data_17828 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17828 _Entry.Title ; Ubiquitin-like domain from HOIL-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-03 _Entry.Accession_date 2011-08-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'HOIL-1 UBL' _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 Steven Beasley . A. . 17828 2 Gary Shaw . S. . 17828 3 Steven Beasley . A. . 17828 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17828 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'E3 ligase' . 17828 hoil-1 . 17828 HOIP . 17828 ubiquitin . 17828 'ubiquitin-like domain' . 17828 UBLD . 17828 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17828 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 391 17828 '15N chemical shifts' 90 17828 '1H chemical shifts' 633 17828 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 . . 2012-08-20 2011-08-03 update BMRB 'update entry citation' 17828 1 . . 2012-04-30 2011-08-03 original author 'original release' 17828 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17828 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22517668 _Citation.Full_citation . _Citation.Title 'Solution structure of the E3 ligase HOIL-1 Ubl domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 21 _Citation.Journal_issue 7 _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 1085 _Citation.Page_last 1092 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Steven Beasley . A. . 17828 1 2 Susan Safadi . S. . 17828 1 3 Kathryn Barber . R. . 17828 1 4 Gary Shaw . S. . 17828 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17828 _Assembly.ID 1 _Assembly.Name HOIL-1_Unl _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HOIL-1_Ubl 1 $HOIL-1_Ubl A . yes native no no . . . 17828 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HOIL-1_Ubl _Entity.Sf_category entity _Entity.Sf_framecode HOIL-1_Ubl _Entity.Entry_ID 17828 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HOIL-1_Ubl _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MPTQDIRLWVSVEDAQMHTV TIWLTVRPDMTVASLKDMVF LDYGFPPVLQQWVIGQRLAR DQETLHSHGVRQNGDSAYLY LLSARNTSLN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '51P-139N (Uniprot annotation)' _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10353.854 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17959 . HOIL-1L . . . . . 98.89 129 100.00 100.00 1.45e-57 . . . . 17828 1 2 no PDB 2LGY . "Ubiquitin-Like Domain From Hoil-1" . . . . . 100.00 90 100.00 100.00 1.56e-58 . . . . 17828 1 3 no PDB 4DBG . "Crystal Structure Of Hoil-1l-Ubl Complexed With A Hoip-Uba Derivative" . . . . . 96.67 105 100.00 100.00 3.32e-56 . . . . 17828 1 4 no DBJ BAC75409 . "ubiquitin ligase [Homo sapiens]" . . . . . 93.33 468 100.00 100.00 3.34e-53 . . . . 17828 1 5 no DBJ BAG59927 . "unnamed protein product [Homo sapiens]" . . . . . 98.89 272 100.00 100.00 7.13e-57 . . . . 17828 1 6 no DBJ BAG64417 . "unnamed protein product [Homo sapiens]" . . . . . 98.89 259 100.00 100.00 4.60e-57 . . . . 17828 1 7 no GB AAD00162 . "HBV associated factor [Homo sapiens]" . . . . . 93.33 468 100.00 100.00 2.88e-53 . . . . 17828 1 8 no GB AAH15219 . "RanBP-type and C3HC4-type zinc finger containing 1 [Homo sapiens]" . . . . . 98.89 500 100.00 100.00 6.36e-57 . . . . 17828 1 9 no GB AIC59659 . "RBCK1, partial [synthetic construct]" . . . . . 93.33 230 100.00 100.00 4.09e-53 . . . . 17828 1 10 no GB EAX10673 . "hCG2019817, isoform CRA_a [Homo sapiens]" . . . . . 93.33 468 100.00 100.00 2.88e-53 . . . . 17828 1 11 no GB EAX10675 . "hCG2019817, isoform CRA_c [Homo sapiens]" . . . . . 98.89 510 100.00 100.00 6.05e-57 . . . . 17828 1 12 no REF NP_001253226 . "ranBP-type and C3HC4-type zinc finger-containing protein 1 [Macaca mulatta]" . . . . . 98.89 510 100.00 100.00 6.58e-57 . . . . 17828 1 13 no REF NP_006453 . "ranBP-type and C3HC4-type zinc finger-containing protein 1 isoform 1 [Homo sapiens]" . . . . . 93.33 468 100.00 100.00 2.88e-53 . . . . 17828 1 14 no REF NP_112506 . "ranBP-type and C3HC4-type zinc finger-containing protein 1 isoform 2 [Homo sapiens]" . . . . . 98.89 510 100.00 100.00 6.05e-57 . . . . 17828 1 15 no REF XP_001152050 . "PREDICTED: ranBP-type and C3HC4-type zinc finger-containing protein 1 isoform X2 [Pan troglodytes]" . . . . . 98.89 510 100.00 100.00 6.05e-57 . . . . 17828 1 16 no REF XP_002747461 . "PREDICTED: ranBP-type and C3HC4-type zinc finger-containing protein 1 isoform X1 [Callithrix jacchus]" . . . . . 98.89 510 97.75 98.88 7.99e-56 . . . . 17828 1 17 no SP Q9BYM8 . "RecName: Full=RanBP-type and C3HC4-type zinc finger-containing protein 1; AltName: Full=HBV-associated factor 4; AltName: Full=" . . . . . 98.89 510 100.00 100.00 6.05e-57 . . . . 17828 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 . 17828 1 2 . PRO . 17828 1 3 . THR . 17828 1 4 . GLN . 17828 1 5 . ASP . 17828 1 6 . ILE . 17828 1 7 . ARG . 17828 1 8 . LEU . 17828 1 9 . TRP . 17828 1 10 . VAL . 17828 1 11 . SER . 17828 1 12 . VAL . 17828 1 13 . GLU . 17828 1 14 . ASP . 17828 1 15 . ALA . 17828 1 16 . GLN . 17828 1 17 . MET . 17828 1 18 . HIS . 17828 1 19 . THR . 17828 1 20 . VAL . 17828 1 21 . THR . 17828 1 22 . ILE . 17828 1 23 . TRP . 17828 1 24 . LEU . 17828 1 25 . THR . 17828 1 26 . VAL . 17828 1 27 . ARG . 17828 1 28 . PRO . 17828 1 29 . ASP . 17828 1 30 . MET . 17828 1 31 . THR . 17828 1 32 . VAL . 17828 1 33 . ALA . 17828 1 34 . SER . 17828 1 35 . LEU . 17828 1 36 . LYS . 17828 1 37 . ASP . 17828 1 38 . MET . 17828 1 39 . VAL . 17828 1 40 . PHE . 17828 1 41 . LEU . 17828 1 42 . ASP . 17828 1 43 . TYR . 17828 1 44 . GLY . 17828 1 45 . PHE . 17828 1 46 . PRO . 17828 1 47 . PRO . 17828 1 48 . VAL . 17828 1 49 . LEU . 17828 1 50 . GLN . 17828 1 51 . GLN . 17828 1 52 . TRP . 17828 1 53 . VAL . 17828 1 54 . ILE . 17828 1 55 . GLY . 17828 1 56 . GLN . 17828 1 57 . ARG . 17828 1 58 . LEU . 17828 1 59 . ALA . 17828 1 60 . ARG . 17828 1 61 . ASP . 17828 1 62 . GLN . 17828 1 63 . GLU . 17828 1 64 . THR . 17828 1 65 . LEU . 17828 1 66 . HIS . 17828 1 67 . SER . 17828 1 68 . HIS . 17828 1 69 . GLY . 17828 1 70 . VAL . 17828 1 71 . ARG . 17828 1 72 . GLN . 17828 1 73 . ASN . 17828 1 74 . GLY . 17828 1 75 . ASP . 17828 1 76 . SER . 17828 1 77 . ALA . 17828 1 78 . TYR . 17828 1 79 . LEU . 17828 1 80 . TYR . 17828 1 81 . LEU . 17828 1 82 . LEU . 17828 1 83 . SER . 17828 1 84 . ALA . 17828 1 85 . ARG . 17828 1 86 . ASN . 17828 1 87 . THR . 17828 1 88 . SER . 17828 1 89 . LEU . 17828 1 90 . ASN . 17828 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 17828 1 . PRO 2 2 17828 1 . THR 3 3 17828 1 . GLN 4 4 17828 1 . ASP 5 5 17828 1 . ILE 6 6 17828 1 . ARG 7 7 17828 1 . LEU 8 8 17828 1 . TRP 9 9 17828 1 . VAL 10 10 17828 1 . SER 11 11 17828 1 . VAL 12 12 17828 1 . GLU 13 13 17828 1 . ASP 14 14 17828 1 . ALA 15 15 17828 1 . GLN 16 16 17828 1 . MET 17 17 17828 1 . HIS 18 18 17828 1 . THR 19 19 17828 1 . VAL 20 20 17828 1 . THR 21 21 17828 1 . ILE 22 22 17828 1 . TRP 23 23 17828 1 . LEU 24 24 17828 1 . THR 25 25 17828 1 . VAL 26 26 17828 1 . ARG 27 27 17828 1 . PRO 28 28 17828 1 . ASP 29 29 17828 1 . MET 30 30 17828 1 . THR 31 31 17828 1 . VAL 32 32 17828 1 . ALA 33 33 17828 1 . SER 34 34 17828 1 . LEU 35 35 17828 1 . LYS 36 36 17828 1 . ASP 37 37 17828 1 . MET 38 38 17828 1 . VAL 39 39 17828 1 . PHE 40 40 17828 1 . LEU 41 41 17828 1 . ASP 42 42 17828 1 . TYR 43 43 17828 1 . GLY 44 44 17828 1 . PHE 45 45 17828 1 . PRO 46 46 17828 1 . PRO 47 47 17828 1 . VAL 48 48 17828 1 . LEU 49 49 17828 1 . GLN 50 50 17828 1 . GLN 51 51 17828 1 . TRP 52 52 17828 1 . VAL 53 53 17828 1 . ILE 54 54 17828 1 . GLY 55 55 17828 1 . GLN 56 56 17828 1 . ARG 57 57 17828 1 . LEU 58 58 17828 1 . ALA 59 59 17828 1 . ARG 60 60 17828 1 . ASP 61 61 17828 1 . GLN 62 62 17828 1 . GLU 63 63 17828 1 . THR 64 64 17828 1 . LEU 65 65 17828 1 . HIS 66 66 17828 1 . SER 67 67 17828 1 . HIS 68 68 17828 1 . GLY 69 69 17828 1 . VAL 70 70 17828 1 . ARG 71 71 17828 1 . GLN 72 72 17828 1 . ASN 73 73 17828 1 . GLY 74 74 17828 1 . ASP 75 75 17828 1 . SER 76 76 17828 1 . ALA 77 77 17828 1 . TYR 78 78 17828 1 . LEU 79 79 17828 1 . TYR 80 80 17828 1 . LEU 81 81 17828 1 . LEU 82 82 17828 1 . SER 83 83 17828 1 . ALA 84 84 17828 1 . ARG 85 85 17828 1 . ASN 86 86 17828 1 . THR 87 87 17828 1 . SER 88 88 17828 1 . LEU 89 89 17828 1 . ASN 90 90 17828 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 17828 _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 $HOIL-1_Ubl . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17828 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 17828 _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 $HOIL-1_Ubl . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 'Codon Plus RIL' . . . . . . . . . . . . . . pET21a . . . . . . 17828 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17828 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HOIL-1 Ubl' [U-15N] . . 1 $HOIL-1_Ubl . . 0.2 . . mM . . . . 17828 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 17828 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 17828 1 4 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17828 1 5 DSS 'natural abundance' . . . . . . 30 . . uM . . . . 17828 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17828 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17828 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17828 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HOIL-1 Ubl' '[U-13C; U-15N]' . . 1 $HOIL-1_Ubl . . 0.2 . . mM . . . . 17828 2 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 17828 2 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 17828 2 4 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17828 2 5 DSS 'natural abundance' . . . . . . 30 . . uM . . . . 17828 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17828 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17828 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17828 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HOIL-1 Ubl' '[U-13C; U-15N]' . . 1 $HOIL-1_Ubl . . 0.2 . . mM . . . . 17828 3 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 17828 3 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 17828 3 4 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17828 3 5 DSS 'natural abundance' . . . . . . 30 . . uM . . . . 17828 3 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17828 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17828 _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' 61 . mM 17828 1 pH 7.0 . pH 17828 1 pressure 1 . atm 17828 1 temperature 298 . K 17828 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17828 _Software.ID 1 _Software.Name NMRPipe _Software.Version 5.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17828 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17828 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17828 _Software.ID 2 _Software.Name NMRDraw _Software.Version 5.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17828 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17828 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17828 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17828 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17828 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17828 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version 2.11.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17828 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17828 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17828 _Software.ID 5 _Software.Name TALOS _Software.Version talosplus _Software.Details 'talosplus webserver' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17828 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17828 5 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17828 _Software.ID 6 _Software.Name NMRView _Software.Version 8.0.rc47 _Software.Details NMRViewJ loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17828 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17828 6 'data analysis' 17828 6 'peak picking' 17828 6 stop_ save_ save_Procheck _Software.Sf_category software _Software.Sf_framecode Procheck _Software.Entry_ID 17828 _Software.ID 7 _Software.Name Procheck _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho' . . 17828 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure verification' 17828 7 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17828 _Software.ID 8 _Software.Name VNMRJ _Software.Version 2.1B _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17828 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17828 8 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 17828 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '13C-enhanced triple resonance cold probe with z-gradients' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17828 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 '13C-enhanced triple resonance cold probe with z-gradients' . . 17828 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 17828 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17828 1 2 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17828 1 3 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17828 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17828 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17828 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17828 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17828 1 8 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17828 1 9 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17828 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17828 1 11 '3D HCCH-COSY aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17828 1 12 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17828 1 13 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17828 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17828 1 15 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17828 1 16 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17828 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 17828 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17828 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17828 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17828 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 17828 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17828 1 2 '3D HNCO' . . . 17828 1 3 '3D HN(CA)CO' . . . 17828 1 4 '3D HNCA' . . . 17828 1 5 '3D HN(CO)CA' . . . 17828 1 6 '3D HNCACB' . . . 17828 1 7 '3D CBCA(CO)NH' . . . 17828 1 8 '3D C(CO)NH' . . . 17828 1 9 '3D H(CCO)NH' . . . 17828 1 10 '3D HCCH-TOCSY' . . . 17828 1 11 '3D HCCH-COSY aromatic' . . . 17828 1 12 '2D 1H-13C HSQC aromatic' . . . 17828 1 13 '2D 1H-13C HSQC aliphatic' . . . 17828 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 2 2 PRO HA H 1 4.454 0.010 . 1 . . . A 2 PRO HA . 17828 1 2 . 1 1 2 2 PRO HB2 H 1 2.480 0.010 . 2 . . . A 2 PRO HB2 . 17828 1 3 . 1 1 2 2 PRO HB3 H 1 2.069 0.010 . 2 . . . A 2 PRO HB3 . 17828 1 4 . 1 1 2 2 PRO HG2 H 1 2.041 0.010 . 2 . . . A 2 PRO HG2 . 17828 1 5 . 1 1 2 2 PRO HG3 H 1 2.017 0.010 . 2 . . . A 2 PRO HG3 . 17828 1 6 . 1 1 2 2 PRO HD2 H 1 3.428 0.010 . 2 . . . A 2 PRO HD2 . 17828 1 7 . 1 1 2 2 PRO HD3 H 1 3.374 0.010 . 2 . . . A 2 PRO HD3 . 17828 1 8 . 1 1 2 2 PRO CA C 13 62.487 0.200 . 1 . . . A 2 PRO CA . 17828 1 9 . 1 1 2 2 PRO CB C 13 32.601 0.200 . 1 . . . A 2 PRO CB . 17828 1 10 . 1 1 2 2 PRO CG C 13 26.457 0.200 . 1 . . . A 2 PRO CG . 17828 1 11 . 1 1 2 2 PRO CD C 13 49.261 0.200 . 1 . . . A 2 PRO CD . 17828 1 12 . 1 1 3 3 THR HA H 1 4.371 0.010 . 1 . . . A 3 THR HA . 17828 1 13 . 1 1 3 3 THR HB H 1 4.219 0.010 . 1 . . . A 3 THR HB . 17828 1 14 . 1 1 3 3 THR HG21 H 1 1.227 0.010 . 1 . . . A 3 THR HG21 . 17828 1 15 . 1 1 3 3 THR HG22 H 1 1.227 0.010 . 1 . . . A 3 THR HG22 . 17828 1 16 . 1 1 3 3 THR HG23 H 1 1.227 0.010 . 1 . . . A 3 THR HG23 . 17828 1 17 . 1 1 3 3 THR C C 13 173.814 0.200 . 1 . . . A 3 THR C . 17828 1 18 . 1 1 3 3 THR CA C 13 62.259 0.200 . 1 . . . A 3 THR CA . 17828 1 19 . 1 1 3 3 THR CB C 13 69.831 0.200 . 1 . . . A 3 THR CB . 17828 1 20 . 1 1 3 3 THR CG2 C 13 21.683 0.200 . 1 . . . A 3 THR CG2 . 17828 1 21 . 1 1 4 4 GLN H H 1 8.496 0.010 . 1 . . . A 4 GLN H . 17828 1 22 . 1 1 4 4 GLN HA H 1 4.387 0.010 . 1 . . . A 4 GLN HA . 17828 1 23 . 1 1 4 4 GLN HB2 H 1 2.136 0.010 . 2 . . . A 4 GLN HB2 . 17828 1 24 . 1 1 4 4 GLN HB3 H 1 1.972 0.010 . 2 . . . A 4 GLN HB3 . 17828 1 25 . 1 1 4 4 GLN HG2 H 1 2.391 0.010 . 1 . . . A 4 GLN HG2 . 17828 1 26 . 1 1 4 4 GLN HG3 H 1 2.391 0.010 . 1 . . . A 4 GLN HG3 . 17828 1 27 . 1 1 4 4 GLN HE21 H 1 7.554 0.010 . 1 . . . A 4 GLN HE21 . 17828 1 28 . 1 1 4 4 GLN HE22 H 1 6.880 0.010 . 1 . . . A 4 GLN HE22 . 17828 1 29 . 1 1 4 4 GLN C C 13 174.673 0.200 . 1 . . . A 4 GLN C . 17828 1 30 . 1 1 4 4 GLN CA C 13 55.794 0.200 . 1 . . . A 4 GLN CA . 17828 1 31 . 1 1 4 4 GLN CB C 13 30.059 0.200 . 1 . . . A 4 GLN CB . 17828 1 32 . 1 1 4 4 GLN CG C 13 33.919 0.200 . 1 . . . A 4 GLN CG . 17828 1 33 . 1 1 4 4 GLN CD C 13 180.692 0.200 . 1 . . . A 4 GLN CD . 17828 1 34 . 1 1 4 4 GLN N N 15 122.555 0.100 . 1 . . . A 4 GLN N . 17828 1 35 . 1 1 4 4 GLN NE2 N 15 112.345 0.100 . 1 . . . A 4 GLN NE2 . 17828 1 36 . 1 1 5 5 ASP H H 1 7.927 0.010 . 1 . . . A 5 ASP H . 17828 1 37 . 1 1 5 5 ASP HA H 1 4.838 0.010 . 1 . . . A 5 ASP HA . 17828 1 38 . 1 1 5 5 ASP HB2 H 1 2.458 0.010 . 2 . . . A 5 ASP HB2 . 17828 1 39 . 1 1 5 5 ASP HB3 H 1 2.406 0.010 . 2 . . . A 5 ASP HB3 . 17828 1 40 . 1 1 5 5 ASP C C 13 176.245 0.200 . 1 . . . A 5 ASP C . 17828 1 41 . 1 1 5 5 ASP CA C 13 54.537 0.200 . 1 . . . A 5 ASP CA . 17828 1 42 . 1 1 5 5 ASP CB C 13 41.754 0.200 . 1 . . . A 5 ASP CB . 17828 1 43 . 1 1 5 5 ASP N N 15 120.261 0.100 . 1 . . . A 5 ASP N . 17828 1 44 . 1 1 6 6 ILE H H 1 9.113 0.010 . 1 . . . A 6 ILE H . 17828 1 45 . 1 1 6 6 ILE HA H 1 4.675 0.010 . 1 . . . A 6 ILE HA . 17828 1 46 . 1 1 6 6 ILE HB H 1 1.469 0.010 . 1 . . . A 6 ILE HB . 17828 1 47 . 1 1 6 6 ILE HG12 H 1 1.293 0.010 . 2 . . . A 6 ILE HG12 . 17828 1 48 . 1 1 6 6 ILE HG13 H 1 0.722 0.010 . 2 . . . A 6 ILE HG13 . 17828 1 49 . 1 1 6 6 ILE HG21 H 1 0.662 0.010 . 1 . . . A 6 ILE HG21 . 17828 1 50 . 1 1 6 6 ILE HG22 H 1 0.662 0.010 . 1 . . . A 6 ILE HG22 . 17828 1 51 . 1 1 6 6 ILE HG23 H 1 0.662 0.010 . 1 . . . A 6 ILE HG23 . 17828 1 52 . 1 1 6 6 ILE HD11 H 1 0.496 0.010 . 1 . . . A 6 ILE HD11 . 17828 1 53 . 1 1 6 6 ILE HD12 H 1 0.496 0.010 . 1 . . . A 6 ILE HD12 . 17828 1 54 . 1 1 6 6 ILE HD13 H 1 0.496 0.010 . 1 . . . A 6 ILE HD13 . 17828 1 55 . 1 1 6 6 ILE C C 13 174.352 0.200 . 1 . . . A 6 ILE C . 17828 1 56 . 1 1 6 6 ILE CA C 13 59.262 0.200 . 1 . . . A 6 ILE CA . 17828 1 57 . 1 1 6 6 ILE CB C 13 42.503 0.200 . 1 . . . A 6 ILE CB . 17828 1 58 . 1 1 6 6 ILE CG1 C 13 27.157 0.200 . 1 . . . A 6 ILE CG1 . 17828 1 59 . 1 1 6 6 ILE CG2 C 13 18.115 0.200 . 1 . . . A 6 ILE CG2 . 17828 1 60 . 1 1 6 6 ILE CD1 C 13 14.728 0.200 . 1 . . . A 6 ILE CD1 . 17828 1 61 . 1 1 6 6 ILE N N 15 118.229 0.100 . 1 . . . A 6 ILE N . 17828 1 62 . 1 1 7 7 ARG H H 1 8.704 0.010 . 1 . . . A 7 ARG H . 17828 1 63 . 1 1 7 7 ARG HA H 1 5.082 0.010 . 1 . . . A 7 ARG HA . 17828 1 64 . 1 1 7 7 ARG HB2 H 1 1.838 0.010 . 2 . . . A 7 ARG HB2 . 17828 1 65 . 1 1 7 7 ARG HB3 H 1 1.723 0.010 . 2 . . . A 7 ARG HB3 . 17828 1 66 . 1 1 7 7 ARG HG2 H 1 1.539 0.010 . 1 . . . A 7 ARG HG2 . 17828 1 67 . 1 1 7 7 ARG HG3 H 1 1.539 0.010 . 1 . . . A 7 ARG HG3 . 17828 1 68 . 1 1 7 7 ARG HD2 H 1 2.895 0.010 . 2 . . . A 7 ARG HD2 . 17828 1 69 . 1 1 7 7 ARG HD3 H 1 2.817 0.010 . 2 . . . A 7 ARG HD3 . 17828 1 70 . 1 1 7 7 ARG C C 13 173.889 0.200 . 1 . . . A 7 ARG C . 17828 1 71 . 1 1 7 7 ARG CA C 13 54.860 0.200 . 1 . . . A 7 ARG CA . 17828 1 72 . 1 1 7 7 ARG CB C 13 30.423 0.200 . 1 . . . A 7 ARG CB . 17828 1 73 . 1 1 7 7 ARG CG C 13 27.173 0.200 . 1 . . . A 7 ARG CG . 17828 1 74 . 1 1 7 7 ARG CD C 13 42.943 0.200 . 1 . . . A 7 ARG CD . 17828 1 75 . 1 1 7 7 ARG N N 15 123.019 0.100 . 1 . . . A 7 ARG N . 17828 1 76 . 1 1 8 8 LEU H H 1 9.566 0.010 . 1 . . . A 8 LEU H . 17828 1 77 . 1 1 8 8 LEU HA H 1 4.742 0.010 . 1 . . . A 8 LEU HA . 17828 1 78 . 1 1 8 8 LEU HB2 H 1 1.832 0.010 . 2 . . . A 8 LEU HB2 . 17828 1 79 . 1 1 8 8 LEU HB3 H 1 1.088 0.010 . 2 . . . A 8 LEU HB3 . 17828 1 80 . 1 1 8 8 LEU HG H 1 1.420 0.010 . 1 . . . A 8 LEU HG . 17828 1 81 . 1 1 8 8 LEU HD11 H 1 0.724 0.010 . 2 . . . A 8 LEU HD11 . 17828 1 82 . 1 1 8 8 LEU HD12 H 1 0.724 0.010 . 2 . . . A 8 LEU HD12 . 17828 1 83 . 1 1 8 8 LEU HD13 H 1 0.724 0.010 . 2 . . . A 8 LEU HD13 . 17828 1 84 . 1 1 8 8 LEU HD21 H 1 0.602 0.010 . 2 . . . A 8 LEU HD21 . 17828 1 85 . 1 1 8 8 LEU HD22 H 1 0.602 0.010 . 2 . . . A 8 LEU HD22 . 17828 1 86 . 1 1 8 8 LEU HD23 H 1 0.602 0.010 . 2 . . . A 8 LEU HD23 . 17828 1 87 . 1 1 8 8 LEU C C 13 174.510 0.200 . 1 . . . A 8 LEU C . 17828 1 88 . 1 1 8 8 LEU CA C 13 53.539 0.200 . 1 . . . A 8 LEU CA . 17828 1 89 . 1 1 8 8 LEU CB C 13 47.099 0.200 . 1 . . . A 8 LEU CB . 17828 1 90 . 1 1 8 8 LEU CG C 13 26.446 0.200 . 1 . . . A 8 LEU CG . 17828 1 91 . 1 1 8 8 LEU CD1 C 13 23.929 0.200 . 2 . . . A 8 LEU CD1 . 17828 1 92 . 1 1 8 8 LEU CD2 C 13 26.512 0.200 . 2 . . . A 8 LEU CD2 . 17828 1 93 . 1 1 8 8 LEU N N 15 130.483 0.100 . 1 . . . A 8 LEU N . 17828 1 94 . 1 1 9 9 TRP H H 1 8.821 0.010 . 1 . . . A 9 TRP H . 17828 1 95 . 1 1 9 9 TRP HA H 1 5.181 0.010 . 1 . . . A 9 TRP HA . 17828 1 96 . 1 1 9 9 TRP HB2 H 1 2.950 0.010 . 2 . . . A 9 TRP HB2 . 17828 1 97 . 1 1 9 9 TRP HB3 H 1 2.833 0.010 . 2 . . . A 9 TRP HB3 . 17828 1 98 . 1 1 9 9 TRP HD1 H 1 7.096 0.010 . 1 . . . A 9 TRP HD1 . 17828 1 99 . 1 1 9 9 TRP HE1 H 1 9.845 0.010 . 1 . . . A 9 TRP HE1 . 17828 1 100 . 1 1 9 9 TRP HE3 H 1 7.382 0.020 . 1 . . . A 9 TRP HE3 . 17828 1 101 . 1 1 9 9 TRP HZ2 H 1 7.297 0.020 . 1 . . . A 9 TRP HZ2 . 17828 1 102 . 1 1 9 9 TRP HZ3 H 1 6.986 0.010 . 1 . . . A 9 TRP HZ3 . 17828 1 103 . 1 1 9 9 TRP HH2 H 1 7.112 0.020 . 1 . . . A 9 TRP HH2 . 17828 1 104 . 1 1 9 9 TRP C C 13 175.670 0.200 . 1 . . . A 9 TRP C . 17828 1 105 . 1 1 9 9 TRP CA C 13 57.128 0.200 . 1 . . . A 9 TRP CA . 17828 1 106 . 1 1 9 9 TRP CB C 13 30.960 0.200 . 1 . . . A 9 TRP CB . 17828 1 107 . 1 1 9 9 TRP CD1 C 13 126.684 0.200 . 1 . . . A 9 TRP CD1 . 17828 1 108 . 1 1 9 9 TRP CE3 C 13 120.322 0.200 . 1 . . . A 9 TRP CE3 . 17828 1 109 . 1 1 9 9 TRP CZ2 C 13 113.807 0.400 . 1 . . . A 9 TRP CZ2 . 17828 1 110 . 1 1 9 9 TRP CZ3 C 13 121.317 0.200 . 1 . . . A 9 TRP CZ3 . 17828 1 111 . 1 1 9 9 TRP CH2 C 13 123.798 0.300 . 1 . . . A 9 TRP CH2 . 17828 1 112 . 1 1 9 9 TRP N N 15 130.399 0.100 . 1 . . . A 9 TRP N . 17828 1 113 . 1 1 9 9 TRP NE1 N 15 128.610 0.100 . 1 . . . A 9 TRP NE1 . 17828 1 114 . 1 1 10 10 VAL H H 1 9.731 0.010 . 1 . . . A 10 VAL H . 17828 1 115 . 1 1 10 10 VAL HA H 1 4.604 0.010 . 1 . . . A 10 VAL HA . 17828 1 116 . 1 1 10 10 VAL HB H 1 1.778 0.010 . 1 . . . A 10 VAL HB . 17828 1 117 . 1 1 10 10 VAL HG11 H 1 0.443 0.010 . 2 . . . A 10 VAL HG11 . 17828 1 118 . 1 1 10 10 VAL HG12 H 1 0.443 0.010 . 2 . . . A 10 VAL HG12 . 17828 1 119 . 1 1 10 10 VAL HG13 H 1 0.443 0.010 . 2 . . . A 10 VAL HG13 . 17828 1 120 . 1 1 10 10 VAL HG21 H 1 0.869 0.010 . 2 . . . A 10 VAL HG21 . 17828 1 121 . 1 1 10 10 VAL HG22 H 1 0.869 0.010 . 2 . . . A 10 VAL HG22 . 17828 1 122 . 1 1 10 10 VAL HG23 H 1 0.869 0.010 . 2 . . . A 10 VAL HG23 . 17828 1 123 . 1 1 10 10 VAL C C 13 173.167 0.200 . 1 . . . A 10 VAL C . 17828 1 124 . 1 1 10 10 VAL CA C 13 60.422 0.200 . 1 . . . A 10 VAL CA . 17828 1 125 . 1 1 10 10 VAL CB C 13 34.287 0.200 . 1 . . . A 10 VAL CB . 17828 1 126 . 1 1 10 10 VAL CG1 C 13 22.691 0.200 . 2 . . . A 10 VAL CG1 . 17828 1 127 . 1 1 10 10 VAL CG2 C 13 21.910 0.200 . 2 . . . A 10 VAL CG2 . 17828 1 128 . 1 1 10 10 VAL N N 15 125.037 0.100 . 1 . . . A 10 VAL N . 17828 1 129 . 1 1 11 11 SER H H 1 9.211 0.010 . 1 . . . A 11 SER H . 17828 1 130 . 1 1 11 11 SER HA H 1 3.758 0.010 . 1 . . . A 11 SER HA . 17828 1 131 . 1 1 11 11 SER HB2 H 1 3.828 0.010 . 1 . . . A 11 SER HB2 . 17828 1 132 . 1 1 11 11 SER HB3 H 1 3.828 0.010 . 1 . . . A 11 SER HB3 . 17828 1 133 . 1 1 11 11 SER CA C 13 62.299 0.200 . 1 . . . A 11 SER CA . 17828 1 134 . 1 1 11 11 SER CB C 13 62.682 0.200 . 1 . . . A 11 SER CB . 17828 1 135 . 1 1 11 11 SER N N 15 126.607 0.100 . 1 . . . A 11 SER N . 17828 1 136 . 1 1 12 12 VAL H H 1 8.465 0.010 . 1 . . . A 12 VAL H . 17828 1 137 . 1 1 12 12 VAL HA H 1 4.517 0.010 . 1 . . . A 12 VAL HA . 17828 1 138 . 1 1 12 12 VAL HB H 1 1.896 0.010 . 1 . . . A 12 VAL HB . 17828 1 139 . 1 1 12 12 VAL HG11 H 1 0.291 0.010 . 2 . . . A 12 VAL HG11 . 17828 1 140 . 1 1 12 12 VAL HG12 H 1 0.291 0.010 . 2 . . . A 12 VAL HG12 . 17828 1 141 . 1 1 12 12 VAL HG13 H 1 0.291 0.010 . 2 . . . A 12 VAL HG13 . 17828 1 142 . 1 1 12 12 VAL HG21 H 1 0.498 0.010 . 2 . . . A 12 VAL HG21 . 17828 1 143 . 1 1 12 12 VAL HG22 H 1 0.498 0.010 . 2 . . . A 12 VAL HG22 . 17828 1 144 . 1 1 12 12 VAL HG23 H 1 0.498 0.010 . 2 . . . A 12 VAL HG23 . 17828 1 145 . 1 1 12 12 VAL C C 13 174.817 0.200 . 1 . . . A 12 VAL C . 17828 1 146 . 1 1 12 12 VAL CA C 13 60.614 0.200 . 1 . . . A 12 VAL CA . 17828 1 147 . 1 1 12 12 VAL CB C 13 32.316 0.200 . 1 . . . A 12 VAL CB . 17828 1 148 . 1 1 12 12 VAL CG1 C 13 20.395 0.200 . 2 . . . A 12 VAL CG1 . 17828 1 149 . 1 1 12 12 VAL CG2 C 13 21.244 0.200 . 2 . . . A 12 VAL CG2 . 17828 1 150 . 1 1 12 12 VAL N N 15 125.021 0.100 . 1 . . . A 12 VAL N . 17828 1 151 . 1 1 13 13 GLU H H 1 8.650 0.010 . 1 . . . A 13 GLU H . 17828 1 152 . 1 1 13 13 GLU HA H 1 4.972 0.010 . 1 . . . A 13 GLU HA . 17828 1 153 . 1 1 13 13 GLU HB2 H 1 2.355 0.010 . 2 . . . A 13 GLU HB2 . 17828 1 154 . 1 1 13 13 GLU HB3 H 1 1.676 0.010 . 2 . . . A 13 GLU HB3 . 17828 1 155 . 1 1 13 13 GLU HG2 H 1 2.341 0.010 . 2 . . . A 13 GLU HG2 . 17828 1 156 . 1 1 13 13 GLU HG3 H 1 1.915 0.010 . 2 . . . A 13 GLU HG3 . 17828 1 157 . 1 1 13 13 GLU CA C 13 54.600 0.200 . 1 . . . A 13 GLU CA . 17828 1 158 . 1 1 13 13 GLU CB C 13 32.428 0.200 . 1 . . . A 13 GLU CB . 17828 1 159 . 1 1 13 13 GLU CG C 13 37.380 0.200 . 1 . . . A 13 GLU CG . 17828 1 160 . 1 1 13 13 GLU N N 15 129.436 0.100 . 1 . . . A 13 GLU N . 17828 1 161 . 1 1 14 14 ASP H H 1 10.531 0.010 . 1 . . . A 14 ASP H . 17828 1 162 . 1 1 14 14 ASP HA H 1 4.648 0.010 . 1 . . . A 14 ASP HA . 17828 1 163 . 1 1 14 14 ASP HB2 H 1 3.292 0.010 . 2 . . . A 14 ASP HB2 . 17828 1 164 . 1 1 14 14 ASP HB3 H 1 2.580 0.010 . 2 . . . A 14 ASP HB3 . 17828 1 165 . 1 1 14 14 ASP C C 13 177.187 0.200 . 1 . . . A 14 ASP C . 17828 1 166 . 1 1 14 14 ASP CA C 13 52.532 0.200 . 1 . . . A 14 ASP CA . 17828 1 167 . 1 1 14 14 ASP CB C 13 41.526 0.200 . 1 . . . A 14 ASP CB . 17828 1 168 . 1 1 14 14 ASP N N 15 129.228 0.100 . 1 . . . A 14 ASP N . 17828 1 169 . 1 1 15 15 ALA H H 1 8.382 0.010 . 1 . . . A 15 ALA H . 17828 1 170 . 1 1 15 15 ALA HA H 1 4.228 0.010 . 1 . . . A 15 ALA HA . 17828 1 171 . 1 1 15 15 ALA HB1 H 1 1.359 0.010 . 1 . . . A 15 ALA HB1 . 17828 1 172 . 1 1 15 15 ALA HB2 H 1 1.359 0.010 . 1 . . . A 15 ALA HB2 . 17828 1 173 . 1 1 15 15 ALA HB3 H 1 1.359 0.010 . 1 . . . A 15 ALA HB3 . 17828 1 174 . 1 1 15 15 ALA C C 13 178.364 0.200 . 1 . . . A 15 ALA C . 17828 1 175 . 1 1 15 15 ALA CA C 13 54.174 0.200 . 1 . . . A 15 ALA CA . 17828 1 176 . 1 1 15 15 ALA CB C 13 18.177 0.200 . 1 . . . A 15 ALA CB . 17828 1 177 . 1 1 15 15 ALA N N 15 118.952 0.100 . 1 . . . A 15 ALA N . 17828 1 178 . 1 1 16 16 GLN H H 1 8.142 0.010 . 1 . . . A 16 GLN H . 17828 1 179 . 1 1 16 16 GLN HA H 1 4.334 0.010 . 1 . . . A 16 GLN HA . 17828 1 180 . 1 1 16 16 GLN HB2 H 1 2.164 0.010 . 2 . . . A 16 GLN HB2 . 17828 1 181 . 1 1 16 16 GLN HB3 H 1 1.891 0.010 . 2 . . . A 16 GLN HB3 . 17828 1 182 . 1 1 16 16 GLN HG2 H 1 2.316 0.010 . 2 . . . A 16 GLN HG2 . 17828 1 183 . 1 1 16 16 GLN HG3 H 1 2.253 0.010 . 2 . . . A 16 GLN HG3 . 17828 1 184 . 1 1 16 16 GLN HE21 H 1 7.513 0.010 . 1 . . . A 16 GLN HE21 . 17828 1 185 . 1 1 16 16 GLN HE22 H 1 6.817 0.010 . 1 . . . A 16 GLN HE22 . 17828 1 186 . 1 1 16 16 GLN C C 13 174.890 0.200 . 1 . . . A 16 GLN C . 17828 1 187 . 1 1 16 16 GLN CA C 13 55.586 0.200 . 1 . . . A 16 GLN CA . 17828 1 188 . 1 1 16 16 GLN CB C 13 28.352 0.200 . 1 . . . A 16 GLN CB . 17828 1 189 . 1 1 16 16 GLN CG C 13 34.799 0.200 . 1 . . . A 16 GLN CG . 17828 1 190 . 1 1 16 16 GLN CD C 13 180.906 0.200 . 1 . . . A 16 GLN CD . 17828 1 191 . 1 1 16 16 GLN N N 15 116.834 0.100 . 1 . . . A 16 GLN N . 17828 1 192 . 1 1 16 16 GLN NE2 N 15 111.821 0.100 . 1 . . . A 16 GLN NE2 . 17828 1 193 . 1 1 17 17 MET H H 1 8.247 0.010 . 1 . . . A 17 MET H . 17828 1 194 . 1 1 17 17 MET HA H 1 3.909 0.010 . 1 . . . A 17 MET HA . 17828 1 195 . 1 1 17 17 MET HG2 H 1 2.375 0.010 . 1 . . . A 17 MET HG2 . 17828 1 196 . 1 1 17 17 MET HG3 H 1 2.375 0.010 . 1 . . . A 17 MET HG3 . 17828 1 197 . 1 1 17 17 MET HE1 H 1 2.041 0.010 . 1 . . . A 17 MET HE1 . 17828 1 198 . 1 1 17 17 MET HE2 H 1 2.041 0.010 . 1 . . . A 17 MET HE2 . 17828 1 199 . 1 1 17 17 MET HE3 H 1 2.041 0.010 . 1 . . . A 17 MET HE3 . 17828 1 200 . 1 1 17 17 MET CA C 13 57.314 0.200 . 1 . . . A 17 MET CA . 17828 1 201 . 1 1 17 17 MET CB C 13 29.175 0.200 . 1 . . . A 17 MET CB . 17828 1 202 . 1 1 17 17 MET CE C 13 16.855 0.200 . 1 . . . A 17 MET CE . 17828 1 203 . 1 1 17 17 MET N N 15 112.753 0.100 . 1 . . . A 17 MET N . 17828 1 204 . 1 1 18 18 HIS HA H 1 4.390 0.010 . 1 . . . A 18 HIS HA . 17828 1 205 . 1 1 18 18 HIS HB2 H 1 3.353 0.010 . 1 . . . A 18 HIS HB2 . 17828 1 206 . 1 1 18 18 HIS HB3 H 1 3.353 0.010 . 1 . . . A 18 HIS HB3 . 17828 1 207 . 1 1 18 18 HIS HD2 H 1 7.109 0.010 . 1 . . . A 18 HIS HD2 . 17828 1 208 . 1 1 18 18 HIS HE1 H 1 7.886 0.010 . 1 . . . A 18 HIS HE1 . 17828 1 209 . 1 1 18 18 HIS C C 13 173.239 0.200 . 1 . . . A 18 HIS C . 17828 1 210 . 1 1 18 18 HIS CA C 13 56.570 0.200 . 1 . . . A 18 HIS CA . 17828 1 211 . 1 1 18 18 HIS CD2 C 13 119.710 0.200 . 1 . . . A 18 HIS CD2 . 17828 1 212 . 1 1 18 18 HIS CE1 C 13 138.193 0.200 . 1 . . . A 18 HIS CE1 . 17828 1 213 . 1 1 19 19 THR H H 1 9.109 0.010 . 1 . . . A 19 THR H . 17828 1 214 . 1 1 19 19 THR HA H 1 5.545 0.010 . 1 . . . A 19 THR HA . 17828 1 215 . 1 1 19 19 THR HB H 1 3.860 0.010 . 1 . . . A 19 THR HB . 17828 1 216 . 1 1 19 19 THR HG21 H 1 0.992 0.010 . 1 . . . A 19 THR HG21 . 17828 1 217 . 1 1 19 19 THR HG22 H 1 0.992 0.010 . 1 . . . A 19 THR HG22 . 17828 1 218 . 1 1 19 19 THR HG23 H 1 0.992 0.010 . 1 . . . A 19 THR HG23 . 17828 1 219 . 1 1 19 19 THR C C 13 174.341 0.200 . 1 . . . A 19 THR C . 17828 1 220 . 1 1 19 19 THR CA C 13 60.832 0.200 . 1 . . . A 19 THR CA . 17828 1 221 . 1 1 19 19 THR CB C 13 71.028 0.200 . 1 . . . A 19 THR CB . 17828 1 222 . 1 1 19 19 THR CG2 C 13 21.570 0.200 . 1 . . . A 19 THR CG2 . 17828 1 223 . 1 1 19 19 THR N N 15 129.632 0.100 . 1 . . . A 19 THR N . 17828 1 224 . 1 1 20 20 VAL H H 1 8.558 0.010 . 1 . . . A 20 VAL H . 17828 1 225 . 1 1 20 20 VAL HA H 1 4.501 0.010 . 1 . . . A 20 VAL HA . 17828 1 226 . 1 1 20 20 VAL HB H 1 2.042 0.010 . 1 . . . A 20 VAL HB . 17828 1 227 . 1 1 20 20 VAL HG11 H 1 0.857 0.010 . 2 . . . A 20 VAL HG11 . 17828 1 228 . 1 1 20 20 VAL HG12 H 1 0.857 0.010 . 2 . . . A 20 VAL HG12 . 17828 1 229 . 1 1 20 20 VAL HG13 H 1 0.857 0.010 . 2 . . . A 20 VAL HG13 . 17828 1 230 . 1 1 20 20 VAL HG21 H 1 0.799 0.010 . 2 . . . A 20 VAL HG21 . 17828 1 231 . 1 1 20 20 VAL HG22 H 1 0.799 0.010 . 2 . . . A 20 VAL HG22 . 17828 1 232 . 1 1 20 20 VAL HG23 H 1 0.799 0.010 . 2 . . . A 20 VAL HG23 . 17828 1 233 . 1 1 20 20 VAL C C 13 173.602 0.200 . 1 . . . A 20 VAL C . 17828 1 234 . 1 1 20 20 VAL CA C 13 60.248 0.200 . 1 . . . A 20 VAL CA . 17828 1 235 . 1 1 20 20 VAL CB C 13 35.361 0.200 . 1 . . . A 20 VAL CB . 17828 1 236 . 1 1 20 20 VAL CG1 C 13 20.720 0.200 . 2 . . . A 20 VAL CG1 . 17828 1 237 . 1 1 20 20 VAL CG2 C 13 19.424 0.200 . 2 . . . A 20 VAL CG2 . 17828 1 238 . 1 1 20 20 VAL N N 15 121.665 0.100 . 1 . . . A 20 VAL N . 17828 1 239 . 1 1 21 21 THR H H 1 8.095 0.010 . 1 . . . A 21 THR H . 17828 1 240 . 1 1 21 21 THR HA H 1 5.091 0.010 . 1 . . . A 21 THR HA . 17828 1 241 . 1 1 21 21 THR HB H 1 3.454 0.010 . 1 . . . A 21 THR HB . 17828 1 242 . 1 1 21 21 THR HG21 H 1 0.669 0.010 . 1 . . . A 21 THR HG21 . 17828 1 243 . 1 1 21 21 THR HG22 H 1 0.669 0.010 . 1 . . . A 21 THR HG22 . 17828 1 244 . 1 1 21 21 THR HG23 H 1 0.669 0.010 . 1 . . . A 21 THR HG23 . 17828 1 245 . 1 1 21 21 THR C C 13 174.320 0.200 . 1 . . . A 21 THR C . 17828 1 246 . 1 1 21 21 THR CA C 13 60.221 0.200 . 1 . . . A 21 THR CA . 17828 1 247 . 1 1 21 21 THR CB C 13 70.340 0.200 . 1 . . . A 21 THR CB . 17828 1 248 . 1 1 21 21 THR CG2 C 13 21.591 0.200 . 1 . . . A 21 THR CG2 . 17828 1 249 . 1 1 21 21 THR N N 15 116.545 0.100 . 1 . . . A 21 THR N . 17828 1 250 . 1 1 22 22 ILE H H 1 8.785 0.010 . 1 . . . A 22 ILE H . 17828 1 251 . 1 1 22 22 ILE HA H 1 4.565 0.010 . 1 . . . A 22 ILE HA . 17828 1 252 . 1 1 22 22 ILE HB H 1 1.732 0.010 . 1 . . . A 22 ILE HB . 17828 1 253 . 1 1 22 22 ILE HG12 H 1 1.005 0.010 . 2 . . . A 22 ILE HG12 . 17828 1 254 . 1 1 22 22 ILE HG13 H 1 0.643 0.010 . 2 . . . A 22 ILE HG13 . 17828 1 255 . 1 1 22 22 ILE HG21 H 1 0.626 0.010 . 1 . . . A 22 ILE HG21 . 17828 1 256 . 1 1 22 22 ILE HG22 H 1 0.626 0.010 . 1 . . . A 22 ILE HG22 . 17828 1 257 . 1 1 22 22 ILE HG23 H 1 0.626 0.010 . 1 . . . A 22 ILE HG23 . 17828 1 258 . 1 1 22 22 ILE HD11 H 1 0.203 0.010 . 1 . . . A 22 ILE HD11 . 17828 1 259 . 1 1 22 22 ILE HD12 H 1 0.203 0.010 . 1 . . . A 22 ILE HD12 . 17828 1 260 . 1 1 22 22 ILE HD13 H 1 0.203 0.010 . 1 . . . A 22 ILE HD13 . 17828 1 261 . 1 1 22 22 ILE C C 13 172.820 0.200 . 1 . . . A 22 ILE C . 17828 1 262 . 1 1 22 22 ILE CA C 13 59.696 0.200 . 1 . . . A 22 ILE CA . 17828 1 263 . 1 1 22 22 ILE CB C 13 42.401 0.200 . 1 . . . A 22 ILE CB . 17828 1 264 . 1 1 22 22 ILE CG1 C 13 26.189 0.200 . 1 . . . A 22 ILE CG1 . 17828 1 265 . 1 1 22 22 ILE CG2 C 13 17.560 0.200 . 1 . . . A 22 ILE CG2 . 17828 1 266 . 1 1 22 22 ILE CD1 C 13 12.635 0.200 . 1 . . . A 22 ILE CD1 . 17828 1 267 . 1 1 22 22 ILE N N 15 120.515 0.100 . 1 . . . A 22 ILE N . 17828 1 268 . 1 1 23 23 TRP H H 1 8.222 0.010 . 1 . . . A 23 TRP H . 17828 1 269 . 1 1 23 23 TRP HA H 1 5.556 0.010 . 1 . . . A 23 TRP HA . 17828 1 270 . 1 1 23 23 TRP HB2 H 1 2.929 0.010 . 2 . . . A 23 TRP HB2 . 17828 1 271 . 1 1 23 23 TRP HB3 H 1 2.833 0.010 . 2 . . . A 23 TRP HB3 . 17828 1 272 . 1 1 23 23 TRP HD1 H 1 6.359 0.010 . 1 . . . A 23 TRP HD1 . 17828 1 273 . 1 1 23 23 TRP HE1 H 1 9.770 0.010 . 1 . . . A 23 TRP HE1 . 17828 1 274 . 1 1 23 23 TRP HE3 H 1 6.998 0.020 . 1 . . . A 23 TRP HE3 . 17828 1 275 . 1 1 23 23 TRP HZ2 H 1 7.292 0.020 . 1 . . . A 23 TRP HZ2 . 17828 1 276 . 1 1 23 23 TRP HZ3 H 1 6.694 0.020 . 1 . . . A 23 TRP HZ3 . 17828 1 277 . 1 1 23 23 TRP HH2 H 1 7.088 0.020 . 1 . . . A 23 TRP HH2 . 17828 1 278 . 1 1 23 23 TRP C C 13 176.322 0.200 . 1 . . . A 23 TRP C . 17828 1 279 . 1 1 23 23 TRP CA C 13 55.849 0.200 . 1 . . . A 23 TRP CA . 17828 1 280 . 1 1 23 23 TRP CB C 13 31.442 0.200 . 1 . . . A 23 TRP CB . 17828 1 281 . 1 1 23 23 TRP CD1 C 13 126.128 0.200 . 1 . . . A 23 TRP CD1 . 17828 1 282 . 1 1 23 23 TRP CE3 C 13 121.083 0.400 . 1 . . . A 23 TRP CE3 . 17828 1 283 . 1 1 23 23 TRP CZ2 C 13 114.552 0.200 . 1 . . . A 23 TRP CZ2 . 17828 1 284 . 1 1 23 23 TRP CZ3 C 13 121.083 0.200 . 1 . . . A 23 TRP CZ3 . 17828 1 285 . 1 1 23 23 TRP CH2 C 13 123.855 0.400 . 1 . . . A 23 TRP CH2 . 17828 1 286 . 1 1 23 23 TRP N N 15 119.389 0.100 . 1 . . . A 23 TRP N . 17828 1 287 . 1 1 23 23 TRP NE1 N 15 127.989 0.100 . 1 . . . A 23 TRP NE1 . 17828 1 288 . 1 1 24 24 LEU H H 1 9.252 0.010 . 1 . . . A 24 LEU H . 17828 1 289 . 1 1 24 24 LEU HA H 1 4.970 0.010 . 1 . . . A 24 LEU HA . 17828 1 290 . 1 1 24 24 LEU HB2 H 1 1.560 0.010 . 2 . . . A 24 LEU HB2 . 17828 1 291 . 1 1 24 24 LEU HB3 H 1 1.444 0.010 . 2 . . . A 24 LEU HB3 . 17828 1 292 . 1 1 24 24 LEU HG H 1 1.458 0.010 . 1 . . . A 24 LEU HG . 17828 1 293 . 1 1 24 24 LEU HD11 H 1 1.053 0.010 . 2 . . . A 24 LEU HD11 . 17828 1 294 . 1 1 24 24 LEU HD12 H 1 1.053 0.010 . 2 . . . A 24 LEU HD12 . 17828 1 295 . 1 1 24 24 LEU HD13 H 1 1.053 0.010 . 2 . . . A 24 LEU HD13 . 17828 1 296 . 1 1 24 24 LEU HD21 H 1 0.902 0.010 . 2 . . . A 24 LEU HD21 . 17828 1 297 . 1 1 24 24 LEU HD22 H 1 0.902 0.010 . 2 . . . A 24 LEU HD22 . 17828 1 298 . 1 1 24 24 LEU HD23 H 1 0.902 0.010 . 2 . . . A 24 LEU HD23 . 17828 1 299 . 1 1 24 24 LEU C C 13 176.063 0.200 . 1 . . . A 24 LEU C . 17828 1 300 . 1 1 24 24 LEU CA C 13 52.922 0.200 . 1 . . . A 24 LEU CA . 17828 1 301 . 1 1 24 24 LEU CB C 13 46.630 0.200 . 1 . . . A 24 LEU CB . 17828 1 302 . 1 1 24 24 LEU CG C 13 28.105 0.200 . 1 . . . A 24 LEU CG . 17828 1 303 . 1 1 24 24 LEU CD1 C 13 24.175 0.200 . 2 . . . A 24 LEU CD1 . 17828 1 304 . 1 1 24 24 LEU CD2 C 13 27.979 0.200 . 2 . . . A 24 LEU CD2 . 17828 1 305 . 1 1 24 24 LEU N N 15 122.032 0.100 . 1 . . . A 24 LEU N . 17828 1 306 . 1 1 25 25 THR H H 1 8.872 0.010 . 1 . . . A 25 THR H . 17828 1 307 . 1 1 25 25 THR HA H 1 5.075 0.010 . 1 . . . A 25 THR HA . 17828 1 308 . 1 1 25 25 THR HB H 1 4.044 0.010 . 1 . . . A 25 THR HB . 17828 1 309 . 1 1 25 25 THR HG21 H 1 1.110 0.010 . 1 . . . A 25 THR HG21 . 17828 1 310 . 1 1 25 25 THR HG22 H 1 1.110 0.010 . 1 . . . A 25 THR HG22 . 17828 1 311 . 1 1 25 25 THR HG23 H 1 1.110 0.010 . 1 . . . A 25 THR HG23 . 17828 1 312 . 1 1 25 25 THR C C 13 174.406 0.200 . 1 . . . A 25 THR C . 17828 1 313 . 1 1 25 25 THR CA C 13 62.746 0.200 . 1 . . . A 25 THR CA . 17828 1 314 . 1 1 25 25 THR CB C 13 68.515 0.200 . 1 . . . A 25 THR CB . 17828 1 315 . 1 1 25 25 THR CG2 C 13 22.448 0.200 . 1 . . . A 25 THR CG2 . 17828 1 316 . 1 1 25 25 THR N N 15 120.424 0.100 . 1 . . . A 25 THR N . 17828 1 317 . 1 1 26 26 VAL H H 1 9.122 0.010 . 1 . . . A 26 VAL H . 17828 1 318 . 1 1 26 26 VAL HA H 1 4.737 0.010 . 1 . . . A 26 VAL HA . 17828 1 319 . 1 1 26 26 VAL HB H 1 2.194 0.010 . 1 . . . A 26 VAL HB . 17828 1 320 . 1 1 26 26 VAL HG11 H 1 0.525 0.010 . 2 . . . A 26 VAL HG11 . 17828 1 321 . 1 1 26 26 VAL HG12 H 1 0.525 0.010 . 2 . . . A 26 VAL HG12 . 17828 1 322 . 1 1 26 26 VAL HG13 H 1 0.525 0.010 . 2 . . . A 26 VAL HG13 . 17828 1 323 . 1 1 26 26 VAL HG21 H 1 0.650 0.010 . 2 . . . A 26 VAL HG21 . 17828 1 324 . 1 1 26 26 VAL HG22 H 1 0.650 0.010 . 2 . . . A 26 VAL HG22 . 17828 1 325 . 1 1 26 26 VAL HG23 H 1 0.650 0.010 . 2 . . . A 26 VAL HG23 . 17828 1 326 . 1 1 26 26 VAL C C 13 173.368 0.200 . 1 . . . A 26 VAL C . 17828 1 327 . 1 1 26 26 VAL CA C 13 58.056 0.200 . 1 . . . A 26 VAL CA . 17828 1 328 . 1 1 26 26 VAL CB C 13 35.815 0.200 . 1 . . . A 26 VAL CB . 17828 1 329 . 1 1 26 26 VAL CG1 C 13 19.280 0.200 . 2 . . . A 26 VAL CG1 . 17828 1 330 . 1 1 26 26 VAL CG2 C 13 22.598 0.200 . 2 . . . A 26 VAL CG2 . 17828 1 331 . 1 1 26 26 VAL N N 15 118.229 0.100 . 1 . . . A 26 VAL N . 17828 1 332 . 1 1 27 27 ARG H H 1 7.222 0.010 . 1 . . . A 27 ARG H . 17828 1 333 . 1 1 27 27 ARG HA H 1 5.149 0.010 . 1 . . . A 27 ARG HA . 17828 1 334 . 1 1 27 27 ARG HB2 H 1 2.053 0.010 . 2 . . . A 27 ARG HB2 . 17828 1 335 . 1 1 27 27 ARG HB3 H 1 1.609 0.010 . 2 . . . A 27 ARG HB3 . 17828 1 336 . 1 1 27 27 ARG HG2 H 1 1.700 0.010 . 1 . . . A 27 ARG HG2 . 17828 1 337 . 1 1 27 27 ARG HG3 H 1 1.700 0.010 . 1 . . . A 27 ARG HG3 . 17828 1 338 . 1 1 27 27 ARG HD2 H 1 3.236 0.010 . 2 . . . A 27 ARG HD2 . 17828 1 339 . 1 1 27 27 ARG HD3 H 1 3.208 0.010 . 2 . . . A 27 ARG HD3 . 17828 1 340 . 1 1 27 27 ARG C C 13 176.077 0.200 . 1 . . . A 27 ARG C . 17828 1 341 . 1 1 27 27 ARG CA C 13 52.857 0.200 . 1 . . . A 27 ARG CA . 17828 1 342 . 1 1 27 27 ARG CB C 13 32.823 0.200 . 1 . . . A 27 ARG CB . 17828 1 343 . 1 1 27 27 ARG CG C 13 27.481 0.200 . 1 . . . A 27 ARG CG . 17828 1 344 . 1 1 27 27 ARG CD C 13 43.620 0.200 . 1 . . . A 27 ARG CD . 17828 1 345 . 1 1 27 27 ARG N N 15 116.527 0.100 . 1 . . . A 27 ARG N . 17828 1 346 . 1 1 28 28 PRO HA H 1 4.151 0.010 . 1 . . . A 28 PRO HA . 17828 1 347 . 1 1 28 28 PRO HB2 H 1 2.579 0.010 . 2 . . . A 28 PRO HB2 . 17828 1 348 . 1 1 28 28 PRO HB3 H 1 2.141 0.010 . 2 . . . A 28 PRO HB3 . 17828 1 349 . 1 1 28 28 PRO HG2 H 1 2.271 0.010 . 2 . . . A 28 PRO HG2 . 17828 1 350 . 1 1 28 28 PRO HG3 H 1 1.852 0.010 . 2 . . . A 28 PRO HG3 . 17828 1 351 . 1 1 28 28 PRO HD2 H 1 3.874 0.010 . 1 . . . A 28 PRO HD2 . 17828 1 352 . 1 1 28 28 PRO HD3 H 1 3.874 0.010 . 1 . . . A 28 PRO HD3 . 17828 1 353 . 1 1 28 28 PRO C C 13 175.257 0.200 . 1 . . . A 28 PRO C . 17828 1 354 . 1 1 28 28 PRO CA C 13 65.025 0.200 . 1 . . . A 28 PRO CA . 17828 1 355 . 1 1 28 28 PRO CB C 13 32.056 0.200 . 1 . . . A 28 PRO CB . 17828 1 356 . 1 1 28 28 PRO CG C 13 28.413 0.200 . 1 . . . A 28 PRO CG . 17828 1 357 . 1 1 28 28 PRO CD C 13 51.076 0.200 . 1 . . . A 28 PRO CD . 17828 1 358 . 1 1 29 29 ASP H H 1 8.088 0.010 . 1 . . . A 29 ASP H . 17828 1 359 . 1 1 29 29 ASP HA H 1 4.553 0.010 . 1 . . . A 29 ASP HA . 17828 1 360 . 1 1 29 29 ASP HB2 H 1 2.865 0.010 . 2 . . . A 29 ASP HB2 . 17828 1 361 . 1 1 29 29 ASP HB3 H 1 2.595 0.010 . 2 . . . A 29 ASP HB3 . 17828 1 362 . 1 1 29 29 ASP C C 13 175.709 0.200 . 1 . . . A 29 ASP C . 17828 1 363 . 1 1 29 29 ASP CA C 13 53.505 0.200 . 1 . . . A 29 ASP CA . 17828 1 364 . 1 1 29 29 ASP CB C 13 39.647 0.200 . 1 . . . A 29 ASP CB . 17828 1 365 . 1 1 29 29 ASP N N 15 111.072 0.100 . 1 . . . A 29 ASP N . 17828 1 366 . 1 1 30 30 MET H H 1 7.624 0.010 . 1 . . . A 30 MET H . 17828 1 367 . 1 1 30 30 MET HA H 1 4.382 0.010 . 1 . . . A 30 MET HA . 17828 1 368 . 1 1 30 30 MET HB2 H 1 2.211 0.010 . 2 . . . A 30 MET HB2 . 17828 1 369 . 1 1 30 30 MET HB3 H 1 2.086 0.010 . 2 . . . A 30 MET HB3 . 17828 1 370 . 1 1 30 30 MET HG2 H 1 2.913 0.010 . 2 . . . A 30 MET HG2 . 17828 1 371 . 1 1 30 30 MET HG3 H 1 2.504 0.010 . 2 . . . A 30 MET HG3 . 17828 1 372 . 1 1 30 30 MET HE1 H 1 2.123 0.010 . 1 . . . A 30 MET HE1 . 17828 1 373 . 1 1 30 30 MET HE2 H 1 2.123 0.010 . 1 . . . A 30 MET HE2 . 17828 1 374 . 1 1 30 30 MET HE3 H 1 2.123 0.010 . 1 . . . A 30 MET HE3 . 17828 1 375 . 1 1 30 30 MET C C 13 175.622 0.200 . 1 . . . A 30 MET C . 17828 1 376 . 1 1 30 30 MET CA C 13 56.377 0.200 . 1 . . . A 30 MET CA . 17828 1 377 . 1 1 30 30 MET CB C 13 34.624 0.200 . 1 . . . A 30 MET CB . 17828 1 378 . 1 1 30 30 MET CG C 13 31.849 0.200 . 1 . . . A 30 MET CG . 17828 1 379 . 1 1 30 30 MET CE C 13 16.499 0.200 . 1 . . . A 30 MET CE . 17828 1 380 . 1 1 30 30 MET N N 15 120.062 0.100 . 1 . . . A 30 MET N . 17828 1 381 . 1 1 31 31 THR H H 1 8.215 0.010 . 1 . . . A 31 THR H . 17828 1 382 . 1 1 31 31 THR HA H 1 4.786 0.010 . 1 . . . A 31 THR HA . 17828 1 383 . 1 1 31 31 THR HB H 1 4.851 0.010 . 1 . . . A 31 THR HB . 17828 1 384 . 1 1 31 31 THR HG21 H 1 1.228 0.010 . 1 . . . A 31 THR HG21 . 17828 1 385 . 1 1 31 31 THR HG22 H 1 1.228 0.010 . 1 . . . A 31 THR HG22 . 17828 1 386 . 1 1 31 31 THR HG23 H 1 1.228 0.010 . 1 . . . A 31 THR HG23 . 17828 1 387 . 1 1 31 31 THR C C 13 176.588 0.200 . 1 . . . A 31 THR C . 17828 1 388 . 1 1 31 31 THR CA C 13 59.943 0.200 . 1 . . . A 31 THR CA . 17828 1 389 . 1 1 31 31 THR CB C 13 70.983 0.200 . 1 . . . A 31 THR CB . 17828 1 390 . 1 1 31 31 THR CG2 C 13 21.658 0.200 . 1 . . . A 31 THR CG2 . 17828 1 391 . 1 1 31 31 THR N N 15 111.012 0.100 . 1 . . . A 31 THR N . 17828 1 392 . 1 1 32 32 VAL H H 1 8.297 0.010 . 1 . . . A 32 VAL H . 17828 1 393 . 1 1 32 32 VAL HA H 1 3.225 0.010 . 1 . . . A 32 VAL HA . 17828 1 394 . 1 1 32 32 VAL HB H 1 2.342 0.010 . 1 . . . A 32 VAL HB . 17828 1 395 . 1 1 32 32 VAL HG11 H 1 0.557 0.010 . 2 . . . A 32 VAL HG11 . 17828 1 396 . 1 1 32 32 VAL HG12 H 1 0.557 0.010 . 2 . . . A 32 VAL HG12 . 17828 1 397 . 1 1 32 32 VAL HG13 H 1 0.557 0.010 . 2 . . . A 32 VAL HG13 . 17828 1 398 . 1 1 32 32 VAL HG21 H 1 0.560 0.010 . 2 . . . A 32 VAL HG21 . 17828 1 399 . 1 1 32 32 VAL HG22 H 1 0.560 0.010 . 2 . . . A 32 VAL HG22 . 17828 1 400 . 1 1 32 32 VAL HG23 H 1 0.560 0.010 . 2 . . . A 32 VAL HG23 . 17828 1 401 . 1 1 32 32 VAL C C 13 177.968 0.200 . 1 . . . A 32 VAL C . 17828 1 402 . 1 1 32 32 VAL CA C 13 65.999 0.200 . 1 . . . A 32 VAL CA . 17828 1 403 . 1 1 32 32 VAL CB C 13 30.713 0.200 . 1 . . . A 32 VAL CB . 17828 1 404 . 1 1 32 32 VAL CG1 C 13 20.280 0.200 . 2 . . . A 32 VAL CG1 . 17828 1 405 . 1 1 32 32 VAL CG2 C 13 23.728 0.200 . 2 . . . A 32 VAL CG2 . 17828 1 406 . 1 1 32 32 VAL N N 15 123.255 0.100 . 1 . . . A 32 VAL N . 17828 1 407 . 1 1 33 33 ALA H H 1 9.131 0.010 . 1 . . . A 33 ALA H . 17828 1 408 . 1 1 33 33 ALA HA H 1 3.882 0.010 . 1 . . . A 33 ALA HA . 17828 1 409 . 1 1 33 33 ALA HB1 H 1 1.389 0.010 . 1 . . . A 33 ALA HB1 . 17828 1 410 . 1 1 33 33 ALA HB2 H 1 1.389 0.010 . 1 . . . A 33 ALA HB2 . 17828 1 411 . 1 1 33 33 ALA HB3 H 1 1.389 0.010 . 1 . . . A 33 ALA HB3 . 17828 1 412 . 1 1 33 33 ALA C C 13 180.224 0.200 . 1 . . . A 33 ALA C . 17828 1 413 . 1 1 33 33 ALA CA C 13 56.008 0.200 . 1 . . . A 33 ALA CA . 17828 1 414 . 1 1 33 33 ALA CB C 13 18.111 0.200 . 1 . . . A 33 ALA CB . 17828 1 415 . 1 1 33 33 ALA N N 15 122.978 0.100 . 1 . . . A 33 ALA N . 17828 1 416 . 1 1 34 34 SER H H 1 7.871 0.010 . 1 . . . A 34 SER H . 17828 1 417 . 1 1 34 34 SER HA H 1 4.293 0.010 . 1 . . . A 34 SER HA . 17828 1 418 . 1 1 34 34 SER HB2 H 1 3.961 0.010 . 1 . . . A 34 SER HB2 . 17828 1 419 . 1 1 34 34 SER HB3 H 1 3.961 0.010 . 1 . . . A 34 SER HB3 . 17828 1 420 . 1 1 34 34 SER C C 13 177.116 0.200 . 1 . . . A 34 SER C . 17828 1 421 . 1 1 34 34 SER CA C 13 62.234 0.200 . 1 . . . A 34 SER CA . 17828 1 422 . 1 1 34 34 SER CB C 13 63.411 0.200 . 1 . . . A 34 SER CB . 17828 1 423 . 1 1 34 34 SER N N 15 115.295 0.100 . 1 . . . A 34 SER N . 17828 1 424 . 1 1 35 35 LEU H H 1 8.162 0.010 . 1 . . . A 35 LEU H . 17828 1 425 . 1 1 35 35 LEU HA H 1 3.993 0.010 . 1 . . . A 35 LEU HA . 17828 1 426 . 1 1 35 35 LEU HB2 H 1 1.910 0.010 . 2 . . . A 35 LEU HB2 . 17828 1 427 . 1 1 35 35 LEU HB3 H 1 1.004 0.010 . 2 . . . A 35 LEU HB3 . 17828 1 428 . 1 1 35 35 LEU HG H 1 0.823 0.010 . 1 . . . A 35 LEU HG . 17828 1 429 . 1 1 35 35 LEU HD11 H 1 0.522 0.010 . 2 . . . A 35 LEU HD11 . 17828 1 430 . 1 1 35 35 LEU HD12 H 1 0.522 0.010 . 2 . . . A 35 LEU HD12 . 17828 1 431 . 1 1 35 35 LEU HD13 H 1 0.522 0.010 . 2 . . . A 35 LEU HD13 . 17828 1 432 . 1 1 35 35 LEU HD21 H 1 -0.711 0.010 . 2 . . . A 35 LEU HD21 . 17828 1 433 . 1 1 35 35 LEU HD22 H 1 -0.711 0.010 . 2 . . . A 35 LEU HD22 . 17828 1 434 . 1 1 35 35 LEU HD23 H 1 -0.711 0.010 . 2 . . . A 35 LEU HD23 . 17828 1 435 . 1 1 35 35 LEU C C 13 177.717 0.200 . 1 . . . A 35 LEU C . 17828 1 436 . 1 1 35 35 LEU CA C 13 58.471 0.200 . 1 . . . A 35 LEU CA . 17828 1 437 . 1 1 35 35 LEU CB C 13 42.070 0.200 . 1 . . . A 35 LEU CB . 17828 1 438 . 1 1 35 35 LEU CG C 13 26.943 0.200 . 1 . . . A 35 LEU CG . 17828 1 439 . 1 1 35 35 LEU CD1 C 13 23.658 0.200 . 2 . . . A 35 LEU CD1 . 17828 1 440 . 1 1 35 35 LEU CD2 C 13 24.044 0.200 . 2 . . . A 35 LEU CD2 . 17828 1 441 . 1 1 35 35 LEU N N 15 128.157 0.100 . 1 . . . A 35 LEU N . 17828 1 442 . 1 1 36 36 LYS H H 1 8.632 0.010 . 1 . . . A 36 LYS H . 17828 1 443 . 1 1 36 36 LYS HA H 1 5.033 0.010 . 1 . . . A 36 LYS HA . 17828 1 444 . 1 1 36 36 LYS HB2 H 1 1.770 0.010 . 2 . . . A 36 LYS HB2 . 17828 1 445 . 1 1 36 36 LYS HB3 H 1 1.739 0.010 . 2 . . . A 36 LYS HB3 . 17828 1 446 . 1 1 36 36 LYS HG2 H 1 1.713 0.010 . 1 . . . A 36 LYS HG2 . 17828 1 447 . 1 1 36 36 LYS HG3 H 1 1.713 0.010 . 1 . . . A 36 LYS HG3 . 17828 1 448 . 1 1 36 36 LYS HD2 H 1 1.592 0.010 . 2 . . . A 36 LYS HD2 . 17828 1 449 . 1 1 36 36 LYS HD3 H 1 1.562 0.010 . 2 . . . A 36 LYS HD3 . 17828 1 450 . 1 1 36 36 LYS HE2 H 1 2.898 0.010 . 2 . . . A 36 LYS HE2 . 17828 1 451 . 1 1 36 36 LYS HE3 H 1 2.828 0.010 . 2 . . . A 36 LYS HE3 . 17828 1 452 . 1 1 36 36 LYS C C 13 181.061 0.200 . 1 . . . A 36 LYS C . 17828 1 453 . 1 1 36 36 LYS CA C 13 58.738 0.200 . 1 . . . A 36 LYS CA . 17828 1 454 . 1 1 36 36 LYS CB C 13 34.115 0.200 . 1 . . . A 36 LYS CB . 17828 1 455 . 1 1 36 36 LYS CG C 13 26.941 0.200 . 1 . . . A 36 LYS CG . 17828 1 456 . 1 1 36 36 LYS CD C 13 31.033 0.200 . 1 . . . A 36 LYS CD . 17828 1 457 . 1 1 36 36 LYS CE C 13 43.578 0.200 . 1 . . . A 36 LYS CE . 17828 1 458 . 1 1 36 36 LYS N N 15 117.875 0.100 . 1 . . . A 36 LYS N . 17828 1 459 . 1 1 37 37 ASP H H 1 7.717 0.010 . 1 . . . A 37 ASP H . 17828 1 460 . 1 1 37 37 ASP HA H 1 4.648 0.010 . 1 . . . A 37 ASP HA . 17828 1 461 . 1 1 37 37 ASP HB2 H 1 2.796 0.010 . 1 . . . A 37 ASP HB2 . 17828 1 462 . 1 1 37 37 ASP HB3 H 1 2.796 0.010 . 1 . . . A 37 ASP HB3 . 17828 1 463 . 1 1 37 37 ASP C C 13 178.132 0.200 . 1 . . . A 37 ASP C . 17828 1 464 . 1 1 37 37 ASP CA C 13 57.836 0.200 . 1 . . . A 37 ASP CA . 17828 1 465 . 1 1 37 37 ASP CB C 13 40.913 0.200 . 1 . . . A 37 ASP CB . 17828 1 466 . 1 1 37 37 ASP N N 15 119.795 0.100 . 1 . . . A 37 ASP N . 17828 1 467 . 1 1 38 38 MET H H 1 8.140 0.010 . 1 . . . A 38 MET H . 17828 1 468 . 1 1 38 38 MET HA H 1 4.155 0.010 . 1 . . . A 38 MET HA . 17828 1 469 . 1 1 38 38 MET HB2 H 1 2.440 0.010 . 2 . . . A 38 MET HB2 . 17828 1 470 . 1 1 38 38 MET HB3 H 1 2.308 0.010 . 2 . . . A 38 MET HB3 . 17828 1 471 . 1 1 38 38 MET HG2 H 1 2.745 0.010 . 2 . . . A 38 MET HG2 . 17828 1 472 . 1 1 38 38 MET HG3 H 1 2.470 0.010 . 2 . . . A 38 MET HG3 . 17828 1 473 . 1 1 38 38 MET HE1 H 1 2.219 0.010 . 1 . . . A 38 MET HE1 . 17828 1 474 . 1 1 38 38 MET HE2 H 1 2.219 0.010 . 1 . . . A 38 MET HE1 . 17828 1 475 . 1 1 38 38 MET HE3 H 1 2.219 0.010 . 1 . . . A 38 MET HE3 . 17828 1 476 . 1 1 38 38 MET C C 13 178.173 0.200 . 1 . . . A 38 MET C . 17828 1 477 . 1 1 38 38 MET CA C 13 59.353 0.200 . 1 . . . A 38 MET CA . 17828 1 478 . 1 1 38 38 MET CB C 13 33.482 0.200 . 1 . . . A 38 MET CB . 17828 1 479 . 1 1 38 38 MET CG C 13 31.495 0.200 . 1 . . . A 38 MET CG . 17828 1 480 . 1 1 38 38 MET CE C 13 17.758 0.200 . 1 . . . A 38 MET CE . 17828 1 481 . 1 1 38 38 MET N N 15 121.795 0.100 . 1 . . . A 38 MET N . 17828 1 482 . 1 1 39 39 VAL H H 1 8.572 0.010 . 1 . . . A 39 VAL H . 17828 1 483 . 1 1 39 39 VAL HA H 1 4.004 0.010 . 1 . . . A 39 VAL HA . 17828 1 484 . 1 1 39 39 VAL HB H 1 2.648 0.010 . 1 . . . A 39 VAL HB . 17828 1 485 . 1 1 39 39 VAL HG11 H 1 1.218 0.010 . 2 . . . A 39 VAL HG11 . 17828 1 486 . 1 1 39 39 VAL HG12 H 1 1.218 0.010 . 2 . . . A 39 VAL HG12 . 17828 1 487 . 1 1 39 39 VAL HG13 H 1 1.218 0.010 . 2 . . . A 39 VAL HG13 . 17828 1 488 . 1 1 39 39 VAL HG21 H 1 1.427 0.010 . 2 . . . A 39 VAL HG21 . 17828 1 489 . 1 1 39 39 VAL HG22 H 1 1.427 0.010 . 2 . . . A 39 VAL HG22 . 17828 1 490 . 1 1 39 39 VAL HG23 H 1 1.427 0.010 . 2 . . . A 39 VAL HG23 . 17828 1 491 . 1 1 39 39 VAL C C 13 178.553 0.200 . 1 . . . A 39 VAL C . 17828 1 492 . 1 1 39 39 VAL CA C 13 66.942 0.200 . 1 . . . A 39 VAL CA . 17828 1 493 . 1 1 39 39 VAL CB C 13 31.586 0.200 . 1 . . . A 39 VAL CB . 17828 1 494 . 1 1 39 39 VAL CG1 C 13 22.758 0.200 . 2 . . . A 39 VAL CG1 . 17828 1 495 . 1 1 39 39 VAL CG2 C 13 25.523 0.200 . 2 . . . A 39 VAL CG2 . 17828 1 496 . 1 1 39 39 VAL N N 15 117.909 0.100 . 1 . . . A 39 VAL N . 17828 1 497 . 1 1 40 40 PHE H H 1 8.707 0.010 . 1 . . . A 40 PHE H . 17828 1 498 . 1 1 40 40 PHE HA H 1 4.557 0.010 . 1 . . . A 40 PHE HA . 17828 1 499 . 1 1 40 40 PHE HB2 H 1 3.477 0.010 . 2 . . . A 40 PHE HB2 . 17828 1 500 . 1 1 40 40 PHE HB3 H 1 3.441 0.010 . 2 . . . A 40 PHE HB3 . 17828 1 501 . 1 1 40 40 PHE HD1 H 1 7.133 0.010 . 3 . . . A 40 PHE HD1 . 17828 1 502 . 1 1 40 40 PHE HD2 H 1 7.133 0.010 . 3 . . . A 40 PHE HD2 . 17828 1 503 . 1 1 40 40 PHE HE1 H 1 7.324 0.010 . 3 . . . A 40 PHE HE1 . 17828 1 504 . 1 1 40 40 PHE HE2 H 1 7.324 0.010 . 3 . . . A 40 PHE HE2 . 17828 1 505 . 1 1 40 40 PHE HZ H 1 7.293 0.010 . 1 . . . A 40 PHE HZ . 17828 1 506 . 1 1 40 40 PHE C C 13 178.491 0.200 . 1 . . . A 40 PHE C . 17828 1 507 . 1 1 40 40 PHE CA C 13 60.294 0.200 . 1 . . . A 40 PHE CA . 17828 1 508 . 1 1 40 40 PHE CB C 13 38.633 0.200 . 1 . . . A 40 PHE CB . 17828 1 509 . 1 1 40 40 PHE CD1 C 13 131.505 0.200 . 3 . . . A 40 PHE CD1 . 17828 1 510 . 1 1 40 40 PHE CD2 C 13 131.505 0.200 . 3 . . . A 40 PHE CD2 . 17828 1 511 . 1 1 40 40 PHE CE1 C 13 131.077 0.200 . 3 . . . A 40 PHE CE1 . 17828 1 512 . 1 1 40 40 PHE CE2 C 13 131.077 0.200 . 3 . . . A 40 PHE CE2 . 17828 1 513 . 1 1 40 40 PHE CZ C 13 130.156 0.200 . 1 . . . A 40 PHE CZ . 17828 1 514 . 1 1 40 40 PHE N N 15 123.823 0.100 . 1 . . . A 40 PHE N . 17828 1 515 . 1 1 41 41 LEU H H 1 8.159 0.010 . 1 . . . A 41 LEU H . 17828 1 516 . 1 1 41 41 LEU HA H 1 3.604 0.010 . 1 . . . A 41 LEU HA . 17828 1 517 . 1 1 41 41 LEU HB2 H 1 1.807 0.010 . 2 . . . A 41 LEU HB2 . 17828 1 518 . 1 1 41 41 LEU HB3 H 1 1.583 0.010 . 2 . . . A 41 LEU HB3 . 17828 1 519 . 1 1 41 41 LEU HG H 1 1.791 0.010 . 1 . . . A 41 LEU HG . 17828 1 520 . 1 1 41 41 LEU HD11 H 1 0.881 0.010 . 2 . . . A 41 LEU HD11 . 17828 1 521 . 1 1 41 41 LEU HD12 H 1 0.881 0.010 . 2 . . . A 41 LEU HD12 . 17828 1 522 . 1 1 41 41 LEU HD13 H 1 0.881 0.010 . 2 . . . A 41 LEU HD13 . 17828 1 523 . 1 1 41 41 LEU HD21 H 1 0.824 0.010 . 2 . . . A 41 LEU HD21 . 17828 1 524 . 1 1 41 41 LEU HD22 H 1 0.824 0.010 . 2 . . . A 41 LEU HD22 . 17828 1 525 . 1 1 41 41 LEU HD23 H 1 0.824 0.010 . 2 . . . A 41 LEU HD23 . 17828 1 526 . 1 1 41 41 LEU C C 13 178.955 0.200 . 1 . . . A 41 LEU C . 17828 1 527 . 1 1 41 41 LEU CA C 13 58.016 0.200 . 1 . . . A 41 LEU CA . 17828 1 528 . 1 1 41 41 LEU CB C 13 41.634 0.200 . 1 . . . A 41 LEU CB . 17828 1 529 . 1 1 41 41 LEU CG C 13 26.960 0.200 . 1 . . . A 41 LEU CG . 17828 1 530 . 1 1 41 41 LEU CD1 C 13 24.862 0.200 . 2 . . . A 41 LEU CD1 . 17828 1 531 . 1 1 41 41 LEU CD2 C 13 23.392 0.200 . 2 . . . A 41 LEU CD2 . 17828 1 532 . 1 1 41 41 LEU N N 15 121.596 0.100 . 1 . . . A 41 LEU N . 17828 1 533 . 1 1 42 42 ASP H H 1 8.026 0.010 . 1 . . . A 42 ASP H . 17828 1 534 . 1 1 42 42 ASP HA H 1 4.382 0.010 . 1 . . . A 42 ASP HA . 17828 1 535 . 1 1 42 42 ASP HB2 H 1 2.430 0.010 . 2 . . . A 42 ASP HB2 . 17828 1 536 . 1 1 42 42 ASP HB3 H 1 1.952 0.010 . 2 . . . A 42 ASP HB3 . 17828 1 537 . 1 1 42 42 ASP C C 13 177.471 0.200 . 1 . . . A 42 ASP C . 17828 1 538 . 1 1 42 42 ASP CA C 13 56.430 0.200 . 1 . . . A 42 ASP CA . 17828 1 539 . 1 1 42 42 ASP CB C 13 41.607 0.200 . 1 . . . A 42 ASP CB . 17828 1 540 . 1 1 42 42 ASP N N 15 116.260 0.100 . 1 . . . A 42 ASP N . 17828 1 541 . 1 1 43 43 TYR H H 1 8.282 0.010 . 1 . . . A 43 TYR H . 17828 1 542 . 1 1 43 43 TYR HA H 1 4.225 0.010 . 1 . . . A 43 TYR HA . 17828 1 543 . 1 1 43 43 TYR HB2 H 1 2.106 0.010 . 1 . . . A 43 TYR HB2 . 17828 1 544 . 1 1 43 43 TYR HB3 H 1 2.106 0.010 . 1 . . . A 43 TYR HB3 . 17828 1 545 . 1 1 43 43 TYR HD1 H 1 7.025 0.010 . 3 . . . A 43 TYR HD1 . 17828 1 546 . 1 1 43 43 TYR HD2 H 1 7.025 0.010 . 3 . . . A 43 TYR HD2 . 17828 1 547 . 1 1 43 43 TYR HE1 H 1 6.798 0.010 . 3 . . . A 43 TYR HE1 . 17828 1 548 . 1 1 43 43 TYR HE2 H 1 6.798 0.010 . 3 . . . A 43 TYR HE2 . 17828 1 549 . 1 1 43 43 TYR C C 13 176.379 0.200 . 1 . . . A 43 TYR C . 17828 1 550 . 1 1 43 43 TYR CA C 13 58.827 0.200 . 1 . . . A 43 TYR CA . 17828 1 551 . 1 1 43 43 TYR CB C 13 39.759 0.200 . 1 . . . A 43 TYR CB . 17828 1 552 . 1 1 43 43 TYR CD1 C 13 132.657 0.200 . 3 . . . A 43 TYR CD1 . 17828 1 553 . 1 1 43 43 TYR CD2 C 13 132.657 0.200 . 3 . . . A 43 TYR CD2 . 17828 1 554 . 1 1 43 43 TYR CE1 C 13 118.017 0.200 . 3 . . . A 43 TYR CE1 . 17828 1 555 . 1 1 43 43 TYR CE2 C 13 118.017 0.200 . 3 . . . A 43 TYR CE2 . 17828 1 556 . 1 1 43 43 TYR N N 15 114.787 0.100 . 1 . . . A 43 TYR N . 17828 1 557 . 1 1 44 44 GLY H H 1 7.826 0.010 . 1 . . . A 44 GLY H . 17828 1 558 . 1 1 44 44 GLY HA2 H 1 3.999 0.010 . 2 . . . A 44 GLY HA2 . 17828 1 559 . 1 1 44 44 GLY HA3 H 1 3.689 0.010 . 2 . . . A 44 GLY HA3 . 17828 1 560 . 1 1 44 44 GLY C C 13 174.338 0.200 . 1 . . . A 44 GLY C . 17828 1 561 . 1 1 44 44 GLY CA C 13 45.762 0.200 . 1 . . . A 44 GLY CA . 17828 1 562 . 1 1 44 44 GLY N N 15 107.866 0.100 . 1 . . . A 44 GLY N . 17828 1 563 . 1 1 45 45 PHE H H 1 6.212 0.010 . 1 . . . A 45 PHE H . 17828 1 564 . 1 1 45 45 PHE HA H 1 5.388 0.010 . 1 . . . A 45 PHE HA . 17828 1 565 . 1 1 45 45 PHE HB2 H 1 2.998 0.010 . 2 . . . A 45 PHE HB2 . 17828 1 566 . 1 1 45 45 PHE HB3 H 1 2.899 0.010 . 2 . . . A 45 PHE HB3 . 17828 1 567 . 1 1 45 45 PHE HD1 H 1 6.962 0.010 . 3 . . . A 45 PHE HD1 . 17828 1 568 . 1 1 45 45 PHE HD2 H 1 6.962 0.010 . 3 . . . A 45 PHE HD2 . 17828 1 569 . 1 1 45 45 PHE HE1 H 1 7.035 0.010 . 3 . . . A 45 PHE HE1 . 17828 1 570 . 1 1 45 45 PHE HE2 H 1 7.035 0.010 . 3 . . . A 45 PHE HE2 . 17828 1 571 . 1 1 45 45 PHE HZ H 1 7.173 0.010 . 1 . . . A 45 PHE HZ . 17828 1 572 . 1 1 45 45 PHE C C 13 172.635 0.200 . 1 . . . A 45 PHE C . 17828 1 573 . 1 1 45 45 PHE CA C 13 51.988 0.200 . 1 . . . A 45 PHE CA . 17828 1 574 . 1 1 45 45 PHE CB C 13 37.800 0.200 . 1 . . . A 45 PHE CB . 17828 1 575 . 1 1 45 45 PHE CD1 C 13 130.859 0.200 . 3 . . . A 45 PHE CD1 . 17828 1 576 . 1 1 45 45 PHE CD2 C 13 130.859 0.200 . 3 . . . A 45 PHE CD2 . 17828 1 577 . 1 1 45 45 PHE CE1 C 13 131.465 0.200 . 3 . . . A 45 PHE CE1 . 17828 1 578 . 1 1 45 45 PHE CE2 C 13 131.465 0.200 . 3 . . . A 45 PHE CE2 . 17828 1 579 . 1 1 45 45 PHE CZ C 13 129.839 0.200 . 1 . . . A 45 PHE CZ . 17828 1 580 . 1 1 45 45 PHE N N 15 119.343 0.100 . 1 . . . A 45 PHE N . 17828 1 581 . 1 1 46 46 PRO HA H 1 4.212 0.010 . 1 . . . A 46 PRO HA . 17828 1 582 . 1 1 46 46 PRO HB2 H 1 2.430 0.010 . 1 . . . A 46 PRO HB2 . 17828 1 583 . 1 1 46 46 PRO HB3 H 1 2.430 0.010 . 1 . . . A 46 PRO HB3 . 17828 1 584 . 1 1 46 46 PRO HG2 H 1 2.115 0.010 . 2 . . . A 46 PRO HG2 . 17828 1 585 . 1 1 46 46 PRO HG3 H 1 2.229 0.010 . 2 . . . A 46 PRO HG3 . 17828 1 586 . 1 1 46 46 PRO HD2 H 1 3.742 0.010 . 2 . . . A 46 PRO HD2 . 17828 1 587 . 1 1 46 46 PRO HD3 H 1 3.730 0.010 . 2 . . . A 46 PRO HD3 . 17828 1 588 . 1 1 46 46 PRO CG C 13 28.212 0.200 . 1 . . . A 46 PRO CG . 17828 1 589 . 1 1 46 46 PRO CD C 13 51.225 0.200 . 1 . . . A 46 PRO CD . 17828 1 590 . 1 1 47 47 PRO HA H 1 4.176 0.010 . 1 . . . A 47 PRO HA . 17828 1 591 . 1 1 47 47 PRO HB2 H 1 2.348 0.010 . 1 . . . A 47 PRO HB2 . 17828 1 592 . 1 1 47 47 PRO HB3 H 1 2.348 0.010 . 1 . . . A 47 PRO HB3 . 17828 1 593 . 1 1 47 47 PRO HG2 H 1 1.712 0.010 . 1 . . . A 47 PRO HG2 . 17828 1 594 . 1 1 47 47 PRO HG3 H 1 1.712 0.010 . 1 . . . A 47 PRO HG3 . 17828 1 595 . 1 1 47 47 PRO HD2 H 1 3.395 0.010 . 2 . . . A 47 PRO HD2 . 17828 1 596 . 1 1 47 47 PRO HD3 H 1 3.359 0.010 . 2 . . . A 47 PRO HD3 . 17828 1 597 . 1 1 47 47 PRO C C 13 178.700 0.200 . 1 . . . A 47 PRO C . 17828 1 598 . 1 1 47 47 PRO CA C 13 66.726 0.200 . 1 . . . A 47 PRO CA . 17828 1 599 . 1 1 47 47 PRO CB C 13 32.743 0.200 . 1 . . . A 47 PRO CB . 17828 1 600 . 1 1 47 47 PRO CG C 13 27.641 0.200 . 1 . . . A 47 PRO CG . 17828 1 601 . 1 1 47 47 PRO CD C 13 50.440 0.200 . 1 . . . A 47 PRO CD . 17828 1 602 . 1 1 48 48 VAL H H 1 7.862 0.010 . 1 . . . A 48 VAL H . 17828 1 603 . 1 1 48 48 VAL HA H 1 4.082 0.010 . 1 . . . A 48 VAL HA . 17828 1 604 . 1 1 48 48 VAL HB H 1 2.214 0.010 . 1 . . . A 48 VAL HB . 17828 1 605 . 1 1 48 48 VAL HG11 H 1 0.977 0.010 . 2 . . . A 48 VAL HG11 . 17828 1 606 . 1 1 48 48 VAL HG12 H 1 0.977 0.010 . 2 . . . A 48 VAL HG12 . 17828 1 607 . 1 1 48 48 VAL HG13 H 1 0.977 0.010 . 2 . . . A 48 VAL HG13 . 17828 1 608 . 1 1 48 48 VAL HG21 H 1 0.920 0.010 . 2 . . . A 48 VAL HG21 . 17828 1 609 . 1 1 48 48 VAL HG22 H 1 0.920 0.010 . 2 . . . A 48 VAL HG22 . 17828 1 610 . 1 1 48 48 VAL HG23 H 1 0.920 0.010 . 2 . . . A 48 VAL HG23 . 17828 1 611 . 1 1 48 48 VAL C C 13 175.948 0.200 . 1 . . . A 48 VAL C . 17828 1 612 . 1 1 48 48 VAL CA C 13 63.796 0.200 . 1 . . . A 48 VAL CA . 17828 1 613 . 1 1 48 48 VAL CB C 13 31.501 0.200 . 1 . . . A 48 VAL CB . 17828 1 614 . 1 1 48 48 VAL CG1 C 13 20.785 0.200 . 2 . . . A 48 VAL CG1 . 17828 1 615 . 1 1 48 48 VAL CG2 C 13 20.448 0.200 . 2 . . . A 48 VAL CG2 . 17828 1 616 . 1 1 48 48 VAL N N 15 111.371 0.100 . 1 . . . A 48 VAL N . 17828 1 617 . 1 1 49 49 LEU H H 1 7.648 0.010 . 1 . . . A 49 LEU H . 17828 1 618 . 1 1 49 49 LEU HA H 1 4.517 0.010 . 1 . . . A 49 LEU HA . 17828 1 619 . 1 1 49 49 LEU HB2 H 1 1.964 0.010 . 2 . . . A 49 LEU HB2 . 17828 1 620 . 1 1 49 49 LEU HB3 H 1 1.650 0.010 . 2 . . . A 49 LEU HB3 . 17828 1 621 . 1 1 49 49 LEU HG H 1 1.565 0.010 . 1 . . . A 49 LEU HG . 17828 1 622 . 1 1 49 49 LEU HD11 H 1 0.979 0.010 . 2 . . . A 49 LEU HD11 . 17828 1 623 . 1 1 49 49 LEU HD12 H 1 0.979 0.010 . 2 . . . A 49 LEU HD12 . 17828 1 624 . 1 1 49 49 LEU HD13 H 1 0.979 0.010 . 2 . . . A 49 LEU HD13 . 17828 1 625 . 1 1 49 49 LEU HD21 H 1 0.693 0.010 . 2 . . . A 49 LEU HD21 . 17828 1 626 . 1 1 49 49 LEU HD22 H 1 0.693 0.010 . 2 . . . A 49 LEU HD22 . 17828 1 627 . 1 1 49 49 LEU HD23 H 1 0.693 0.010 . 2 . . . A 49 LEU HD23 . 17828 1 628 . 1 1 49 49 LEU C C 13 175.490 0.200 . 1 . . . A 49 LEU C . 17828 1 629 . 1 1 49 49 LEU CA C 13 53.901 0.200 . 1 . . . A 49 LEU CA . 17828 1 630 . 1 1 49 49 LEU CB C 13 40.992 0.200 . 1 . . . A 49 LEU CB . 17828 1 631 . 1 1 49 49 LEU CG C 13 27.028 0.200 . 1 . . . A 49 LEU CG . 17828 1 632 . 1 1 49 49 LEU CD1 C 13 25.233 0.200 . 2 . . . A 49 LEU CD1 . 17828 1 633 . 1 1 49 49 LEU CD2 C 13 21.688 0.200 . 2 . . . A 49 LEU CD2 . 17828 1 634 . 1 1 49 49 LEU N N 15 117.787 0.100 . 1 . . . A 49 LEU N . 17828 1 635 . 1 1 50 50 GLN H H 1 7.376 0.010 . 1 . . . A 50 GLN H . 17828 1 636 . 1 1 50 50 GLN HA H 1 4.170 0.010 . 1 . . . A 50 GLN HA . 17828 1 637 . 1 1 50 50 GLN CA C 13 56.010 0.200 . 1 . . . A 50 GLN CA . 17828 1 638 . 1 1 50 50 GLN CB C 13 31.370 0.200 . 1 . . . A 50 GLN CB . 17828 1 639 . 1 1 50 50 GLN N N 15 117.064 0.100 . 1 . . . A 50 GLN N . 17828 1 640 . 1 1 51 51 GLN HB2 H 1 1.961 0.010 . 1 . . . A 51 GLN HB2 . 17828 1 641 . 1 1 51 51 GLN HB3 H 1 1.961 0.010 . 1 . . . A 51 GLN HB3 . 17828 1 642 . 1 1 52 52 TRP HA H 1 4.353 0.010 . 1 . . . A 52 TRP HA . 17828 1 643 . 1 1 52 52 TRP HB2 H 1 3.311 0.010 . 2 . . . A 52 TRP HB2 . 17828 1 644 . 1 1 52 52 TRP HB3 H 1 3.221 0.010 . 2 . . . A 52 TRP HB3 . 17828 1 645 . 1 1 52 52 TRP HD1 H 1 6.852 0.010 . 1 . . . A 52 TRP HD1 . 17828 1 646 . 1 1 52 52 TRP HE3 H 1 7.135 0.010 . 1 . . . A 52 TRP HE3 . 17828 1 647 . 1 1 52 52 TRP HZ2 H 1 7.262 0.010 . 1 . . . A 52 TRP HZ2 . 17828 1 648 . 1 1 52 52 TRP HZ3 H 1 6.633 0.010 . 1 . . . A 52 TRP HZ3 . 17828 1 649 . 1 1 52 52 TRP HH2 H 1 6.745 0.010 . 1 . . . A 52 TRP HH2 . 17828 1 650 . 1 1 52 52 TRP C C 13 174.868 0.200 . 1 . . . A 52 TRP C . 17828 1 651 . 1 1 52 52 TRP CA C 13 56.727 0.200 . 1 . . . A 52 TRP CA . 17828 1 652 . 1 1 52 52 TRP CB C 13 28.934 0.200 . 1 . . . A 52 TRP CB . 17828 1 653 . 1 1 52 52 TRP CD1 C 13 124.538 0.200 . 1 . . . A 52 TRP CD1 . 17828 1 654 . 1 1 52 52 TRP CE3 C 13 119.148 0.400 . 1 . . . A 52 TRP CE3 . 17828 1 655 . 1 1 52 52 TRP CZ2 C 13 114.848 0.400 . 1 . . . A 52 TRP CZ2 . 17828 1 656 . 1 1 52 52 TRP CZ3 C 13 121.088 0.200 . 1 . . . A 52 TRP CZ3 . 17828 1 657 . 1 1 52 52 TRP CH2 C 13 122.582 0.400 . 1 . . . A 52 TRP CH2 . 17828 1 658 . 1 1 53 53 VAL H H 1 8.525 0.010 . 1 . . . A 53 VAL H . 17828 1 659 . 1 1 53 53 VAL HA H 1 3.677 0.010 . 1 . . . A 53 VAL HA . 17828 1 660 . 1 1 53 53 VAL HB H 1 2.226 0.010 . 1 . . . A 53 VAL HB . 17828 1 661 . 1 1 53 53 VAL HG11 H 1 0.692 0.010 . 2 . . . A 53 VAL HG11 . 17828 1 662 . 1 1 53 53 VAL HG12 H 1 0.692 0.010 . 2 . . . A 53 VAL HG12 . 17828 1 663 . 1 1 53 53 VAL HG13 H 1 0.692 0.010 . 2 . . . A 53 VAL HG13 . 17828 1 664 . 1 1 53 53 VAL HG21 H 1 0.820 0.010 . 2 . . . A 53 VAL HG21 . 17828 1 665 . 1 1 53 53 VAL HG22 H 1 0.820 0.010 . 2 . . . A 53 VAL HG22 . 17828 1 666 . 1 1 53 53 VAL HG23 H 1 0.820 0.010 . 2 . . . A 53 VAL HG23 . 17828 1 667 . 1 1 53 53 VAL C C 13 173.943 0.200 . 1 . . . A 53 VAL C . 17828 1 668 . 1 1 53 53 VAL CA C 13 57.070 0.200 . 1 . . . A 53 VAL CA . 17828 1 669 . 1 1 53 53 VAL CB C 13 34.037 0.200 . 1 . . . A 53 VAL CB . 17828 1 670 . 1 1 53 53 VAL CG1 C 13 20.483 0.200 . 2 . . . A 53 VAL CG1 . 17828 1 671 . 1 1 53 53 VAL CG2 C 13 17.623 0.200 . 2 . . . A 53 VAL CG2 . 17828 1 672 . 1 1 53 53 VAL N N 15 126.326 0.100 . 1 . . . A 53 VAL N . 17828 1 673 . 1 1 54 54 ILE H H 1 8.006 0.010 . 1 . . . A 54 ILE H . 17828 1 674 . 1 1 54 54 ILE HA H 1 4.654 0.010 . 1 . . . A 54 ILE HA . 17828 1 675 . 1 1 54 54 ILE HB H 1 1.435 0.010 . 1 . . . A 54 ILE HB . 17828 1 676 . 1 1 54 54 ILE HG12 H 1 1.645 0.010 . 2 . . . A 54 ILE HG12 . 17828 1 677 . 1 1 54 54 ILE HG13 H 1 1.136 0.010 . 2 . . . A 54 ILE HG13 . 17828 1 678 . 1 1 54 54 ILE HG21 H 1 1.060 0.010 . 1 . . . A 54 ILE HG21 . 17828 1 679 . 1 1 54 54 ILE HG22 H 1 1.060 0.010 . 1 . . . A 54 ILE HG22 . 17828 1 680 . 1 1 54 54 ILE HG23 H 1 1.060 0.010 . 1 . . . A 54 ILE HG23 . 17828 1 681 . 1 1 54 54 ILE HD11 H 1 0.378 0.010 . 1 . . . A 54 ILE HD11 . 17828 1 682 . 1 1 54 54 ILE HD12 H 1 0.378 0.010 . 1 . . . A 54 ILE HD12 . 17828 1 683 . 1 1 54 54 ILE HD13 H 1 0.378 0.010 . 1 . . . A 54 ILE HD13 . 17828 1 684 . 1 1 54 54 ILE CA C 13 60.762 0.200 . 1 . . . A 54 ILE CA . 17828 1 685 . 1 1 54 54 ILE CB C 13 41.000 0.200 . 1 . . . A 54 ILE CB . 17828 1 686 . 1 1 54 54 ILE CG1 C 13 27.100 0.200 . 1 . . . A 54 ILE CG1 . 17828 1 687 . 1 1 54 54 ILE CG2 C 13 18.853 0.200 . 1 . . . A 54 ILE CG2 . 17828 1 688 . 1 1 54 54 ILE CD1 C 13 12.802 0.200 . 1 . . . A 54 ILE CD1 . 17828 1 689 . 1 1 54 54 ILE N N 15 122.310 0.100 . 1 . . . A 54 ILE N . 17828 1 690 . 1 1 55 55 GLY HA2 H 1 4.095 0.010 . 2 . . . A 55 GLY HA2 . 17828 1 691 . 1 1 55 55 GLY HA3 H 1 3.949 0.010 . 2 . . . A 55 GLY HA3 . 17828 1 692 . 1 1 55 55 GLY C C 13 175.471 0.200 . 1 . . . A 55 GLY C . 17828 1 693 . 1 1 55 55 GLY CA C 13 48.013 0.200 . 1 . . . A 55 GLY CA . 17828 1 694 . 1 1 56 56 GLN H H 1 8.972 0.010 . 1 . . . A 56 GLN H . 17828 1 695 . 1 1 56 56 GLN HA H 1 3.927 0.010 . 1 . . . A 56 GLN HA . 17828 1 696 . 1 1 56 56 GLN HB2 H 1 2.135 0.010 . 2 . . . A 56 GLN HB2 . 17828 1 697 . 1 1 56 56 GLN HB3 H 1 1.884 0.010 . 2 . . . A 56 GLN HB3 . 17828 1 698 . 1 1 56 56 GLN HG2 H 1 2.454 0.010 . 2 . . . A 56 GLN HG2 . 17828 1 699 . 1 1 56 56 GLN HG3 H 1 2.264 0.010 . 2 . . . A 56 GLN HG3 . 17828 1 700 . 1 1 56 56 GLN HE21 H 1 7.445 0.010 . 1 . . . A 56 GLN HE21 . 17828 1 701 . 1 1 56 56 GLN HE22 H 1 6.802 0.010 . 1 . . . A 56 GLN HE22 . 17828 1 702 . 1 1 56 56 GLN C C 13 175.683 0.200 . 1 . . . A 56 GLN C . 17828 1 703 . 1 1 56 56 GLN CA C 13 57.041 0.200 . 1 . . . A 56 GLN CA . 17828 1 704 . 1 1 56 56 GLN CB C 13 28.691 0.200 . 1 . . . A 56 GLN CB . 17828 1 705 . 1 1 56 56 GLN CG C 13 32.872 0.200 . 1 . . . A 56 GLN CG . 17828 1 706 . 1 1 56 56 GLN N N 15 111.690 0.100 . 1 . . . A 56 GLN N . 17828 1 707 . 1 1 56 56 GLN NE2 N 15 111.828 0.100 . 1 . . . A 56 GLN NE2 . 17828 1 708 . 1 1 57 57 ARG H H 1 8.505 0.010 . 1 . . . A 57 ARG H . 17828 1 709 . 1 1 57 57 ARG HA H 1 4.506 0.010 . 1 . . . A 57 ARG HA . 17828 1 710 . 1 1 57 57 ARG HB2 H 1 1.683 0.010 . 1 . . . A 57 ARG HB2 . 17828 1 711 . 1 1 57 57 ARG HB3 H 1 1.683 0.010 . 1 . . . A 57 ARG HB3 . 17828 1 712 . 1 1 57 57 ARG HG2 H 1 1.497 0.010 . 2 . . . A 57 ARG HG2 . 17828 1 713 . 1 1 57 57 ARG HG3 H 1 1.441 0.010 . 2 . . . A 57 ARG HG3 . 17828 1 714 . 1 1 57 57 ARG HD2 H 1 2.993 0.010 . 1 . . . A 57 ARG HD2 . 17828 1 715 . 1 1 57 57 ARG HD3 H 1 2.993 0.010 . 1 . . . A 57 ARG HD3 . 17828 1 716 . 1 1 57 57 ARG C C 13 175.232 0.200 . 1 . . . A 57 ARG C . 17828 1 717 . 1 1 57 57 ARG CA C 13 55.676 0.200 . 1 . . . A 57 ARG CA . 17828 1 718 . 1 1 57 57 ARG CB C 13 29.239 0.200 . 1 . . . A 57 ARG CB . 17828 1 719 . 1 1 57 57 ARG CD C 13 41.969 0.200 . 1 . . . A 57 ARG CD . 17828 1 720 . 1 1 57 57 ARG N N 15 120.629 0.100 . 1 . . . A 57 ARG N . 17828 1 721 . 1 1 58 58 LEU H H 1 8.371 0.010 . 1 . . . A 58 LEU H . 17828 1 722 . 1 1 58 58 LEU HA H 1 3.767 0.010 . 1 . . . A 58 LEU HA . 17828 1 723 . 1 1 58 58 LEU HB2 H 1 2.067 0.010 . 1 . . . A 58 LEU HB2 . 17828 1 724 . 1 1 58 58 LEU HB3 H 1 2.067 0.010 . 1 . . . A 58 LEU HB3 . 17828 1 725 . 1 1 58 58 LEU HD11 H 1 1.058 0.010 . 2 . . . A 58 LEU HD11 . 17828 1 726 . 1 1 58 58 LEU HD12 H 1 1.058 0.010 . 2 . . . A 58 LEU HD12 . 17828 1 727 . 1 1 58 58 LEU HD13 H 1 1.058 0.010 . 2 . . . A 58 LEU HD13 . 17828 1 728 . 1 1 58 58 LEU HD21 H 1 0.946 0.010 . 2 . . . A 58 LEU HD21 . 17828 1 729 . 1 1 58 58 LEU HD22 H 1 0.946 0.010 . 2 . . . A 58 LEU HD22 . 17828 1 730 . 1 1 58 58 LEU HD23 H 1 0.946 0.010 . 2 . . . A 58 LEU HD23 . 17828 1 731 . 1 1 58 58 LEU N N 15 114.814 0.100 . 1 . . . A 58 LEU N . 17828 1 732 . 1 1 59 59 ALA H H 1 7.955 0.010 . 1 . . . A 59 ALA H . 17828 1 733 . 1 1 59 59 ALA HA H 1 4.302 0.010 . 1 . . . A 59 ALA HA . 17828 1 734 . 1 1 59 59 ALA HB1 H 1 1.031 0.010 . 1 . . . A 59 ALA HB1 . 17828 1 735 . 1 1 59 59 ALA HB2 H 1 1.031 0.010 . 1 . . . A 59 ALA HB2 . 17828 1 736 . 1 1 59 59 ALA HB3 H 1 1.031 0.010 . 1 . . . A 59 ALA HB3 . 17828 1 737 . 1 1 59 59 ALA CA C 13 52.526 0.200 . 1 . . . A 59 ALA CA . 17828 1 738 . 1 1 59 59 ALA CB C 13 18.074 0.200 . 1 . . . A 59 ALA CB . 17828 1 739 . 1 1 59 59 ALA N N 15 115.826 0.100 . 1 . . . A 59 ALA N . 17828 1 740 . 1 1 60 60 ARG H H 1 7.917 0.010 . 1 . . . A 60 ARG H . 17828 1 741 . 1 1 60 60 ARG HA H 1 4.507 0.010 . 1 . . . A 60 ARG HA . 17828 1 742 . 1 1 60 60 ARG HB2 H 1 1.720 0.010 . 1 . . . A 60 ARG HB2 . 17828 1 743 . 1 1 60 60 ARG HB3 H 1 1.720 0.010 . 1 . . . A 60 ARG HB3 . 17828 1 744 . 1 1 60 60 ARG HG2 H 1 1.596 0.010 . 1 . . . A 60 ARG HG2 . 17828 1 745 . 1 1 60 60 ARG HG3 H 1 1.596 0.010 . 1 . . . A 60 ARG HG3 . 17828 1 746 . 1 1 60 60 ARG HD2 H 1 3.236 0.010 . 2 . . . A 60 ARG HD2 . 17828 1 747 . 1 1 60 60 ARG HD3 H 1 2.902 0.010 . 2 . . . A 60 ARG HD3 . 17828 1 748 . 1 1 60 60 ARG C C 13 178.429 0.200 . 1 . . . A 60 ARG C . 17828 1 749 . 1 1 60 60 ARG CA C 13 55.323 0.200 . 1 . . . A 60 ARG CA . 17828 1 750 . 1 1 60 60 ARG CB C 13 29.089 0.200 . 1 . . . A 60 ARG CB . 17828 1 751 . 1 1 60 60 ARG CD C 13 42.762 0.200 . 1 . . . A 60 ARG CD . 17828 1 752 . 1 1 60 60 ARG N N 15 115.166 0.100 . 1 . . . A 60 ARG N . 17828 1 753 . 1 1 61 61 ASP H H 1 8.309 0.010 . 1 . . . A 61 ASP H . 17828 1 754 . 1 1 61 61 ASP HA H 1 4.214 0.010 . 1 . . . A 61 ASP HA . 17828 1 755 . 1 1 61 61 ASP HB2 H 1 2.617 0.010 . 2 . . . A 61 ASP HB2 . 17828 1 756 . 1 1 61 61 ASP HB3 H 1 2.607 0.010 . 2 . . . A 61 ASP HB3 . 17828 1 757 . 1 1 61 61 ASP C C 13 176.880 0.200 . 1 . . . A 61 ASP C . 17828 1 758 . 1 1 61 61 ASP CA C 13 57.979 0.200 . 1 . . . A 61 ASP CA . 17828 1 759 . 1 1 61 61 ASP CB C 13 41.514 0.200 . 1 . . . A 61 ASP CB . 17828 1 760 . 1 1 61 61 ASP N N 15 119.389 0.100 . 1 . . . A 61 ASP N . 17828 1 761 . 1 1 62 62 GLN H H 1 8.611 0.010 . 1 . . . A 62 GLN H . 17828 1 762 . 1 1 62 62 GLN HA H 1 4.465 0.010 . 1 . . . A 62 GLN HA . 17828 1 763 . 1 1 62 62 GLN HB2 H 1 2.276 0.010 . 2 . . . A 62 GLN HB2 . 17828 1 764 . 1 1 62 62 GLN HB3 H 1 2.110 0.010 . 2 . . . A 62 GLN HB3 . 17828 1 765 . 1 1 62 62 GLN HG2 H 1 2.528 0.010 . 2 . . . A 62 GLN HG2 . 17828 1 766 . 1 1 62 62 GLN HG3 H 1 2.406 0.010 . 2 . . . A 62 GLN HG3 . 17828 1 767 . 1 1 62 62 GLN HE21 H 1 7.702 0.010 . 1 . . . A 62 GLN HE21 . 17828 1 768 . 1 1 62 62 GLN HE22 H 1 6.905 0.010 . 1 . . . A 62 GLN HE22 . 17828 1 769 . 1 1 62 62 GLN C C 13 176.397 0.200 . 1 . . . A 62 GLN C . 17828 1 770 . 1 1 62 62 GLN CA C 13 56.350 0.200 . 1 . . . A 62 GLN CA . 17828 1 771 . 1 1 62 62 GLN CB C 13 28.096 0.200 . 1 . . . A 62 GLN CB . 17828 1 772 . 1 1 62 62 GLN CG C 13 33.820 0.200 . 1 . . . A 62 GLN CG . 17828 1 773 . 1 1 62 62 GLN CD C 13 180.830 0.200 . 1 . . . A 62 GLN CD . 17828 1 774 . 1 1 62 62 GLN N N 15 113.090 0.100 . 1 . . . A 62 GLN N . 17828 1 775 . 1 1 62 62 GLN NE2 N 15 112.441 0.100 . 1 . . . A 62 GLN NE2 . 17828 1 776 . 1 1 63 63 GLU H H 1 7.885 0.010 . 1 . . . A 63 GLU H . 17828 1 777 . 1 1 63 63 GLU HA H 1 4.557 0.010 . 1 . . . A 63 GLU HA . 17828 1 778 . 1 1 63 63 GLU HB2 H 1 2.236 0.010 . 1 . . . A 63 GLU HB2 . 17828 1 779 . 1 1 63 63 GLU HB3 H 1 2.236 0.010 . 1 . . . A 63 GLU HB3 . 17828 1 780 . 1 1 63 63 GLU HG2 H 1 2.392 0.010 . 1 . . . A 63 GLU HG2 . 17828 1 781 . 1 1 63 63 GLU HG3 H 1 2.392 0.010 . 1 . . . A 63 GLU HG3 . 17828 1 782 . 1 1 63 63 GLU C C 13 176.236 0.200 . 1 . . . A 63 GLU C . 17828 1 783 . 1 1 63 63 GLU CA C 13 55.369 0.200 . 1 . . . A 63 GLU CA . 17828 1 784 . 1 1 63 63 GLU CB C 13 31.040 0.200 . 1 . . . A 63 GLU CB . 17828 1 785 . 1 1 63 63 GLU CG C 13 37.306 0.200 . 1 . . . A 63 GLU CG . 17828 1 786 . 1 1 63 63 GLU N N 15 119.851 0.100 . 1 . . . A 63 GLU N . 17828 1 787 . 1 1 64 64 THR H H 1 8.368 0.010 . 1 . . . A 64 THR H . 17828 1 788 . 1 1 64 64 THR HA H 1 4.988 0.010 . 1 . . . A 64 THR HA . 17828 1 789 . 1 1 64 64 THR HB H 1 4.690 0.010 . 1 . . . A 64 THR HB . 17828 1 790 . 1 1 64 64 THR HG21 H 1 1.279 0.010 . 1 . . . A 64 THR HG21 . 17828 1 791 . 1 1 64 64 THR HG22 H 1 1.279 0.010 . 1 . . . A 64 THR HG22 . 17828 1 792 . 1 1 64 64 THR HG23 H 1 1.279 0.010 . 1 . . . A 64 THR HG23 . 17828 1 793 . 1 1 64 64 THR C C 13 178.372 0.200 . 1 . . . A 64 THR C . 17828 1 794 . 1 1 64 64 THR CA C 13 59.940 0.200 . 1 . . . A 64 THR CA . 17828 1 795 . 1 1 64 64 THR CB C 13 71.802 0.200 . 1 . . . A 64 THR CB . 17828 1 796 . 1 1 64 64 THR CG2 C 13 21.781 0.200 . 1 . . . A 64 THR CG2 . 17828 1 797 . 1 1 64 64 THR N N 15 108.125 0.100 . 1 . . . A 64 THR N . 17828 1 798 . 1 1 65 65 LEU H H 1 8.679 0.010 . 1 . . . A 65 LEU H . 17828 1 799 . 1 1 65 65 LEU HA H 1 3.943 0.010 . 1 . . . A 65 LEU HA . 17828 1 800 . 1 1 65 65 LEU HB2 H 1 2.081 0.010 . 2 . . . A 65 LEU HB2 . 17828 1 801 . 1 1 65 65 LEU HB3 H 1 1.234 0.010 . 2 . . . A 65 LEU HB3 . 17828 1 802 . 1 1 65 65 LEU HG H 1 1.715 0.010 . 1 . . . A 65 LEU HG . 17828 1 803 . 1 1 65 65 LEU HD11 H 1 0.736 0.010 . 2 . . . A 65 LEU HD11 . 17828 1 804 . 1 1 65 65 LEU HD12 H 1 0.736 0.010 . 2 . . . A 65 LEU HD12 . 17828 1 805 . 1 1 65 65 LEU HD13 H 1 0.736 0.010 . 2 . . . A 65 LEU HD13 . 17828 1 806 . 1 1 65 65 LEU HD21 H 1 0.475 0.010 . 2 . . . A 65 LEU HD21 . 17828 1 807 . 1 1 65 65 LEU HD22 H 1 0.475 0.010 . 2 . . . A 65 LEU HD22 . 17828 1 808 . 1 1 65 65 LEU HD23 H 1 0.475 0.010 . 2 . . . A 65 LEU HD23 . 17828 1 809 . 1 1 65 65 LEU C C 13 180.730 0.200 . 1 . . . A 65 LEU C . 17828 1 810 . 1 1 65 65 LEU CA C 13 58.964 0.200 . 1 . . . A 65 LEU CA . 17828 1 811 . 1 1 65 65 LEU CB C 13 39.337 0.200 . 1 . . . A 65 LEU CB . 17828 1 812 . 1 1 65 65 LEU CG C 13 27.717 0.200 . 1 . . . A 65 LEU CG . 17828 1 813 . 1 1 65 65 LEU CD1 C 13 25.612 0.200 . 2 . . . A 65 LEU CD1 . 17828 1 814 . 1 1 65 65 LEU CD2 C 13 22.873 0.200 . 2 . . . A 65 LEU CD2 . 17828 1 815 . 1 1 65 65 LEU N N 15 122.800 0.100 . 1 . . . A 65 LEU N . 17828 1 816 . 1 1 66 66 HIS H H 1 9.432 0.010 . 1 . . . A 66 HIS H . 17828 1 817 . 1 1 66 66 HIS HA H 1 4.392 0.010 . 1 . . . A 66 HIS HA . 17828 1 818 . 1 1 66 66 HIS HB2 H 1 3.116 0.010 . 2 . . . A 66 HIS HB2 . 17828 1 819 . 1 1 66 66 HIS HB3 H 1 2.962 0.010 . 2 . . . A 66 HIS HB3 . 17828 1 820 . 1 1 66 66 HIS HD2 H 1 6.977 0.010 . 1 . . . A 66 HIS HD2 . 17828 1 821 . 1 1 66 66 HIS HE1 H 1 7.650 0.010 . 1 . . . A 66 HIS HE1 . 17828 1 822 . 1 1 66 66 HIS C C 13 179.970 0.200 . 1 . . . A 66 HIS C . 17828 1 823 . 1 1 66 66 HIS CA C 13 60.281 0.200 . 1 . . . A 66 HIS CA . 17828 1 824 . 1 1 66 66 HIS CB C 13 30.891 0.200 . 1 . . . A 66 HIS CB . 17828 1 825 . 1 1 66 66 HIS CD2 C 13 119.249 0.200 . 1 . . . A 66 HIS CD2 . 17828 1 826 . 1 1 66 66 HIS CE1 C 13 138.625 0.200 . 1 . . . A 66 HIS CE1 . 17828 1 827 . 1 1 66 66 HIS N N 15 121.587 0.100 . 1 . . . A 66 HIS N . 17828 1 828 . 1 1 67 67 SER H H 1 8.211 0.010 . 1 . . . A 67 SER H . 17828 1 829 . 1 1 67 67 SER HA H 1 4.226 0.010 . 1 . . . A 67 SER HA . 17828 1 830 . 1 1 67 67 SER HB2 H 1 4.072 0.010 . 2 . . . A 67 SER HB2 . 17828 1 831 . 1 1 67 67 SER HB3 H 1 3.938 0.010 . 2 . . . A 67 SER HB3 . 17828 1 832 . 1 1 67 67 SER C C 13 175.051 0.200 . 1 . . . A 67 SER C . 17828 1 833 . 1 1 67 67 SER CA C 13 61.625 0.200 . 1 . . . A 67 SER CA . 17828 1 834 . 1 1 67 67 SER CB C 13 62.901 0.200 . 1 . . . A 67 SER CB . 17828 1 835 . 1 1 67 67 SER N N 15 117.711 0.100 . 1 . . . A 67 SER N . 17828 1 836 . 1 1 68 68 HIS H H 1 7.607 0.010 . 1 . . . A 68 HIS H . 17828 1 837 . 1 1 68 68 HIS HA H 1 4.658 0.010 . 1 . . . A 68 HIS HA . 17828 1 838 . 1 1 68 68 HIS HB2 H 1 3.515 0.010 . 2 . . . A 68 HIS HB2 . 17828 1 839 . 1 1 68 68 HIS HB3 H 1 2.795 0.010 . 2 . . . A 68 HIS HB3 . 17828 1 840 . 1 1 68 68 HIS HD2 H 1 7.165 0.010 . 1 . . . A 68 HIS HD2 . 17828 1 841 . 1 1 68 68 HIS HE1 H 1 8.269 0.010 . 1 . . . A 68 HIS HE1 . 17828 1 842 . 1 1 68 68 HIS C C 13 174.308 0.200 . 1 . . . A 68 HIS C . 17828 1 843 . 1 1 68 68 HIS CA C 13 56.928 0.200 . 1 . . . A 68 HIS CA . 17828 1 844 . 1 1 68 68 HIS CB C 13 30.638 0.200 . 1 . . . A 68 HIS CB . 17828 1 845 . 1 1 68 68 HIS CD2 C 13 119.601 0.200 . 1 . . . A 68 HIS CD2 . 17828 1 846 . 1 1 68 68 HIS CE1 C 13 136.284 0.200 . 1 . . . A 68 HIS CE1 . 17828 1 847 . 1 1 68 68 HIS N N 15 119.139 0.100 . 1 . . . A 68 HIS N . 17828 1 848 . 1 1 69 69 GLY H H 1 7.894 0.010 . 1 . . . A 69 GLY H . 17828 1 849 . 1 1 69 69 GLY HA2 H 1 4.220 0.010 . 2 . . . A 69 GLY HA2 . 17828 1 850 . 1 1 69 69 GLY HA3 H 1 3.521 0.010 . 2 . . . A 69 GLY HA3 . 17828 1 851 . 1 1 69 69 GLY C C 13 173.849 0.200 . 1 . . . A 69 GLY C . 17828 1 852 . 1 1 69 69 GLY CA C 13 45.692 0.200 . 1 . . . A 69 GLY CA . 17828 1 853 . 1 1 69 69 GLY N N 15 106.147 0.100 . 1 . . . A 69 GLY N . 17828 1 854 . 1 1 70 70 VAL H H 1 7.384 0.010 . 1 . . . A 70 VAL H . 17828 1 855 . 1 1 70 70 VAL HA H 1 3.980 0.010 . 1 . . . A 70 VAL HA . 17828 1 856 . 1 1 70 70 VAL HB H 1 1.707 0.010 . 1 . . . A 70 VAL HB . 17828 1 857 . 1 1 70 70 VAL HG11 H 1 0.820 0.010 . 2 . . . A 70 VAL HG11 . 17828 1 858 . 1 1 70 70 VAL HG12 H 1 0.820 0.010 . 2 . . . A 70 VAL HG12 . 17828 1 859 . 1 1 70 70 VAL HG13 H 1 0.820 0.010 . 2 . . . A 70 VAL HG13 . 17828 1 860 . 1 1 70 70 VAL HG21 H 1 0.782 0.010 . 2 . . . A 70 VAL HG21 . 17828 1 861 . 1 1 70 70 VAL HG22 H 1 0.782 0.010 . 2 . . . A 70 VAL HG22 . 17828 1 862 . 1 1 70 70 VAL HG23 H 1 0.782 0.010 . 2 . . . A 70 VAL HG23 . 17828 1 863 . 1 1 70 70 VAL C C 13 174.721 0.200 . 1 . . . A 70 VAL C . 17828 1 864 . 1 1 70 70 VAL CA C 13 63.533 0.200 . 1 . . . A 70 VAL CA . 17828 1 865 . 1 1 70 70 VAL CB C 13 30.386 0.200 . 1 . . . A 70 VAL CB . 17828 1 866 . 1 1 70 70 VAL CG1 C 13 21.787 0.200 . 2 . . . A 70 VAL CG1 . 17828 1 867 . 1 1 70 70 VAL CG2 C 13 21.989 0.200 . 2 . . . A 70 VAL CG2 . 17828 1 868 . 1 1 70 70 VAL N N 15 121.814 0.100 . 1 . . . A 70 VAL N . 17828 1 869 . 1 1 71 71 ARG H H 1 9.319 0.010 . 1 . . . A 71 ARG H . 17828 1 870 . 1 1 71 71 ARG HA H 1 4.575 0.010 . 1 . . . A 71 ARG HA . 17828 1 871 . 1 1 71 71 ARG HB2 H 1 1.819 0.010 . 1 . . . A 71 ARG HB2 . 17828 1 872 . 1 1 71 71 ARG HB3 H 1 1.819 0.010 . 1 . . . A 71 ARG HB3 . 17828 1 873 . 1 1 71 71 ARG HG2 H 1 1.555 0.010 . 2 . . . A 71 ARG HG2 . 17828 1 874 . 1 1 71 71 ARG HG3 H 1 1.382 0.010 . 2 . . . A 71 ARG HG3 . 17828 1 875 . 1 1 71 71 ARG HD2 H 1 3.068 0.010 . 1 . . . A 71 ARG HD2 . 17828 1 876 . 1 1 71 71 ARG HD3 H 1 3.068 0.010 . 1 . . . A 71 ARG HD3 . 17828 1 877 . 1 1 71 71 ARG C C 13 175.249 0.200 . 1 . . . A 71 ARG C . 17828 1 878 . 1 1 71 71 ARG CA C 13 56.102 0.200 . 1 . . . A 71 ARG CA . 17828 1 879 . 1 1 71 71 ARG CB C 13 35.020 0.200 . 1 . . . A 71 ARG CB . 17828 1 880 . 1 1 71 71 ARG CG C 13 26.829 0.200 . 1 . . . A 71 ARG CG . 17828 1 881 . 1 1 71 71 ARG CD C 13 43.401 0.200 . 1 . . . A 71 ARG CD . 17828 1 882 . 1 1 71 71 ARG N N 15 123.713 0.100 . 1 . . . A 71 ARG N . 17828 1 883 . 1 1 72 72 GLN H H 1 8.935 0.010 . 1 . . . A 72 GLN H . 17828 1 884 . 1 1 72 72 GLN HA H 1 4.832 0.010 . 1 . . . A 72 GLN HA . 17828 1 885 . 1 1 72 72 GLN HB2 H 1 2.291 0.010 . 1 . . . A 72 GLN HB2 . 17828 1 886 . 1 1 72 72 GLN HB3 H 1 2.291 0.010 . 1 . . . A 72 GLN HB3 . 17828 1 887 . 1 1 72 72 GLN HG2 H 1 2.476 0.010 . 2 . . . A 72 GLN HG2 . 17828 1 888 . 1 1 72 72 GLN HG3 H 1 2.061 0.010 . 2 . . . A 72 GLN HG3 . 17828 1 889 . 1 1 72 72 GLN HE21 H 1 7.893 0.010 . 1 . . . A 72 GLN HE21 . 17828 1 890 . 1 1 72 72 GLN HE22 H 1 6.813 0.010 . 1 . . . A 72 GLN HE22 . 17828 1 891 . 1 1 72 72 GLN C C 13 173.470 0.200 . 1 . . . A 72 GLN C . 17828 1 892 . 1 1 72 72 GLN CA C 13 54.329 0.200 . 1 . . . A 72 GLN CA . 17828 1 893 . 1 1 72 72 GLN CB C 13 32.503 0.200 . 1 . . . A 72 GLN CB . 17828 1 894 . 1 1 72 72 GLN CG C 13 32.499 0.200 . 1 . . . A 72 GLN CG . 17828 1 895 . 1 1 72 72 GLN CD C 13 181.095 0.200 . 1 . . . A 72 GLN CD . 17828 1 896 . 1 1 72 72 GLN N N 15 119.592 0.100 . 1 . . . A 72 GLN N . 17828 1 897 . 1 1 72 72 GLN NE2 N 15 112.626 0.100 . 1 . . . A 72 GLN NE2 . 17828 1 898 . 1 1 73 73 ASN H H 1 8.744 0.010 . 1 . . . A 73 ASN H . 17828 1 899 . 1 1 73 73 ASN HA H 1 4.862 0.010 . 1 . . . A 73 ASN HA . 17828 1 900 . 1 1 73 73 ASN HB2 H 1 2.877 0.010 . 2 . . . A 73 ASN HB2 . 17828 1 901 . 1 1 73 73 ASN HB3 H 1 2.795 0.010 . 2 . . . A 73 ASN HB3 . 17828 1 902 . 1 1 73 73 ASN HD21 H 1 7.117 0.010 . 1 . . . A 73 ASN HD21 . 17828 1 903 . 1 1 73 73 ASN HD22 H 1 7.763 0.010 . 1 . . . A 73 ASN HD22 . 17828 1 904 . 1 1 73 73 ASN C C 13 177.428 0.200 . 1 . . . A 73 ASN C . 17828 1 905 . 1 1 73 73 ASN CA C 13 54.541 0.200 . 1 . . . A 73 ASN CA . 17828 1 906 . 1 1 73 73 ASN CB C 13 38.640 0.200 . 1 . . . A 73 ASN CB . 17828 1 907 . 1 1 73 73 ASN CG C 13 175.908 0.200 . 1 . . . A 73 ASN CG . 17828 1 908 . 1 1 73 73 ASN N N 15 118.123 0.100 . 1 . . . A 73 ASN N . 17828 1 909 . 1 1 73 73 ASN ND2 N 15 113.514 0.100 . 1 . . . A 73 ASN ND2 . 17828 1 910 . 1 1 74 74 GLY H H 1 9.779 0.010 . 1 . . . A 74 GLY H . 17828 1 911 . 1 1 74 74 GLY HA2 H 1 4.561 0.010 . 2 . . . A 74 GLY HA2 . 17828 1 912 . 1 1 74 74 GLY HA3 H 1 3.789 0.010 . 2 . . . A 74 GLY HA3 . 17828 1 913 . 1 1 74 74 GLY C C 13 174.666 0.200 . 1 . . . A 74 GLY C . 17828 1 914 . 1 1 74 74 GLY CA C 13 45.472 0.200 . 1 . . . A 74 GLY CA . 17828 1 915 . 1 1 74 74 GLY N N 15 111.694 0.100 . 1 . . . A 74 GLY N . 17828 1 916 . 1 1 75 75 ASP H H 1 7.923 0.010 . 1 . . . A 75 ASP H . 17828 1 917 . 1 1 75 75 ASP HA H 1 4.884 0.010 . 1 . . . A 75 ASP HA . 17828 1 918 . 1 1 75 75 ASP HB2 H 1 2.968 0.010 . 2 . . . A 75 ASP HB2 . 17828 1 919 . 1 1 75 75 ASP HB3 H 1 2.769 0.010 . 2 . . . A 75 ASP HB3 . 17828 1 920 . 1 1 75 75 ASP C C 13 173.996 0.200 . 1 . . . A 75 ASP C . 17828 1 921 . 1 1 75 75 ASP CA C 13 56.140 0.200 . 1 . . . A 75 ASP CA . 17828 1 922 . 1 1 75 75 ASP CB C 13 41.715 0.200 . 1 . . . A 75 ASP CB . 17828 1 923 . 1 1 75 75 ASP N N 15 122.267 0.100 . 1 . . . A 75 ASP N . 17828 1 924 . 1 1 76 76 SER H H 1 8.229 0.010 . 1 . . . A 76 SER H . 17828 1 925 . 1 1 76 76 SER HA H 1 5.922 0.010 . 1 . . . A 76 SER HA . 17828 1 926 . 1 1 76 76 SER HB2 H 1 3.790 0.010 . 1 . . . A 76 SER HB2 . 17828 1 927 . 1 1 76 76 SER HB3 H 1 3.790 0.010 . 1 . . . A 76 SER HB3 . 17828 1 928 . 1 1 76 76 SER C C 13 174.149 0.200 . 1 . . . A 76 SER C . 17828 1 929 . 1 1 76 76 SER CA C 13 57.643 0.200 . 1 . . . A 76 SER CA . 17828 1 930 . 1 1 76 76 SER CB C 13 67.833 0.200 . 1 . . . A 76 SER CB . 17828 1 931 . 1 1 76 76 SER N N 15 111.974 0.100 . 1 . . . A 76 SER N . 17828 1 932 . 1 1 77 77 ALA H H 1 8.672 0.010 . 1 . . . A 77 ALA H . 17828 1 933 . 1 1 77 77 ALA HA H 1 4.801 0.010 . 1 . . . A 77 ALA HA . 17828 1 934 . 1 1 77 77 ALA HB1 H 1 1.567 0.010 . 1 . . . A 77 ALA HB1 . 17828 1 935 . 1 1 77 77 ALA HB2 H 1 1.567 0.010 . 1 . . . A 77 ALA HB2 . 17828 1 936 . 1 1 77 77 ALA HB3 H 1 1.567 0.010 . 1 . . . A 77 ALA HB3 . 17828 1 937 . 1 1 77 77 ALA C C 13 173.571 0.200 . 1 . . . A 77 ALA C . 17828 1 938 . 1 1 77 77 ALA CA C 13 51.411 0.200 . 1 . . . A 77 ALA CA . 17828 1 939 . 1 1 77 77 ALA CB C 13 24.258 0.200 . 1 . . . A 77 ALA CB . 17828 1 940 . 1 1 77 77 ALA N N 15 121.293 0.100 . 1 . . . A 77 ALA N . 17828 1 941 . 1 1 78 78 TYR H H 1 8.521 0.010 . 1 . . . A 78 TYR H . 17828 1 942 . 1 1 78 78 TYR HA H 1 4.735 0.010 . 1 . . . A 78 TYR HA . 17828 1 943 . 1 1 78 78 TYR HB2 H 1 3.078 0.010 . 2 . . . A 78 TYR HB2 . 17828 1 944 . 1 1 78 78 TYR HB3 H 1 2.874 0.010 . 2 . . . A 78 TYR HB3 . 17828 1 945 . 1 1 78 78 TYR HD1 H 1 7.081 0.010 . 3 . . . A 78 TYR HD1 . 17828 1 946 . 1 1 78 78 TYR HD2 H 1 7.081 0.010 . 3 . . . A 78 TYR HD2 . 17828 1 947 . 1 1 78 78 TYR HE1 H 1 6.794 0.010 . 3 . . . A 78 TYR HE1 . 17828 1 948 . 1 1 78 78 TYR HE2 H 1 6.794 0.010 . 3 . . . A 78 TYR HE2 . 17828 1 949 . 1 1 78 78 TYR C C 13 172.382 0.200 . 1 . . . A 78 TYR C . 17828 1 950 . 1 1 78 78 TYR CA C 13 57.602 0.200 . 1 . . . A 78 TYR CA . 17828 1 951 . 1 1 78 78 TYR CB C 13 41.018 0.200 . 1 . . . A 78 TYR CB . 17828 1 952 . 1 1 78 78 TYR CD1 C 13 133.155 0.200 . 3 . . . A 78 TYR CD1 . 17828 1 953 . 1 1 78 78 TYR CD2 C 13 133.155 0.200 . 3 . . . A 78 TYR CD2 . 17828 1 954 . 1 1 78 78 TYR CE1 C 13 117.490 0.200 . 3 . . . A 78 TYR CE1 . 17828 1 955 . 1 1 78 78 TYR CE2 C 13 117.490 0.200 . 3 . . . A 78 TYR CE2 . 17828 1 956 . 1 1 78 78 TYR N N 15 119.415 0.100 . 1 . . . A 78 TYR N . 17828 1 957 . 1 1 79 79 LEU H H 1 8.218 0.010 . 1 . . . A 79 LEU H . 17828 1 958 . 1 1 79 79 LEU HA H 1 4.030 0.010 . 1 . . . A 79 LEU HA . 17828 1 959 . 1 1 79 79 LEU HB2 H 1 0.687 0.010 . 2 . . . A 79 LEU HB2 . 17828 1 960 . 1 1 79 79 LEU HB3 H 1 -0.780 0.010 . 2 . . . A 79 LEU HB3 . 17828 1 961 . 1 1 79 79 LEU HG H 1 0.537 0.010 . 1 . . . A 79 LEU HG . 17828 1 962 . 1 1 79 79 LEU HD11 H 1 0.284 0.010 . 2 . . . A 79 LEU HD11 . 17828 1 963 . 1 1 79 79 LEU HD12 H 1 0.284 0.010 . 2 . . . A 79 LEU HD12 . 17828 1 964 . 1 1 79 79 LEU HD13 H 1 0.284 0.010 . 2 . . . A 79 LEU HD13 . 17828 1 965 . 1 1 79 79 LEU HD21 H 1 -0.417 0.010 . 2 . . . A 79 LEU HD21 . 17828 1 966 . 1 1 79 79 LEU HD22 H 1 -0.417 0.010 . 2 . . . A 79 LEU HD22 . 17828 1 967 . 1 1 79 79 LEU HD23 H 1 -0.417 0.010 . 2 . . . A 79 LEU HD23 . 17828 1 968 . 1 1 79 79 LEU C C 13 173.140 0.200 . 1 . . . A 79 LEU C . 17828 1 969 . 1 1 79 79 LEU CA C 13 52.541 0.200 . 1 . . . A 79 LEU CA . 17828 1 970 . 1 1 79 79 LEU CB C 13 42.280 0.200 . 1 . . . A 79 LEU CB . 17828 1 971 . 1 1 79 79 LEU CG C 13 26.425 0.200 . 1 . . . A 79 LEU CG . 17828 1 972 . 1 1 79 79 LEU CD1 C 13 25.165 0.200 . 2 . . . A 79 LEU CD1 . 17828 1 973 . 1 1 79 79 LEU CD2 C 13 20.865 0.200 . 2 . . . A 79 LEU CD2 . 17828 1 974 . 1 1 79 79 LEU N N 15 125.101 0.100 . 1 . . . A 79 LEU N . 17828 1 975 . 1 1 80 80 TYR H H 1 9.016 0.010 . 1 . . . A 80 TYR H . 17828 1 976 . 1 1 80 80 TYR HB2 H 1 2.900 0.010 . 2 . . . A 80 TYR HB2 . 17828 1 977 . 1 1 80 80 TYR HB3 H 1 2.726 0.010 . 2 . . . A 80 TYR HB3 . 17828 1 978 . 1 1 80 80 TYR HD1 H 1 7.046 0.010 . 3 . . . A 80 TYR HD1 . 17828 1 979 . 1 1 80 80 TYR HD2 H 1 7.046 0.010 . 3 . . . A 80 TYR HD2 . 17828 1 980 . 1 1 80 80 TYR HE1 H 1 6.667 0.010 . 3 . . . A 80 TYR HE1 . 17828 1 981 . 1 1 80 80 TYR HE2 H 1 6.667 0.010 . 3 . . . A 80 TYR HE2 . 17828 1 982 . 1 1 80 80 TYR CA C 13 56.561 0.200 . 1 . . . A 80 TYR CA . 17828 1 983 . 1 1 80 80 TYR CB C 13 37.303 0.200 . 1 . . . A 80 TYR CB . 17828 1 984 . 1 1 80 80 TYR CD1 C 13 133.642 0.200 . 3 . . . A 80 TYR CD1 . 17828 1 985 . 1 1 80 80 TYR CD2 C 13 133.642 0.200 . 3 . . . A 80 TYR CD2 . 17828 1 986 . 1 1 80 80 TYR CE1 C 13 117.988 0.200 . 3 . . . A 80 TYR CE1 . 17828 1 987 . 1 1 80 80 TYR CE2 C 13 117.988 0.200 . 3 . . . A 80 TYR CE2 . 17828 1 988 . 1 1 80 80 TYR N N 15 126.713 0.100 . 1 . . . A 80 TYR N . 17828 1 989 . 1 1 81 81 LEU HA H 1 4.982 0.010 . 1 . . . A 81 LEU HA . 17828 1 990 . 1 1 81 81 LEU HB2 H 1 1.426 0.010 . 2 . . . A 81 LEU HB2 . 17828 1 991 . 1 1 81 81 LEU HB3 H 1 1.154 0.010 . 2 . . . A 81 LEU HB3 . 17828 1 992 . 1 1 81 81 LEU HG H 1 0.915 0.010 . 1 . . . A 81 LEU HG . 17828 1 993 . 1 1 81 81 LEU HD11 H 1 0.130 0.010 . 2 . . . A 81 LEU HD11 . 17828 1 994 . 1 1 81 81 LEU HD12 H 1 0.130 0.010 . 2 . . . A 81 LEU HD12 . 17828 1 995 . 1 1 81 81 LEU HD13 H 1 0.130 0.010 . 2 . . . A 81 LEU HD13 . 17828 1 996 . 1 1 81 81 LEU HD21 H 1 -0.107 0.010 . 2 . . . A 81 LEU HD21 . 17828 1 997 . 1 1 81 81 LEU HD22 H 1 -0.107 0.010 . 2 . . . A 81 LEU HD22 . 17828 1 998 . 1 1 81 81 LEU HD23 H 1 -0.107 0.010 . 2 . . . A 81 LEU HD23 . 17828 1 999 . 1 1 81 81 LEU CA C 13 52.500 0.200 . 1 . . . A 81 LEU CA . 17828 1 1000 . 1 1 81 81 LEU CB C 13 41.961 0.200 . 1 . . . A 81 LEU CB . 17828 1 1001 . 1 1 81 81 LEU CG C 13 26.129 0.200 . 1 . . . A 81 LEU CG . 17828 1 1002 . 1 1 81 81 LEU CD1 C 13 22.879 0.200 . 2 . . . A 81 LEU CD1 . 17828 1 1003 . 1 1 81 81 LEU CD2 C 13 24.262 0.200 . 2 . . . A 81 LEU CD2 . 17828 1 1004 . 1 1 82 82 LEU H H 1 8.898 0.010 . 1 . . . A 82 LEU H . 17828 1 1005 . 1 1 82 82 LEU HA H 1 4.354 0.010 . 1 . . . A 82 LEU HA . 17828 1 1006 . 1 1 82 82 LEU HB2 H 1 1.628 0.010 . 2 . . . A 82 LEU HB2 . 17828 1 1007 . 1 1 82 82 LEU HB3 H 1 1.608 0.010 . 2 . . . A 82 LEU HB3 . 17828 1 1008 . 1 1 82 82 LEU HD11 H 1 0.889 0.010 . 2 . . . A 82 LEU HD11 . 17828 1 1009 . 1 1 82 82 LEU HD12 H 1 0.889 0.010 . 2 . . . A 82 LEU HD12 . 17828 1 1010 . 1 1 82 82 LEU HD13 H 1 0.889 0.010 . 2 . . . A 82 LEU HD13 . 17828 1 1011 . 1 1 82 82 LEU HD21 H 1 0.776 0.010 . 2 . . . A 82 LEU HD21 . 17828 1 1012 . 1 1 82 82 LEU HD22 H 1 0.776 0.010 . 2 . . . A 82 LEU HD22 . 17828 1 1013 . 1 1 82 82 LEU HD23 H 1 0.776 0.010 . 2 . . . A 82 LEU HD23 . 17828 1 1014 . 1 1 82 82 LEU C C 13 176.500 0.200 . 1 . . . A 82 LEU C . 17828 1 1015 . 1 1 82 82 LEU CA C 13 53.904 0.200 . 1 . . . A 82 LEU CA . 17828 1 1016 . 1 1 82 82 LEU CB C 13 42.758 0.200 . 1 . . . A 82 LEU CB . 17828 1 1017 . 1 1 82 82 LEU CG C 13 27.393 0.200 . 1 . . . A 82 LEU CG . 17828 1 1018 . 1 1 82 82 LEU CD1 C 13 25.517 0.200 . 2 . . . A 82 LEU CD1 . 17828 1 1019 . 1 1 82 82 LEU CD2 C 13 22.200 0.200 . 2 . . . A 82 LEU CD2 . 17828 1 1020 . 1 1 82 82 LEU N N 15 124.459 0.100 . 1 . . . A 82 LEU N . 17828 1 1021 . 1 1 83 83 SER H H 1 8.277 0.010 . 1 . . . A 83 SER H . 17828 1 1022 . 1 1 83 83 SER HA H 1 4.351 0.010 . 1 . . . A 83 SER HA . 17828 1 1023 . 1 1 83 83 SER HB2 H 1 3.846 0.010 . 2 . . . A 83 SER HB2 . 17828 1 1024 . 1 1 83 83 SER HB3 H 1 3.792 0.010 . 2 . . . A 83 SER HB3 . 17828 1 1025 . 1 1 83 83 SER C C 13 174.662 0.200 . 1 . . . A 83 SER C . 17828 1 1026 . 1 1 83 83 SER CA C 13 58.099 0.200 . 1 . . . A 83 SER CA . 17828 1 1027 . 1 1 83 83 SER CB C 13 64.197 0.200 . 1 . . . A 83 SER CB . 17828 1 1028 . 1 1 83 83 SER N N 15 113.203 0.100 . 1 . . . A 83 SER N . 17828 1 1029 . 1 1 84 84 ALA H H 1 8.494 0.010 . 1 . . . A 84 ALA H . 17828 1 1030 . 1 1 84 84 ALA HA H 1 4.290 0.010 . 1 . . . A 84 ALA HA . 17828 1 1031 . 1 1 84 84 ALA HB1 H 1 1.393 0.010 . 1 . . . A 84 ALA HB1 . 17828 1 1032 . 1 1 84 84 ALA HB2 H 1 1.393 0.010 . 1 . . . A 84 ALA HB2 . 17828 1 1033 . 1 1 84 84 ALA HB3 H 1 1.393 0.010 . 1 . . . A 84 ALA HB3 . 17828 1 1034 . 1 1 84 84 ALA C C 13 177.502 0.200 . 1 . . . A 84 ALA C . 17828 1 1035 . 1 1 84 84 ALA CA C 13 52.550 0.200 . 1 . . . A 84 ALA CA . 17828 1 1036 . 1 1 84 84 ALA CB C 13 19.386 0.200 . 1 . . . A 84 ALA CB . 17828 1 1037 . 1 1 84 84 ALA N N 15 126.171 0.100 . 1 . . . A 84 ALA N . 17828 1 1038 . 1 1 85 85 ARG H H 1 8.338 0.010 . 1 . . . A 85 ARG H . 17828 1 1039 . 1 1 85 85 ARG HA H 1 4.269 0.010 . 1 . . . A 85 ARG HA . 17828 1 1040 . 1 1 85 85 ARG HB2 H 1 1.801 0.010 . 2 . . . A 85 ARG HB2 . 17828 1 1041 . 1 1 85 85 ARG HB3 H 1 1.748 0.010 . 2 . . . A 85 ARG HB3 . 17828 1 1042 . 1 1 85 85 ARG HG2 H 1 1.643 0.010 . 2 . . . A 85 ARG HG2 . 17828 1 1043 . 1 1 85 85 ARG HG3 H 1 1.601 0.010 . 2 . . . A 85 ARG HG3 . 17828 1 1044 . 1 1 85 85 ARG HD2 H 1 3.280 0.010 . 2 . . . A 85 ARG HD2 . 17828 1 1045 . 1 1 85 85 ARG HD3 H 1 3.173 0.010 . 2 . . . A 85 ARG HD3 . 17828 1 1046 . 1 1 85 85 ARG HE H 1 7.823 0.010 . 1 . . . A 85 ARG HE . 17828 1 1047 . 1 1 85 85 ARG C C 13 175.930 0.200 . 1 . . . A 85 ARG C . 17828 1 1048 . 1 1 85 85 ARG CA C 13 56.146 0.200 . 1 . . . A 85 ARG CA . 17828 1 1049 . 1 1 85 85 ARG CB C 13 30.844 0.200 . 1 . . . A 85 ARG CB . 17828 1 1050 . 1 1 85 85 ARG CG C 13 27.153 0.200 . 1 . . . A 85 ARG CG . 17828 1 1051 . 1 1 85 85 ARG CD C 13 43.499 0.200 . 1 . . . A 85 ARG CD . 17828 1 1052 . 1 1 85 85 ARG N N 15 119.720 0.100 . 1 . . . A 85 ARG N . 17828 1 1053 . 1 1 85 85 ARG NE N 15 84.813 0.100 . 1 . . . A 85 ARG NE . 17828 1 1054 . 1 1 86 86 ASN H H 1 8.514 0.010 . 1 . . . A 86 ASN H . 17828 1 1055 . 1 1 86 86 ASN HA H 1 4.784 0.010 . 1 . . . A 86 ASN HA . 17828 1 1056 . 1 1 86 86 ASN HB2 H 1 2.807 0.010 . 2 . . . A 86 ASN HB2 . 17828 1 1057 . 1 1 86 86 ASN HB3 H 1 2.893 0.010 . 2 . . . A 86 ASN HB3 . 17828 1 1058 . 1 1 86 86 ASN HD21 H 1 7.647 0.010 . 1 . . . A 86 ASN HD21 . 17828 1 1059 . 1 1 86 86 ASN HD22 H 1 6.945 0.010 . 1 . . . A 86 ASN HD22 . 17828 1 1060 . 1 1 86 86 ASN C C 13 175.451 0.200 . 1 . . . A 86 ASN C . 17828 1 1061 . 1 1 86 86 ASN CA C 13 53.418 0.200 . 1 . . . A 86 ASN CA . 17828 1 1062 . 1 1 86 86 ASN CB C 13 38.821 0.200 . 1 . . . A 86 ASN CB . 17828 1 1063 . 1 1 86 86 ASN CG C 13 177.084 0.200 . 1 . . . A 86 ASN CG . 17828 1 1064 . 1 1 86 86 ASN N N 15 119.902 0.100 . 1 . . . A 86 ASN N . 17828 1 1065 . 1 1 86 86 ASN ND2 N 15 112.668 0.100 . 1 . . . A 86 ASN ND2 . 17828 1 1066 . 1 1 87 87 THR H H 1 8.131 0.010 . 1 . . . A 87 THR H . 17828 1 1067 . 1 1 87 87 THR HA H 1 4.306 0.010 . 1 . . . A 87 THR HA . 17828 1 1068 . 1 1 87 87 THR HB H 1 4.292 0.010 . 1 . . . A 87 THR HB . 17828 1 1069 . 1 1 87 87 THR HG21 H 1 1.182 0.010 . 1 . . . A 87 THR HG21 . 17828 1 1070 . 1 1 87 87 THR HG22 H 1 1.182 0.010 . 1 . . . A 87 THR HG22 . 17828 1 1071 . 1 1 87 87 THR HG23 H 1 1.182 0.010 . 1 . . . A 87 THR HG23 . 17828 1 1072 . 1 1 87 87 THR C C 13 174.492 0.200 . 1 . . . A 87 THR C . 17828 1 1073 . 1 1 87 87 THR CA C 13 62.025 0.200 . 1 . . . A 87 THR CA . 17828 1 1074 . 1 1 87 87 THR CB C 13 69.679 0.200 . 1 . . . A 87 THR CB . 17828 1 1075 . 1 1 87 87 THR CG2 C 13 21.616 0.200 . 1 . . . A 87 THR CG2 . 17828 1 1076 . 1 1 87 87 THR N N 15 114.204 0.100 . 1 . . . A 87 THR N . 17828 1 1077 . 1 1 88 88 SER H H 1 8.310 0.010 . 1 . . . A 88 SER H . 17828 1 1078 . 1 1 88 88 SER HA H 1 4.498 0.010 . 1 . . . A 88 SER HA . 17828 1 1079 . 1 1 88 88 SER HB2 H 1 3.900 0.010 . 1 . . . A 88 SER HB2 . 17828 1 1080 . 1 1 88 88 SER HB3 H 1 3.900 0.010 . 1 . . . A 88 SER HB3 . 17828 1 1081 . 1 1 88 88 SER C C 13 174.238 0.200 . 1 . . . A 88 SER C . 17828 1 1082 . 1 1 88 88 SER CA C 13 58.503 0.200 . 1 . . . A 88 SER CA . 17828 1 1083 . 1 1 88 88 SER CB C 13 63.837 0.200 . 1 . . . A 88 SER CB . 17828 1 1084 . 1 1 88 88 SER N N 15 117.855 0.100 . 1 . . . A 88 SER N . 17828 1 1085 . 1 1 89 89 LEU H H 1 8.266 0.010 . 1 . . . A 89 LEU H . 17828 1 1086 . 1 1 89 89 LEU HA H 1 4.376 0.010 . 1 . . . A 89 LEU HA . 17828 1 1087 . 1 1 89 89 LEU HB2 H 1 1.621 0.010 . 1 . . . A 89 LEU HB2 . 17828 1 1088 . 1 1 89 89 LEU HB3 H 1 1.621 0.010 . 1 . . . A 89 LEU HB3 . 17828 1 1089 . 1 1 89 89 LEU HG H 1 1.595 0.010 . 1 . . . A 89 LEU HG . 17828 1 1090 . 1 1 89 89 LEU HD11 H 1 0.911 0.010 . 2 . . . A 89 LEU HD11 . 17828 1 1091 . 1 1 89 89 LEU HD12 H 1 0.911 0.010 . 2 . . . A 89 LEU HD12 . 17828 1 1092 . 1 1 89 89 LEU HD13 H 1 0.911 0.010 . 2 . . . A 89 LEU HD13 . 17828 1 1093 . 1 1 89 89 LEU HD21 H 1 0.847 0.010 . 2 . . . A 89 LEU HD21 . 17828 1 1094 . 1 1 89 89 LEU HD22 H 1 0.847 0.010 . 2 . . . A 89 LEU HD22 . 17828 1 1095 . 1 1 89 89 LEU HD23 H 1 0.847 0.010 . 2 . . . A 89 LEU HD23 . 17828 1 1096 . 1 1 89 89 LEU C C 13 176.159 0.200 . 1 . . . A 89 LEU C . 17828 1 1097 . 1 1 89 89 LEU CA C 13 55.251 0.200 . 1 . . . A 89 LEU CA . 17828 1 1098 . 1 1 89 89 LEU CB C 13 42.462 0.200 . 1 . . . A 89 LEU CB . 17828 1 1099 . 1 1 89 89 LEU CG C 13 27.071 0.200 . 1 . . . A 89 LEU CG . 17828 1 1100 . 1 1 89 89 LEU CD1 C 13 25.298 0.200 . 2 . . . A 89 LEU CD1 . 17828 1 1101 . 1 1 89 89 LEU CD2 C 13 23.446 0.200 . 2 . . . A 89 LEU CD2 . 17828 1 1102 . 1 1 89 89 LEU N N 15 124.161 0.100 . 1 . . . A 89 LEU N . 17828 1 1103 . 1 1 90 90 ASN H H 1 7.917 0.010 . 1 . . . A 90 ASN H . 17828 1 1104 . 1 1 90 90 ASN HA H 1 4.451 0.010 . 1 . . . A 90 ASN HA . 17828 1 1105 . 1 1 90 90 ASN HB2 H 1 2.659 0.010 . 2 . . . A 90 ASN HB2 . 17828 1 1106 . 1 1 90 90 ASN HB3 H 1 2.762 0.010 . 2 . . . A 90 ASN HB3 . 17828 1 1107 . 1 1 90 90 ASN HD21 H 1 7.487 0.010 . 1 . . . A 90 ASN HD21 . 17828 1 1108 . 1 1 90 90 ASN HD22 H 1 6.797 0.010 . 1 . . . A 90 ASN HD22 . 17828 1 1109 . 1 1 90 90 ASN C C 13 179.348 0.200 . 1 . . . A 90 ASN C . 17828 1 1110 . 1 1 90 90 ASN CA C 13 54.751 0.200 . 1 . . . A 90 ASN CA . 17828 1 1111 . 1 1 90 90 ASN CB C 13 40.499 0.200 . 1 . . . A 90 ASN CB . 17828 1 1112 . 1 1 90 90 ASN CG C 13 178.265 0.200 . 1 . . . A 90 ASN CG . 17828 1 1113 . 1 1 90 90 ASN N N 15 124.033 0.100 . 1 . . . A 90 ASN N . 17828 1 1114 . 1 1 90 90 ASN ND2 N 15 112.648 0.100 . 1 . . . A 90 ASN ND2 . 17828 1 stop_ save_