 K HD# . 15150 1 575 . 1 1 48 48 LYS HD3 H 1 1.457 0.01 . 1 . . . . 48 K HD# . 15150 1 576 . 1 1 48 48 LYS HE2 H 1 2.822 0.01 . 1 . . . . 48 K HE# . 15150 1 577 . 1 1 48 48 LYS HE3 H 1 2.822 0.01 . 1 . . . . 48 K HE# . 15150 1 578 . 1 1 48 48 LYS C C 13 175.107 0.1 . 1 . . . . 48 K CO . 15150 1 579 . 1 1 48 48 LYS CA C 13 55.466 0.1 . 1 . . . . 48 K CA . 15150 1 580 . 1 1 48 48 LYS CB C 13 39.165 0.1 . 1 . . . . 48 K CB . 15150 1 581 . 1 1 48 48 LYS CG C 13 26.029 0.1 . 1 . . . . 48 K CG . 15150 1 582 . 1 1 48 48 LYS CD C 13 30.297 0.1 . 1 . . . . 48 K CD . 15150 1 583 . 1 1 48 48 LYS CE C 13 42.316 0.1 . 1 . . . . 48 K CE . 15150 1 584 . 1 1 48 48 LYS N N 15 115.452 0.1 . 1 . . . . 48 K N . 15150 1 585 . 1 1 49 49 ILE H H 1 8.293 0.01 . 1 . . . . 49 I HN . 15150 1 586 . 1 1 49 49 ILE HA H 1 4.27 0.01 . 1 . . . . 49 I HA . 15150 1 587 . 1 1 49 49 ILE HB H 1 1.49 0.01 . 1 . . . . 49 I HB . 15150 1 588 . 1 1 49 49 ILE HG12 H 1 0.683 0.01 . 1 . . . . 49 I HG1# . 15150 1 589 . 1 1 49 49 ILE HG13 H 1 0.683 0.01 . 1 . . . . 49 I HG1# . 15150 1 590 . 1 1 49 49 ILE HG21 H 1 0.622 0.01 . 1 . . . . 49 I HG2# . 15150 1 591 . 1 1 49 49 ILE HG22 H 1 0.622 0.01 . 1 . . . . 49 I HG2# . 15150 1 592 . 1 1 49 49 ILE HG23 H 1 0.622 0.01 . 1 . . . . 49 I HG2# . 15150 1 593 . 1 1 49 49 ILE HD11 H 1 0.736 0.01 . 1 . . . . 49 I HD1# . 15150 1 594 . 1 1 49 49 ILE HD12 H 1 0.736 0.01 . 1 . . . . 49 I HD1# . 15150 1 595 . 1 1 49 49 ILE HD13 H 1 0.736 0.01 . 1 . . . . 49 I HD1# . 15150 1 596 . 1 1 49 49 ILE C C 13 175.015 0.1 . 1 . . . . 49 I CO . 15150 1 597 . 1 1 49 49 ILE CA C 13 60.869 0.1 . 1 . . . . 49 I CA . 15150 1 598 . 1 1 49 49 ILE CB C 13 40.172 0.1 . 1 . . . . 49 I CB . 15150 1 599 . 1 1 49 49 ILE CG1 C 13 27.309 0.1 . 1 . . . . 49 I CG1 . 15150 1 600 . 1 1 49 49 ILE CG2 C 13 17.856 0.1 . 1 . . . . 49 I CG2 . 15150 1 601 . 1 1 49 49 ILE CD1 C 13 13.509 0.1 . 1 . . . . 49 I CD1 . 15150 1 602 . 1 1 49 49 ILE N N 15 119.222 0.1 . 1 . . . . 49 I N . 15150 1 603 . 1 1 50 50 ASN H H 1 9.691 0.01 . 1 . . . . 50 N HN . 15150 1 604 . 1 1 50 50 ASN HA H 1 4.506 0.01 . 1 . . . . 50 N HA . 15150 1 605 . 1 1 50 50 ASN HB2 H 1 3.135 0.01 . 1 . . . . 50 N HB2 . 15150 1 606 . 1 1 50 50 ASN HB3 H 1 2.844 0.01 . 1 . . . . 50 N HB3 . 15150 1 607 . 1 1 50 50 ASN HD21 H 1 7.939 0.01 . 1 . . . . 50 N HD21 . 15150 1 608 . 1 1 50 50 ASN HD22 H 1 7.211 0.01 . 1 . . . . 50 N HD22 . 15150 1 609 . 1 1 50 50 ASN C C 13 175.63 0.1 . 1 . . . . 50 N CO . 15150 1 610 . 1 1 50 50 ASN CA C 13 54.244 0.1 . 1 . . . . 50 N CA . 15150 1 611 . 1 1 50 50 ASN CB C 13 36.775 0.1 . 1 . . . . 50 N CB . 15150 1 612 . 1 1 50 50 ASN N N 15 127.166 0.1 . 1 . . . . 50 N N . 15150 1 613 . 1 1 50 50 ASN ND2 N 15 112.558 0.1 . 1 . . . . 50 N ND2 . 15150 1 614 . 1 1 51 51 GLY H H 1 9.053 0.01 . 1 . . . . 51 G HN . 15150 1 615 . 1 1 51 51 GLY HA2 H 1 4.27 0.01 . 1 . . . . 51 G HA2 . 15150 1 616 . 1 1 51 51 GLY HA3 H 1 3.475 0.01 . 1 . . . . 51 G HA3 . 15150 1 617 . 1 1 51 51 GLY C C 13 173.923 0.1 . 1 . . . . 51 G CO . 15150 1 618 . 1 1 51 51 GLY CA C 13 45.488 0.1 . 1 . . . . 51 G CA . 15150 1 619 . 1 1 51 51 GLY N N 15 103.904 0.1 . 1 . . . . 51 G N . 15150 1 620 . 1 1 52 52 THR H H 1 8.171 0.01 . 1 . . . . 52 T HN . 15150 1 621 . 1 1 52 52 THR HA H 1 4.397 0.01 . 1 . . . . 52 T HA . 15150 1 622 . 1 1 52 52 THR HB H 1 4.153 0.01 . 1 . . . . 52 T HB . 15150 1 623 . 1 1 52 52 THR HG21 H 1 1.195 0.01 . 1 . . . . 52 T HG2# . 15150 1 624 . 1 1 52 52 THR HG22 H 1 1.195 0.01 . 1 . . . . 52 T HG2# . 15150 1 625 . 1 1 52 52 THR HG23 H 1 1.195 0.01 . 1 . . . . 52 T HG2# . 15150 1 626 . 1 1 52 52 THR C C 13 173.873 0.1 . 1 . . . . 52 T CO . 15150 1 627 . 1 1 52 52 THR CA C 13 62.723 0.1 . 1 . . . . 52 T CA . 15150 1 628 . 1 1 52 52 THR CB C 13 69.516 0.1 . 1 . . . . 52 T CB . 15150 1 629 . 1 1 52 52 THR CG2 C 13 22.29 0.1 . 1 . . . . 52 T CG2 . 15150 1 630 . 1 1 52 52 THR N N 15 120.171 0.1 . 1 . . . . 52 T N . 15150 1 631 . 1 1 53 53 VAL H H 1 8.631 0.01 . 1 . . . . 53 V HN . 15150 1 632 . 1 1 53 53 VAL HA H 1 4.353 0.01 . 1 . . . . 53 V HA . 15150 1 633 . 1 1 53 53 VAL HB H 1 2.235 0.01 . 1 . . . . 53 V HB . 15150 1 634 . 1 1 53 53 VAL HG11 H 1 1.238 0.01 . 1 . . . . 53 V HG1# . 15150 1 635 . 1 1 53 53 VAL HG12 H 1 1.238 0.01 . 1 . . . . 53 V HG1# . 15150 1 636 . 1 1 53 53 VAL HG13 H 1 1.238 0.01 . 1 . . . . 53 V HG1# . 15150 1 637 . 1 1 53 53 VAL HG21 H 1 1.154 0.01 . 1 . . . . 53 V HG2# . 15150 1 638 . 1 1 53 53 VAL HG22 H 1 1.154 0.01 . 1 . . . . 53 V HG2# . 15150 1 639 . 1 1 53 53 VAL HG23 H 1 1.154 0.01 . 1 . . . . 53 V HG2# . 15150 1 640 . 1 1 53 53 VAL C C 13 177.056 0.1 . 1 . . . . 53 V CO . 15150 1 641 . 1 1 53 53 VAL CA C 13 63.528 0.1 . 1 . . . . 53 V CA . 15150 1 642 . 1 1 53 53 VAL CB C 13 32.566 0.1 . 1 . . . . 53 V CB . 15150 1 643 . 1 1 53 53 VAL CG1 C 13 21.946 0.1 . 1 . . . . 53 V CG# . 15150 1 644 . 1 1 53 53 VAL CG2 C 13 21.946 0.1 . 1 . . . . 53 V CG# . 15150 1 645 . 1 1 53 53 VAL N N 15 127.512 0.1 . 1 . . . . 53 V N . 15150 1 646 . 1 1 54 54 THR H H 1 7.888 0.01 . 1 . . . . 54 T HN . 15150 1 647 . 1 1 54 54 THR HA H 1 4.392 0.01 . 1 . . . . 54 T HA . 15150 1 648 . 1 1 54 54 THR HB H 1 4.468 0.01 . 1 . . . . 54 T HB . 15150 1 649 . 1 1 54 54 THR HG21 H 1 1.042 0.01 . 1 . . . . 54 T HG2# . 15150 1 650 . 1 1 54 54 THR HG22 H 1 1.042 0.01 . 1 . . . . 54 T HG2# . 15150 1 651 . 1 1 54 54 THR HG23 H 1 1.042 0.01 . 1 . . . . 54 T HG2# . 15150 1 652 . 1 1 54 54 THR C C 13 175.883 0.1 . 1 . . . . 54 T CO . 15150 1 653 . 1 1 54 54 THR CA C 13 61.708 0.1 . 1 . . . . 54 T CA . 15150 1 654 . 1 1 54 54 THR CB C 13 68.721 0.1 . 1 . . . . 54 T CB . 15150 1 655 . 1 1 54 54 THR CG2 C 13 21.875 0.1 . 1 . . . . 54 T CG2 . 15150 1 656 . 1 1 54 54 THR N N 15 113.476 0.1 . 1 . . . . 54 T N . 15150 1 657 . 1 1 55 55 GLU H H 1 7.465 0.01 . 1 . . . . 55 E HN . 15150 1 658 . 1 1 55 55 GLU HA H 1 4.429 0.01 . 1 . . . . 55 E HA . 15150 1 659 . 1 1 55 55 GLU HB2 H 1 2.268 0.01 . 1 . . . . 55 E HB2 . 15150 1 660 . 1 1 55 55 GLU HB3 H 1 1.907 0.01 . 1 . . . . 55 E HB3 . 15150 1 661 . 1 1 55 55 GLU HG2 H 1 2.519 0.01 . 1 . . . . 55 E HG2 . 15150 1 662 . 1 1 55 55 GLU HG3 H 1 2.299 0.01 . 1 . . . . 55 E HG3 . 15150 1 663 . 1 1 55 55 GLU C C 13 177.183 0.1 . 1 . . . . 55 E CO . 15150 1 664 . 1 1 55 55 GLU CA C 13 59.052 0.1 . 1 . . . . 55 E CA . 15150 1 665 . 1 1 55 55 GLU CB C 13 29.668 0.1 . 1 . . . . 55 E CB . 15150 1 666 . 1 1 55 55 GLU CG C 13 36.314 0.1 . 1 . . . . 55 E CG . 15150 1 667 . 1 1 55 55 GLU N N 15 126.591 0.1 . 1 . . . . 55 E N . 15150 1 668 . 1 1 56 56 ASN H H 1 9.12 0.01 . 1 . . . . 56 N HN . 15150 1 669 . 1 1 56 56 ASN HA H 1 4.764 0.01 . 1 . . . . 56 N HA . 15150 1 670 . 1 1 56 56 ASN HB2 H 1 3.318 0.01 . 1 . . . . 56 N HB2 . 15150 1 671 . 1 1 56 56 ASN HB3 H 1 3.04 0.01 . 1 . . . . 56 N HB3 . 15150 1 672 . 1 1 56 56 ASN HD21 H 1 7.471 0.01 . 1 . . . . 56 N HD21 . 15150 1 673 . 1 1 56 56 ASN HD22 H 1 6.837 0.01 . 1 . . . . 56 N HD22 . 15150 1 674 . 1 1 56 56 ASN C C 13 173.65 0.1 . 1 . . . . 56 N CO . 15150 1 675 . 1 1 56 56 ASN CA C 13 54.881 0.1 . 1 . . . . 56 N CA . 15150 1 676 . 1 1 56 56 ASN CB C 13 36.361 0.1 . 1 . . . . 56 N CB . 15150 1 677 . 1 1 56 56 ASN N N 15 121.447 0.1 . 1 . . . . 56 N N . 15150 1 678 . 1 1 56 56 ASN ND2 N 15 110.659 0.1 . 1 . . . . 56 N ND2 . 15150 1 679 . 1 1 57 57 MET H H 1 8.029 0.01 . 1 . . . . 57 M HN . 15150 1 680 . 1 1 57 57 MET HA H 1 4.393 0.01 . 1 . . . . 57 M HA . 15150 1 681 . 1 1 57 57 MET HB2 H 1 2.032 0.01 . 1 . . . . 57 M HB# . 15150 1 682 . 1 1 57 57 MET HB3 H 1 2.032 0.01 . 1 . . . . 57 M HB# . 15150 1 683 . 1 1 57 57 MET HG2 H 1 2.923 0.01 . 1 . . . . 57 M HG2 . 15150 1 684 . 1 1 57 57 MET HG3 H 1 2.539 0.01 . 1 . . . . 57 M HG3 . 15150 1 685 . 1 1 57 57 MET C C 13 175.922 0.1 . 1 . . . . 57 M CO . 15150 1 686 . 1 1 57 57 MET CA C 13 55.823 0.1 . 1 . . . . 57 M CA . 15150 1 687 . 1 1 57 57 MET CB C 13 35.547 0.1 . 1 . . . . 57 M CB . 15150 1 688 . 1 1 57 57 MET CG C 13 32.542 0.1 . 1 . . . . 57 M CG . 15150 1 689 . 1 1 57 57 MET N N 15 122.694 0.1 . 1 . . . . 57 M N . 15150 1 690 . 1 1 58 58 SER H H 1 9.281 0.01 . 1 . . . . 58 S HN . 15150 1 691 . 1 1 58 58 SER HA H 1 4.42 0.01 . 1 . . . . 58 S HA . 15150 1 692 . 1 1 58 58 SER HB2 H 1 4.296 0.01 . 1 . . . . 58 S HB2 . 15150 1 693 . 1 1 58 58 SER HB3 H 1 4.102 0.01 . 1 . . . . 58 S HB3 . 15150 1 694 . 1 1 58 58 SER C C 13 175.269 0.1 . 1 . . . . 58 S CO . 15150 1 695 . 1 1 58 58 SER CA C 13 57.925 0.1 . 1 . . . . 58 S CA . 15150 1 696 . 1 1 58 58 SER CB C 13 64.525 0.1 . 1 . . . . 58 S CB . 15150 1 697 . 1 1 58 58 SER N N 15 122.017 0.1 . 1 . . . . 58 S N . 15150 1 698 . 1 1 59 59 LEU H H 1 8.83 0.01 . 1 . . . . 59 L HN . 15150 1 699 . 1 1 59 59 LEU HA H 1 3.938 0.01 . 1 . . . . 59 L HA . 15150 1 700 . 1 1 59 59 LEU HB2 H 1 1.709 0.01 . 1 . . . . 59 L HB2 . 15150 1 701 . 1 1 59 59 LEU HB3 H 1 1.45 0.01 . 1 . . . . 59 L HB3 . 15150 1 702 . 1 1 59 59 LEU HG H 1 1.425 0.01 . 1 . . . . 59 L HG . 15150 1 703 . 1 1 59 59 LEU HD11 H 1 0.817 0.01 . 1 . . . . 59 L HD1# . 15150 1 704 . 1 1 59 59 LEU HD12 H 1 0.817 0.01 . 1 . . . . 59 L HD1# . 15150 1 705 . 1 1 59 59 LEU HD13 H 1 0.817 0.01 . 1 . . . . 59 L HD1# . 15150 1 706 . 1 1 59 59 LEU HD21 H 1 0.757 0.01 . 1 . . . . 59 L HD2# . 15150 1 707 . 1 1 59 59 LEU HD22 H 1 0.757 0.01 . 1 . . . . 59 L HD2# . 15150 1 708 . 1 1 59 59 LEU HD23 H 1 0.757 0.01 . 1 . . . . 59 L HD2# . 15150 1 709 . 1 1 59 59 LEU C C 13 178.62 0.1 . 1 . . . . 59 L CO . 15150 1 710 . 1 1 59 59 LEU CA C 13 58.541 0.1 . 1 . . . . 59 L CA . 15150 1 711 . 1 1 59 59 LEU CB C 13 42.005 0.1 . 1 . . . . 59 L CB . 15150 1 712 . 1 1 59 59 LEU CG C 13 27.07 0.1 . 1 . . . . 59 L CG . 15150 1 713 . 1 1 59 59 LEU CD1 C 13 24.974 0.1 . 1 . . . . 59 L CD1 . 15150 1 714 . 1 1 59 59 LEU CD2 C 13 24.007 0.1 . 1 . . . . 59 L CD2 . 15150 1 715 . 1 1 59 59 LEU N N 15 123.627 0.1 . 1 . . . . 59 L N . 15150 1 716 . 1 1 60 60 THR H H 1 7.966 0.01 . 1 . . . . 60 T HN . 15150 1 717 . 1 1 60 60 THR HA H 1 3.841 0.01 . 1 . . . . 60 T HA . 15150 1 718 . 1 1 60 60 THR HB H 1 4.048 0.01 . 1 . . . . 60 T HB . 15150 1 719 . 1 1 60 60 THR HG21 H 1 1.245 0.01 . 1 . . . . 60 T HG2# . 15150 1 720 . 1 1 60 60 THR HG22 H 1 1.245 0.01 . 1 . . . . 60 T HG2# . 15150 1 721 . 1 1 60 60 THR HG23 H 1 1.245 0.01 . 1 . . . . 60 T HG2# . 15150 1 722 . 1 1 60 60 THR C C 13 176.412 0.1 . 1 . . . . 60 T CO . 15150 1 723 . 1 1 60 60 THR CA C 13 66.261 0.1 . 1 . . . . 60 T CA . 15150 1 724 . 1 1 60 60 THR CB C 13 68.679 0.1 . 1 . . . . 60 T CB . 15150 1 725 . 1 1 60 60 THR CG2 C 13 22.204 0.1 . 1 . . . . 60 T CG2 . 15150 1 726 . 1 1 60 60 THR N N 15 112.073 0.1 . 1 . . . . 60 T N . 15150 1 727 . 1 1 61 61 ASP H H 1 7.553 0.01 . 1 . . . . 61 D HN . 15150 1 728 . 1 1 61 61 ASP HA H 1 4.445 0.01 . 1 . . . . 61 D HA . 15150 1 729 . 1 1 61 61 ASP HB2 H 1 2.825 0.01 . 1 . . . . 61 D HB2 . 15150 1 730 . 1 1 61 61 ASP HB3 H 1 2.646 0.01 . 1 . . . . 61 D HB3 . 15150 1 731 . 1 1 61 61 ASP C C 13 178.631 0.1 . 1 . . . . 61 D CO . 15150 1 732 . 1 1 61 61 ASP CA C 13 57.589 0.1 . 1 . . . . 61 D CA . 15150 1 733 . 1 1 61 61 ASP CB C 13 39.707 0.1 . 1 . . . . 61 D CB . 15150 1 734 . 1 1 61 61 ASP N N 15 122.864 0.1 . 1 . . . . 61 D N . 15150 1 735 . 1 1 62 62 ALA H H 1 8.33 0.01 . 1 . . . . 62 A HN . 15150 1 736 . 1 1 62 62 ALA HA H 1 4.056 0.01 . 1 . . . . 62 A HA . 15150 1 737 . 1 1 62 62 ALA HB1 H 1 1.282 0.01 . 1 . . . . 62 A HB# . 15150 1 738 . 1 1 62 62 ALA HB2 H 1 1.282 0.01 . 1 . . . . 62 A HB# . 15150 1 739 . 1 1 62 62 ALA HB3 H 1 1.282 0.01 . 1 . . . . 62 A HB# . 15150 1 740 . 1 1 62 62 ALA C C 13 179.222 0.1 . 1 . . . . 62 A CO . 15150 1 741 . 1 1 62 62 ALA CA C 13 55.611 0.1 . 1 . . . . 62 A CA . 15150 1 742 . 1 1 62 62 ALA CB C 13 18.364 0.1 . 1 . . . . 62 A CB . 15150 1 743 . 1 1 62 62 ALA N N 15 124.614 0.1 . 1 . . . . 62 A N . 15150 1 744 . 1 1 63 63 ARG H H 1 8.359 0.01 . 1 . . . . 63 R HN . 15150 1 745 . 1 1 63 63 ARG HA H 1 3.843 0.01 . 1 . . . . 63 R HA . 15150 1 746 . 1 1 63 63 ARG HB2 H 1 1.981 0.01 . 1 . . . . 63 R HB2 . 15150 1 747 . 1 1 63 63 ARG HB3 H 1 1.911 0.01 . 1 . . . . 63 R HB3 . 15150 1 748 . 1 1 63 63 ARG HG2 H 1 1.89 0.01 . 1 . . . . 63 R HG2 . 15150 1 749 . 1 1 63 63 ARG HG3 H 1 1.717 0.01 . 1 . . . . 63 R HG3 . 15150 1 750 . 1 1 63 63 ARG HD2 H 1 3.203 0.01 . 1 . . . . 63 R HD2 . 15150 1 751 . 1 1 63 63 ARG HD3 H 1 3.137 0.01 . 1 . . . . 63 R HD3 . 15150 1 752 . 1 1 63 63 ARG C C 13 179.754 0.1 . 1 . . . . 63 R CO . 15150 1 753 . 1 1 63 63 ARG CA C 13 60.103 0.1 . 1 . . . . 63 R CA . 15150 1 754 . 1 1 63 63 ARG CB C 13 30.078 0.1 . 1 . . . . 63 R CB . 15150 1 755 . 1 1 63 63 ARG CG C 13 28.49 0.1 . 1 . . . . 63 R CG . 15150 1 756 . 1 1 63 63 ARG CD C 13 44.047 0.1 . 1 . . . . 63 R CD . 15150 1 757 . 1 1 63 63 ARG N N 15 116.005 0.1 . 1 . . . . 63 R N . 15150 1 758 . 1 1 64 64 LYS H H 1 7.708 0.01 . 1 . . . . 64 K HN . 15150 1 759 . 1 1 64 64 LYS HA H 1 4.095 0.01 . 1 . . . . 64 K HA . 15150 1 760 . 1 1 64 64 LYS HB2 H 1 2.03 0.01 . 1 . . . . 64 K HB2 . 15150 1 761 . 1 1 64 64 LYS HB3 H 1 1.928 0.01 . 1 . . . . 64 K HB3 . 15150 1 762 . 1 1 64 64 LYS HG2 H 1 1.707 0.01 . 1 . . . . 64 K HG2 . 15150 1 763 . 1 1 64 64 LYS HG3 H 1 1.521 0.01 . 1 . . . . 64 K HG3 . 15150 1 764 . 1 1 64 64 LYS HD2 H 1 1.716 0.01 . 1 . . . . 64 K HD# . 15150 1 765 . 1 1 64 64 LYS HD3 H 1 1.716 0.01 . 1 . . . . 64 K HD# . 15150 1 766 . 1 1 64 64 LYS HE2 H 1 2.968 0.01 . 1 . . . . 64 K HE# . 15150 1 767 . 1 1 64 64 LYS HE3 H 1 2.968 0.01 . 1 . . . . 64 K HE# . 15150 1 768 . 1 1 64 64 LYS C C 13 178.712 0.1 . 1 . . . . 64 K CO . 15150 1 769 . 1 1 64 64 LYS CA C 13 59.387 0.1 . 1 . . . . 64 K CA . 15150 1 770 . 1 1 64 64 LYS CB C 13 32.1 0.1 . 1 . . . . 64 K CB . 15150 1 771 . 1 1 64 64 LYS CG C 13 25.285 0.1 . 1 . . . . 64 K CG . 15150 1 772 . 1 1 64 64 LYS CD C 13 28.994 0.1 . 1 . . . . 64 K CD . 15150 1 773 . 1 1 64 64 LYS CE C 13 42.046 0.1 . 1 . . . . 64 K CE . 15150 1 774 . 1 1 64 64 LYS N N 15 119.798 0.1 . 1 . . . . 64 K N . 15150 1 775 . 1 1 65 65 LEU H H 1 7.596 0.01 . 1 . . . . 65 L HN . 15150 1 776 . 1 1 65 65 LEU HA H 1 4.024 0.01 . 1 . . . . 65 L HA . 15150 1 777 . 1 1 65 65 LEU HB2 H 1 2.072 0.01 . 1 . . . . 65 L HB2 . 15150 1 778 . 1 1 65 65 LEU HB3 H 1 1.357 0.01 . 1 . . . . 65 L HB3 . 15150 1 779 . 1 1 65 65 LEU HG H 1 0.909 0.01 . 1 . . . . 65 L HG . 15150 1 780 . 1 1 65 65 LEU HD11 H 1 0.871 0.01 . 1 . . . . 65 L HD# . 15150 1 781 . 1 1 65 65 LEU HD12 H 1 0.871 0.01 . 1 . . . . 65 L HD# . 15150 1 782 . 1 1 65 65 LEU HD13 H 1 0.871 0.01 . 1 . . . . 65 L HD# . 15150 1 783 . 1 1 65 65 LEU HD21 H 1 0.871 0.01 . 1 . . . . 65 L HD# . 15150 1 784 . 1 1 65 65 LEU HD22 H 1 0.871 0.01 . 1 . . . . 65 L HD# . 15150 1 785 . 1 1 65 65 LEU HD23 H 1 0.871 0.01 . 1 . . . . 65 L HD# . 15150 1 786 . 1 1 65 65 LEU C C 13 180.224 0.1 . 1 . . . . 65 L CO . 15150 1 787 . 1 1 65 65 LEU CA C 13 57.941 0.1 . 1 . . . . 65 L CA . 15150 1 788 . 1 1 65 65 LEU CB C 13 41.902 0.1 . 1 . . . . 65 L CB . 15150 1 789 . 1 1 65 65 LEU CG C 13 26.006 0.1 . 1 . . . . 65 L CG . 15150 1 790 . 1 1 65 65 LEU CD1 C 13 23.063 0.1 . 1 . . . . 65 L CD# . 15150 1 791 . 1 1 65 65 LEU CD2 C 13 23.063 0.1 . 1 . . . . 65 L CD# . 15150 1 792 . 1 1 65 65 LEU N N 15 118.273 0.1 . 1 . . . . 65 L N . 15150 1 793 . 1 1 66 66 ILE H H 1 7.424 0.01 . 1 . . . . 66 I HN . 15150 1 794 . 1 1 66 66 ILE HA H 1 3.571 0.01 . 1 . . . . 66 I HA . 15150 1 795 . 1 1 66 66 ILE HB H 1 2.161 0.01 . 1 . . . . 66 I HB . 15150 1 796 . 1 1 66 66 ILE HG12 H 1 1.044 0.01 . 1 . . . . 66 I HG1# . 15150 1 797 . 1 1 66 66 ILE HG13 H 1 1.044 0.01 . 1 . . . . 66 I HG1# . 15150 1 798 . 1 1 66 66 ILE HG21 H 1 0.762 0.01 . 1 . . . . 66 I HG2# . 15150 1 799 . 1 1 66 66 ILE HG22 H 1 0.762 0.01 . 1 . . . . 66 I HG2# . 15150 1 800 . 1 1 66 66 ILE HG23 H 1 0.762 0.01 . 1 . . . . 66 I HG2# . 15150 1 801 . 1 1 66 66 ILE HD11 H 1 0.637 0.01 . 1 . . . . 66 I HD1# . 15150 1 802 . 1 1 66 66 ILE HD12 H 1 0.637 0.01 . 1 . . . . 66 I HD1# . 15150 1 803 . 1 1 66 66 ILE HD13 H 1 0.637 0.01 . 1 . . . . 66 I HD1# . 15150 1 804 . 1 1 66 66 ILE C C 13 179.415 0.1 . 1 . . . . 66 I CO . 15150 1 805 . 1 1 66 66 ILE CA C 13 65.193 0.1 . 1 . . . . 66 I CA . 15150 1 806 . 1 1 66 66 ILE CB C 13 37.231 0.1 . 1 . . . . 66 I CB . 15150 1 807 . 1 1 66 66 ILE CG1 C 13 28.414 0.1 . 1 . . . . 66 I CG1 . 15150 1 808 . 1 1 66 66 ILE N N 15 117.84 0.1 . 1 . . . . 66 I N . 15150 1 809 . 1 1 67 67 GLU H H 1 8.212 0.01 . 1 . . . . 67 E HN . 15150 1 810 . 1 1 67 67 GLU HA H 1 4.164 0.01 . 1 . . . . 67 E HA . 15150 1 811 . 1 1 67 67 GLU HB2 H 1 2.207 0.01 . 1 . . . . 67 E HB# . 15150 1 812 . 1 1 67 67 GLU HB3 H 1 2.207 0.01 . 1 . . . . 67 E HB# . 15150 1 813 . 1 1 67 67 GLU HG2 H 1 2.331 0.01 . 1 . . . . 67 E HG2 . 15150 1 814 . 1 1 67 67 GLU HG3 H 1 2.472 0.01 . 1 . . . . 67 E HG3 . 15150 1 815 . 1 1 67 67 GLU C C 13 178.405 0.1 . 1 . . . . 67 E CO . 15150 1 816 . 1 1 67 67 GLU CA C 13 59.37 0.1 . 1 . . . . 67 E CA . 15150 1 817 . 1 1 67 67 GLU CB C 13 29.84 0.1 . 1 . . . . 67 E CB . 15150 1 818 . 1 1 67 67 GLU CG C 13 36.299 0.1 . 1 . . . . 67 E CG . 15150 1 819 . 1 1 67 67 GLU N N 15 121.548 0.1 . 1 . . . . 67 E N . 15150 1 820 . 1 1 68 68 LYS H H 1 7.806 0.01 . 1 . . . . 68 K HN . 15150 1 821 . 1 1 68 68 LYS HA H 1 4.423 0.01 . 1 . . . . 68 K HA . 15150 1 822 . 1 1 68 68 LYS HB2 H 1 2.06 0.01 . 1 . . . . 68 K HB2 . 15150 1 823 . 1 1 68 68 LYS HB3 H 1 1.891 0.01 . 1 . . . . 68 K HB3 . 15150 1 824 . 1 1 68 68 LYS HG2 H 1 1.62 0.01 . 1 . . . . 68 K HG# . 15150 1 825 . 1 1 68 68 LYS HG3 H 1 1.62 0.01 . 1 . . . . 68 K HG# . 15150 1 826 . 1 1 68 68 LYS HD2 H 1 1.653 0.01 . 1 . . . . 68 K HD# . 15150 1 827 . 1 1 68 68 LYS HD3 H 1 1.653 0.01 . 1 . . . . 68 K HD# . 15150 1 828 . 1 1 68 68 LYS HE2 H 1 2.983 0.01 . 1 . . . . 68 K HE# . 15150 1 829 . 1 1 68 68 LYS HE3 H 1 2.983 0.01 . 1 . . . . 68 K HE# . 15150 1 830 . 1 1 68 68 LYS C C 13 176.827 0.1 . 1 . . . . 68 K CO . 15150 1 831 . 1 1 68 68 LYS CA C 13 56.476 0.1 . 1 . . . . 68 K CA . 15150 1 832 . 1 1 68 68 LYS CB C 13 32.226 0.1 . 1 . . . . 68 K CB . 15150 1 833 . 1 1 68 68 LYS CG C 13 24.906 0.1 . 1 . . . . 68 K CG . 15150 1 834 . 1 1 68 68 LYS CD C 13 29.044 0.1 . 1 . . . . 68 K CD . 15150 1 835 . 1 1 68 68 LYS CE C 13 42.142 0.1 . 1 . . . . 68 K CE . 15150 1 836 . 1 1 68 68 LYS N N 15 116.057 0.1 . 1 . . . . 68 K N . 15150 1 837 . 1 1 69 69 SER H H 1 7.479 0.01 . 1 . . . . 69 S HN . 15150 1 838 . 1 1 69 69 SER HA H 1 4.313 0.01 . 1 . . . . 69 S HA . 15150 1 839 . 1 1 69 69 SER HB2 H 1 4.3 0.01 . 1 . . . . 69 S HB2 . 15150 1 840 . 1 1 69 69 SER HB3 H 1 4.153 0.01 . 1 . . . . 69 S HB3 . 15150 1 841 . 1 1 69 69 SER C C 13 174.621 0.1 . 1 . . . . 69 S CO . 15150 1 842 . 1 1 69 69 SER CA C 13 59.842 0.1 . 1 . . . . 69 S CA . 15150 1 843 . 1 1 69 69 SER CB C 13 63.406 0.1 . 1 . . . . 69 S CB . 15150 1 844 . 1 1 69 69 SER N N 15 115.361 0.1 . 1 . . . . 69 S N . 15150 1 845 . 1 1 70 70 ARG H H 1 8.608 0.01 . 1 . . . . 70 R HN . 15150 1 846 . 1 1 70 70 ARG HA H 1 5.245 0.01 . 1 . . . . 70 R HA . 15150 1 847 . 1 1 70 70 ARG N N 15 122.717 0.1 . 1 . . . . 70 R N . 15150 1 848 . 1 1 71 71 GLY HA2 H 1 4.13 0.01 . 1 . . . . 71 G HA2 . 15150 1 849 . 1 1 71 71 GLY HA3 H 1 3.718 0.01 . 1 . . . . 71 G HA3 . 15150 1 850 . 1 1 71 71 GLY C C 13 173.047 0.1 . 1 . . . . 71 G CO . 15150 1 851 . 1 1 71 71 GLY CA C 13 46.399 0.1 . 1 . . . . 71 G CA . 15150 1 852 . 1 1 72 72 LYS H H 1 7.576 0.01 . 1 . . . . 72 K HN . 15150 1 853 . 1 1 72 72 LYS HA H 1 5.078 0.01 . 1 . . . . 72 K HA . 15150 1 854 . 1 1 72 72 LYS HB2 H 1 1.824 0.01 . 1 . . . . 72 K HB2 . 15150 1 855 . 1 1 72 72 LYS HB3 H 1 1.711 0.01 . 1 . . . . 72 K HB3 . 15150 1 856 . 1 1 72 72 LYS HG2 H 1 1.371 0.01 . 1 . . . . 72 K HG2 . 15150 1 857 . 1 1 72 72 LYS HG3 H 1 1.292 0.01 . 1 . . . . 72 K HG3 . 15150 1 858 . 1 1 72 72 LYS HD2 H 1 2.193 0.01 . 1 . . . . 72 K HD2 . 15150 1 859 . 1 1 72 72 LYS HD3 H 1 1.873 0.01 . 1 . . . . 72 K HD3 . 15150 1 860 . 1 1 72 72 LYS HE2 H 1 2.933 0.01 . 1 . . . . 72 K HE# . 15150 1 861 . 1 1 72 72 LYS HE3 H 1 2.933 0.01 . 1 . . . . 72 K HE# . 15150 1 862 . 1 1 72 72 LYS C C 13 173.78 0.1 . 1 . . . . 72 K CO . 15150 1 863 . 1 1 72 72 LYS CA C 13 55.851 0.1 . 1 . . . . 72 K CA . 15150 1 864 . 1 1 72 72 LYS CB C 13 35.114 0.1 . 1 . . . . 72 K CB . 15150 1 865 . 1 1 72 72 LYS CG C 13 24.887 0.1 . 1 . . . . 72 K CG . 15150 1 866 . 1 1 72 72 LYS CD C 13 29.967 0.1 . 1 . . . . 72 K CD . 15150 1 867 . 1 1 72 72 LYS CE C 13 42.189 0.1 . 1 . . . . 72 K CE . 15150 1 868 . 1 1 72 72 LYS N N 15 120.721 0.1 . 1 . . . . 72 K N . 15150 1 869 . 1 1 73 73 LEU H H 1 8.964 0.01 . 1 . . . . 73 L HN . 15150 1 870 . 1 1 73 73 LEU HA H 1 4.708 0.01 . 1 . . . . 73 L HA . 15150 1 871 . 1 1 73 73 LEU HB2 H 1 1.392 0.01 . 1 . . . . 73 L HB2 . 15150 1 872 . 1 1 73 73 LEU HB3 H 1 0.91 0.01 . 1 . . . . 73 L HB3 . 15150 1 873 . 1 1 73 73 LEU HG H 1 0.678 0.01 . 1 . . . . 73 L HG . 15150 1 874 . 1 1 73 73 LEU HD11 H 1 0.635 0.01 . 1 . . . . 73 L HD1# . 15150 1 875 . 1 1 73 73 LEU HD12 H 1 0.635 0.01 . 1 . . . . 73 L HD1# . 15150 1 876 . 1 1 73 73 LEU HD13 H 1 0.635 0.01 . 1 . . . . 73 L HD1# . 15150 1 877 . 1 1 73 73 LEU HD21 H 1 0.176 0.01 . 1 . . . . 73 L HD2# . 15150 1 878 . 1 1 73 73 LEU HD22 H 1 0.176 0.01 . 1 . . . . 73 L HD2# . 15150 1 879 . 1 1 73 73 LEU HD23 H 1 0.176 0.01 . 1 . . . . 73 L HD2# . 15150 1 880 . 1 1 73 73 LEU C C 13 173.616 0.1 . 1 . . . . 73 L CO . 15150 1 881 . 1 1 73 73 LEU CA C 13 53.625 0.1 . 1 . . . . 73 L CA . 15150 1 882 . 1 1 73 73 LEU CB C 13 45.085 0.1 . 1 . . . . 73 L CB . 15150 1 883 . 1 1 73 73 LEU CG C 13 27.011 0.1 . 1 . . . . 73 L CG . 15150 1 884 . 1 1 73 73 LEU CD1 C 13 25.639 0.1 . 1 . . . . 73 L CD1 . 15150 1 885 . 1 1 73 73 LEU CD2 C 13 24.94 0.1 . 1 . . . . 73 L CD2 . 15150 1 886 . 1 1 73 73 LEU N N 15 126.101 0.1 . 1 . . . . 73 L N . 15150 1 887 . 1 1 74 74 GLN H H 1 8.868 0.01 . 1 . . . . 74 Q HN . 15150 1 888 . 1 1 74 74 GLN HA H 1 5.091 0.01 . 1 . . . . 74 Q HA . 15150 1 889 . 1 1 74 74 GLN HB2 H 1 2.164 0.01 . 1 . . . . 74 Q HB2 . 15150 1 890 . 1 1 74 74 GLN HB3 H 1 1.864 0.01 . 1 . . . . 74 Q HB3 . 15150 1 891 . 1 1 74 74 GLN HG2 H 1 2.187 0.01 . 1 . . . . 74 Q HG2 . 15150 1 892 . 1 1 74 74 GLN HG3 H 1 2.117 0.01 . 1 . . . . 74 Q HG3 . 15150 1 893 . 1 1 74 74 GLN HE21 H 1 7.176 0.01 . 1 . . . . 74 Q HE21 . 15150 1 894 . 1 1 74 74 GLN HE22 H 1 6.769 0.01 . 1 . . . . 74 Q HE22 . 15150 1 895 . 1 1 74 74 GLN C C 13 175.324 0.1 . 1 . . . . 74 Q CO . 15150 1 896 . 1 1 74 74 GLN CA C 13 54.342 0.1 . 1 . . . . 74 Q CA . 15150 1 897 . 1 1 74 74 GLN CB C 13 30.273 0.1 . 1 . . . . 74 Q CB . 15150 1 898 . 1 1 74 74 GLN CG C 13 34.47 0.1 . 1 . . . . 74 Q CG . 15150 1 899 . 1 1 74 74 GLN N N 15 126.661 0.1 . 1 . . . . 74 Q N . 15150 1 900 . 1 1 74 74 GLN NE2 N 15 111.239 0.1 . 1 . . . . 74 Q NE2 . 15150 1 901 . 1 1 75 75 LEU H H 1 9.41 0.01 . 1 . . . . 75 L HN . 15150 1 902 . 1 1 75 75 LEU HA H 1 5.237 0.01 . 1 . . . . 75 L HA . 15150 1 903 . 1 1 75 75 LEU HB2 H 1 1.691 0.01 . 1 . . . . 75 L HB2 . 15150 1 904 . 1 1 75 75 LEU HB3 H 1 1.218 0.01 . 1 . . . . 75 L HB3 . 15150 1 905 . 1 1 75 75 LEU HG H 1 0.633 0.01 . 1 . . . . 75 L HG . 15150 1 906 . 1 1 75 75 LEU HD11 H 1 0.757 0.01 . 1 . . . . 75 L HD1# . 15150 1 907 . 1 1 75 75 LEU HD12 H 1 0.757 0.01 . 1 . . . . 75 L HD1# . 15150 1 908 . 1 1 75 75 LEU HD13 H 1 0.757 0.01 . 1 . . . . 75 L HD1# . 15150 1 909 . 1 1 75 75 LEU HD21 H 1 0.568 0.01 . 1 . . . . 75 L HD2# . 15150 1 910 . 1 1 75 75 LEU HD22 H 1 0.568 0.01 . 1 . . . . 75 L HD2# . 15150 1 911 . 1 1 75 75 LEU HD23 H 1 0.568 0.01 . 1 . . . . 75 L HD2# . 15150 1 912 . 1 1 75 75 LEU C C 13 176.385 0.1 . 1 . . . . 75 L CO . 15150 1 913 . 1 1 75 75 LEU CA C 13 53.222 0.1 . 1 . . . . 75 L CA . 15150 1 914 . 1 1 75 75 LEU CB C 13 45.61 0.1 . 1 . . . . 75 L CB . 15150 1 915 . 1 1 75 75 LEU CD1 C 13 26.237 0.1 . 1 . . . . 75 L CD1 . 15150 1 916 . 1 1 75 75 LEU CD2 C 13 24.729 0.1 . 1 . . . . 75 L CD2 . 15150 1 917 . 1 1 75 75 LEU N N 15 127.232 0.1 . 1 . . . . 75 L N . 15150 1 918 . 1 1 76 76 VAL H H 1 7.947 0.01 . 1 . . . . 76 V HN . 15150 1 919 . 1 1 76 76 VAL HA H 1 4.825 0.01 . 1 . . . . 76 V HA . 15150 1 920 . 1 1 76 76 VAL HB H 1 1.74 0.01 . 1 . . . . 76 V HB . 15150 1 921 . 1 1 76 76 VAL HG11 H 1 0.927 0.01 . 1 . . . . 76 V HG# . 15150 1 922 . 1 1 76 76 VAL HG12 H 1 0.927 0.01 . 1 . . . . 76 V HG# . 15150 1 923 . 1 1 76 76 VAL HG13 H 1 0.927 0.01 . 1 . . . . 76 V HG# . 15150 1 924 . 1 1 76 76 VAL HG21 H 1 0.927 0.01 . 1 . . . . 76 V HG# . 15150 1 925 . 1 1 76 76 VAL HG22 H 1 0.927 0.01 . 1 . . . . 76 V HG# . 15150 1 926 . 1 1 76 76 VAL HG23 H 1 0.927 0.01 . 1 . . . . 76 V HG# . 15150 1 927 . 1 1 76 76 VAL C C 13 175.657 0.1 . 1 . . . . 76 V CO . 15150 1 928 . 1 1 76 76 VAL CA C 13 62.6 0.1 . 1 . . . . 76 V CA . 15150 1 929 . 1 1 76 76 VAL CB C 13 33.327 0.1 . 1 . . . . 76 V CB . 15150 1 930 . 1 1 76 76 VAL CG1 C 13 21.744 0.1 . 1 . . . . 76 V CG# . 15150 1 931 . 1 1 76 76 VAL CG2 C 13 21.744 0.1 . 1 . . . . 76 V CG# . 15150 1 932 . 1 1 76 76 VAL N N 15 122.342 0.1 . 1 . . . . 76 V N . 15150 1 933 . 1 1 77 77 VAL H H 1 9.213 0.01 . 1 . . . . 77 V HN . 15150 1 934 . 1 1 77 77 VAL HA H 1 5.223 0.01 . 1 . . . . 77 V HA . 15150 1 935 . 1 1 77 77 VAL HB H 1 1.999 0.01 . 1 . . . . 77 V HB . 15150 1 936 . 1 1 77 77 VAL HG11 H 1 0.783 0.01 . 1 . . . . 77 V HG1# . 15150 1 937 . 1 1 77 77 VAL HG12 H 1 0.783 0.01 . 1 . . . . 77 V HG1# . 15150 1 938 . 1 1 77 77 VAL HG13 H 1 0.783 0.01 . 1 . . . . 77 V HG1# . 15150 1 939 . 1 1 77 77 VAL HG21 H 1 0.718 0.01 . 1 . . . . 77 V HG2# . 15150 1 940 . 1 1 77 77 VAL HG22 H 1 0.718 0.01 . 1 . . . . 77 V HG2# . 15150 1 941 . 1 1 77 77 VAL HG23 H 1 0.718 0.01 . 1 . . . . 77 V HG2# . 15150 1 942 . 1 1 77 77 VAL C C 13 174.188 0.1 . 1 . . . . 77 V CO . 15150 1 943 . 1 1 77 77 VAL CA C 13 59.768 0.1 . 1 . . . . 77 V CA . 15150 1 944 . 1 1 77 77 VAL CB C 13 35.264 0.1 . 1 . . . . 77 V CB . 15150 1 945 . 1 1 77 77 VAL CG1 C 13 21.504 0.1 . 1 . . . . 77 V CG1 . 15150 1 946 . 1 1 77 77 VAL CG2 C 13 19.997 0.1 . 1 . . . . 77 V CG2 . 15150 1 947 . 1 1 77 77 VAL N N 15 124.553 0.1 . 1 . . . . 77 V N . 15150 1 948 . 1 1 78 78 LEU H H 1 8.812 0.01 . 1 . . . . 78 L HN . 15150 1 949 . 1 1 78 78 LEU HA H 1 4.468 0.01 . 1 . . . . 78 L HA . 15150 1 950 . 1 1 78 78 LEU HB2 H 1 1.738 0.01 . 1 . . . . 78 L HB2 . 15150 1 951 . 1 1 78 78 LEU HB3 H 1 1.316 0.01 . 1 . . . . 78 L HB3 . 15150 1 952 . 1 1 78 78 LEU HG H 1 1.599 0.01 . 1 . . . . 78 L HG . 15150 1 953 . 1 1 78 78 LEU HD11 H 1 0.893 0.01 . 1 . . . . 78 L HD1# . 15150 1 954 . 1 1 78 78 LEU HD12 H 1 0.893 0.01 . 1 . . . . 78 L HD1# . 15150 1 955 . 1 1 78 78 LEU HD13 H 1 0.893 0.01 . 1 . . . . 78 L HD1# . 15150 1 956 . 1 1 78 78 LEU HD21 H 1 0.787 0.01 . 1 . . . . 78 L HD2# . 15150 1 957 . 1 1 78 78 LEU HD22 H 1 0.787 0.01 . 1 . . . . 78 L HD2# . 15150 1 958 . 1 1 78 78 LEU HD23 H 1 0.787 0.01 . 1 . . . . 78 L HD2# . 15150 1 959 . 1 1 78 78 LEU C C 13 174.923 0.1 . 1 . . . . 78 L CO . 15150 1 960 . 1 1 78 78 LEU CA C 13 54.54 0.1 . 1 . . . . 78 L CA . 15150 1 961 . 1 1 78 78 LEU CB C 13 44.127 0.1 . 1 . . . . 78 L CB . 15150 1 962 . 1 1 78 78 LEU CG C 13 27.093 0.1 . 1 . . . . 78 L CG . 15150 1 963 . 1 1 78 78 LEU CD1 C 13 24.624 0.1 . 1 . . . . 78 L CD# . 15150 1 964 . 1 1 78 78 LEU CD2 C 13 24.624 0.1 . 1 . . . . 78 L CD# . 15150 1 965 . 1 1 78 78 LEU N N 15 124.615 0.1 . 1 . . . . 78 L N . 15150 1 966 . 1 1 79 79 ARG H H 1 8.189 0.01 . 1 . . . . 79 R HN . 15150 1 967 . 1 1 79 79 ARG HA H 1 4.473 0.01 . 1 . . . . 79 R HA . 15150 1 968 . 1 1 79 79 ARG HB2 H 1 1.62 0.01 . 1 . . . . 79 R HB# . 15150 1 969 . 1 1 79 79 ARG HB3 H 1 1.62 0.01 . 1 . . . . 79 R HB# . 15150 1 970 . 1 1 79 79 ARG HG2 H 1 1.594 0.01 . 1 . . . . 79 R HG# . 15150 1 971 . 1 1 79 79 ARG HG3 H 1 1.594 0.01 . 1 . . . . 79 R HG# . 15150 1 972 . 1 1 79 79 ARG HD2 H 1 3.196 0.01 . 1 . . . . 79 R HD# . 15150 1 973 . 1 1 79 79 ARG HD3 H 1 3.196 0.01 . 1 . . . . 79 R HD# . 15150 1 974 . 1 1 79 79 ARG C C 13 174.938 0.1 . 1 . . . . 79 R CO . 15150 1 975 . 1 1 79 79 ARG CA C 13 55.234 0.1 . 1 . . . . 79 R CA . 15150 1 976 . 1 1 79 79 ARG CB C 13 32.197 0.1 . 1 . . . . 79 R CB . 15150 1 977 . 1 1 79 79 ARG CG C 13 27.11 0.1 . 1 . . . . 79 R CG . 15150 1 978 . 1 1 79 79 ARG CD C 13 42.939 0.1 . 1 . . . . 79 R CD . 15150 1 979 . 1 1 79 79 ARG N N 15 125.075 0.1 . 1 . . . . 79 R N . 15150 1 980 . 1 1 80 80 ASP H H 1 8.421 0.01 . 1 . . . . 80 D HN . 15150 1 981 . 1 1 80 80 ASP HA H 1 4.632 0.01 . 1 . . . . 80 D HA . 15150 1 982 . 1 1 80 80 ASP HB2 H 1 2.671 0.01 . 1 . . . . 80 D HB2 . 15150 1 983 . 1 1 80 80 ASP HB3 H 1 2.595 0.01 . 1 . . . . 80 D HB3 . 15150 1 984 . 1 1 80 80 ASP C C 13 175.621 0.1 . 1 . . . . 80 D CO . 15150 1 985 . 1 1 80 80 ASP CA C 13 54.4 0.1 . 1 . . . . 80 D CA . 15150 1 986 . 1 1 80 80 ASP CB C 13 41.912 0.1 . 1 . . . . 80 D CB . 15150 1 987 . 1 1 80 80 ASP N N 15 122.998 0.1 . 1 . . . . 80 D N . 15150 1 988 . 1 1 81 81 SER H H 1 8.33 0.01 . 1 . . . . 81 S HN . 15150 1 989 . 1 1 81 81 SER HA H 1 4.343 0.01 . 1 . . . . 81 S HA . 15150 1 990 . 1 1 81 81 SER HB2 H 1 3.875 0.01 . 1 . . . . 81 S HB2 . 15150 1 991 . 1 1 81 81 SER HB3 H 1 3.778 0.01 . 1 . . . . 81 S HB3 . 15150 1 992 . 1 1 81 81 SER C C 13 174.81 0.1 . 1 . . . . 81 S CO . 15150 1 993 . 1 1 81 81 SER CA C 13 58.536 0.1 . 1 . . . . 81 S CA . 15150 1 994 . 1 1 81 81 SER CB C 13 63.826 0.1 . 1 . . . . 81 S CB . 15150 1 995 . 1 1 81 81 SER N N 15 116.36 0.1 . 1 . . . . 81 S N . 15150 1 996 . 1 1 82 82 LEU H H 1 8.274 0.01 . 1 . . . . 82 L HN . 15150 1 997 . 1 1 82 82 LEU HA H 1 4.224 0.01 . 1 . . . . 82 L HA . 15150 1 998 . 1 1 82 82 LEU HB2 H 1 1.595 0.01 . 1 . . . . 82 L HB2 . 15150 1 999 . 1 1 82 82 LEU HB3 H 1 1.514 0.01 . 1 . . . . 82 L HB3 . 15150 1 1000 . 1 1 82 82 LEU HG H 1 1.539 0.01 . 1 . . . . 82 L HG . 15150 1 1001 . 1 1 82 82 LEU HD11 H 1 0.815 0.01 . 1 . . . . 82 L HD1# . 15150 1 1002 . 1 1 82 82 LEU HD12 H 1 0.815 0.01 . 1 . . . . 82 L HD1# . 15150 1 1003 . 1 1 82 82 LEU HD13 H 1 0.815 0.01 . 1 . . . . 82 L HD1# . 15150 1 1004 . 1 1 82 82 LEU HD21 H 1 0.756 0.01 . 1 . . . . 82 L HD2# . 15150 1 1005 . 1 1 82 82 LEU HD22 H 1 0.756 0.01 . 1 . . . . 82 L HD2# . 15150 1 1006 . 1 1 82 82 LEU HD23 H 1 0.756 0.01 . 1 . . . . 82 L HD2# . 15150 1 1007 . 1 1 82 82 LEU C C 13 177.528 0.1 . 1 . . . . 82 L CO . 15150 1 1008 . 1 1 82 82 LEU CA C 13 55.71 0.1 . 1 . . . . 82 L CA . 15150 1 1009 . 1 1 82 82 LEU CB C 13 42.078 0.1 . 1 . . . . 82 L CB . 15150 1 1010 . 1 1 82 82 LEU CG C 13 27.128 0.1 . 1 . . . . 82 L CG . 15150 1 1011 . 1 1 82 82 LEU CD1 C 13 24.999 0.1 . 1 . . . . 82 L CD1 . 15150 1 1012 . 1 1 82 82 LEU CD2 C 13 23.614 0.1 . 1 . . . . 82 L CD2 . 15150 1 1013 . 1 1 82 82 LEU N N 15 123.33 0.1 . 1 . . . . 82 L N . 15150 1 1014 . 1 1 83 83 GLU H H 1 8.144 0.01 . 1 . . . . 83 E HN . 15150 1 1015 . 1 1 83 83 GLU HA H 1 4.114 0.01 . 1 . . . . 83 E HA . 15150 1 1016 . 1 1 83 83 GLU HB2 H 1 1.865 0.01 . 1 . . . . 83 E HB# . 15150 1 1017 . 1 1 83 83 GLU HB3 H 1 1.865 0.01 . 1 . . . . 83 E HB# . 15150 1 1018 . 1 1 83 83 GLU HG2 H 1 2.172 0.01 . 1 . . . . 83 E HG2 . 15150 1 1019 . 1 1 83 83 GLU HG3 H 1 2.132 0.01 . 1 . . . . 83 E HG3 . 15150 1 1020 . 1 1 83 83 GLU C C 13 176.408 0.1 . 1 . . . . 83 E CO . 15150 1 1021 . 1 1 83 83 GLU CA C 13 57.056 0.1 . 1 . . . . 83 E CA . 15150 1 1022 . 1 1 83 83 GLU CB C 13 30.002 0.1 . 1 . . . . 83 E CB . 15150 1 1023 . 1 1 83 83 GLU CG C 13 36.213 0.1 . 1 . . . . 83 E CG . 15150 1 1024 . 1 1 83 83 GLU N N 15 119.891 0.1 . 1 . . . . 83 E N . 15150 1 stop_ save_