data_19497 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19497 _Entry.Title ; calcium-free V6 domain of villin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-09-16 _Entry.Accession_date 2013-09-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Smirnov Serge . . . 19497 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' . 19497 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN . 19497 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19497 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 321 19497 '15N chemical shifts' 100 19497 '1H chemical shifts' 384 19497 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 . . 2014-07-22 2013-09-16 update author 'withdraw the PDB entry 2MDO (RCSB103511)' 19497 1 . . 2014-04-15 2013-09-16 original author 'original release' 19497 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19497 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24070253 _Citation.Full_citation . _Citation.Title 'Gelsolin-like activation of villin: calcium sensitivity of the long helix in domain 6.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 52 _Citation.Journal_issue 45 _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 7890 _Citation.Page_last 7900 _Citation.Year 2013 _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 Stanislav Fedechkin . O. . 19497 1 2 Jacob Brockerman . . . 19497 1 3 Danielle Pfaff . A. . 19497 1 4 Lucian Burns . . . 19497 1 5 Terry Webb . . . 19497 1 6 Alexander Nelson . . . 19497 1 7 Fengli Zhang . . . 19497 1 8 Anton Sabantsev . V. . 19497 1 9 Alexey Melnikov . S. . 19497 1 10 'C. James' McKnight . . . 19497 1 11 Serge Smirnov . L. . 19497 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19497 _Assembly.ID 1 _Assembly.Name 'Ca free domain 6 of villin' _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 'Ca free domain 6 of villin' 1 $Villin_domain_6 A . yes native no no . . . 19497 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2mdo . . 'solution NMR' . . . 19497 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Villin_domain_6 _Entity.Sf_category entity _Entity.Sf_framecode Villin_domain_6 _Entity.Entry_ID 19497 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Villin_domain_6 _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 ; PRLFECSNKTGRFLATEIVD FTQDDLDENDVYLLDTWDQI FFWIGKGANESEKEAAAETA QEYLRSHPGSRDLDTPIIVV KQGFEPPTFTGWFMAWDPLC WSDRKSY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12427.814 _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 15097 . D6-HP . . . . . 100.00 208 100.00 100.00 7.41e-73 . . . . 19497 1 2 no BMRB 18046 . D6 . . . . . 100.00 107 100.00 100.00 1.64e-72 . . . . 19497 1 3 no PDB 2LLF . "Sixth Gelsolin-like Domain Of Villin In 5 Mm Cacl2" . . . . . 99.07 107 100.00 100.00 1.63e-71 . . . . 19497 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 1 PRO . 19497 1 2 2 ARG . 19497 1 3 3 LEU . 19497 1 4 4 PHE . 19497 1 5 5 GLU . 19497 1 6 6 CYS . 19497 1 7 7 SER . 19497 1 8 8 ASN . 19497 1 9 9 LYS . 19497 1 10 10 THR . 19497 1 11 11 GLY . 19497 1 12 12 ARG . 19497 1 13 13 PHE . 19497 1 14 14 LEU . 19497 1 15 15 ALA . 19497 1 16 16 THR . 19497 1 17 17 GLU . 19497 1 18 18 ILE . 19497 1 19 19 VAL . 19497 1 20 20 ASP . 19497 1 21 21 PHE . 19497 1 22 22 THR . 19497 1 23 23 GLN . 19497 1 24 24 ASP . 19497 1 25 25 ASP . 19497 1 26 26 LEU . 19497 1 27 27 ASP . 19497 1 28 28 GLU . 19497 1 29 29 ASN . 19497 1 30 30 ASP . 19497 1 31 31 VAL . 19497 1 32 32 TYR . 19497 1 33 33 LEU . 19497 1 34 34 LEU . 19497 1 35 35 ASP . 19497 1 36 36 THR . 19497 1 37 37 TRP . 19497 1 38 38 ASP . 19497 1 39 39 GLN . 19497 1 40 40 ILE . 19497 1 41 41 PHE . 19497 1 42 42 PHE . 19497 1 43 43 TRP . 19497 1 44 44 ILE . 19497 1 45 45 GLY . 19497 1 46 46 LYS . 19497 1 47 47 GLY . 19497 1 48 48 ALA . 19497 1 49 49 ASN . 19497 1 50 50 GLU . 19497 1 51 51 SER . 19497 1 52 52 GLU . 19497 1 53 53 LYS . 19497 1 54 54 GLU . 19497 1 55 55 ALA . 19497 1 56 56 ALA . 19497 1 57 57 ALA . 19497 1 58 58 GLU . 19497 1 59 59 THR . 19497 1 60 60 ALA . 19497 1 61 61 GLN . 19497 1 62 62 GLU . 19497 1 63 63 TYR . 19497 1 64 64 LEU . 19497 1 65 65 ARG . 19497 1 66 66 SER . 19497 1 67 67 HIS . 19497 1 68 68 PRO . 19497 1 69 69 GLY . 19497 1 70 70 SER . 19497 1 71 71 ARG . 19497 1 72 72 ASP . 19497 1 73 73 LEU . 19497 1 74 74 ASP . 19497 1 75 75 THR . 19497 1 76 76 PRO . 19497 1 77 77 ILE . 19497 1 78 78 ILE . 19497 1 79 79 VAL . 19497 1 80 80 VAL . 19497 1 81 81 LYS . 19497 1 82 82 GLN . 19497 1 83 83 GLY . 19497 1 84 84 PHE . 19497 1 85 85 GLU . 19497 1 86 86 PRO . 19497 1 87 87 PRO . 19497 1 88 88 THR . 19497 1 89 89 PHE . 19497 1 90 90 THR . 19497 1 91 91 GLY . 19497 1 92 92 TRP . 19497 1 93 93 PHE . 19497 1 94 94 MET . 19497 1 95 95 ALA . 19497 1 96 96 TRP . 19497 1 97 97 ASP . 19497 1 98 98 PRO . 19497 1 99 99 LEU . 19497 1 100 100 CYS . 19497 1 101 101 TRP . 19497 1 102 102 SER . 19497 1 103 103 ASP . 19497 1 104 104 ARG . 19497 1 105 105 LYS . 19497 1 106 106 SER . 19497 1 107 107 TYR . 19497 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 . PRO 1 1 19497 1 . ARG 2 2 19497 1 . LEU 3 3 19497 1 . PHE 4 4 19497 1 . GLU 5 5 19497 1 . CYS 6 6 19497 1 . SER 7 7 19497 1 . ASN 8 8 19497 1 . LYS 9 9 19497 1 . THR 10 10 19497 1 . GLY 11 11 19497 1 . ARG 12 12 19497 1 . PHE 13 13 19497 1 . LEU 14 14 19497 1 . ALA 15 15 19497 1 . THR 16 16 19497 1 . GLU 17 17 19497 1 . ILE 18 18 19497 1 . VAL 19 19 19497 1 . ASP 20 20 19497 1 . PHE 21 21 19497 1 . THR 22 22 19497 1 . GLN 23 23 19497 1 . ASP 24 24 19497 1 . ASP 25 25 19497 1 . LEU 26 26 19497 1 . ASP 27 27 19497 1 . GLU 28 28 19497 1 . ASN 29 29 19497 1 . ASP 30 30 19497 1 . VAL 31 31 19497 1 . TYR 32 32 19497 1 . LEU 33 33 19497 1 . LEU 34 34 19497 1 . ASP 35 35 19497 1 . THR 36 36 19497 1 . TRP 37 37 19497 1 . ASP 38 38 19497 1 . GLN 39 39 19497 1 . ILE 40 40 19497 1 . PHE 41 41 19497 1 . PHE 42 42 19497 1 . TRP 43 43 19497 1 . ILE 44 44 19497 1 . GLY 45 45 19497 1 . LYS 46 46 19497 1 . GLY 47 47 19497 1 . ALA 48 48 19497 1 . ASN 49 49 19497 1 . GLU 50 50 19497 1 . SER 51 51 19497 1 . GLU 52 52 19497 1 . LYS 53 53 19497 1 . GLU 54 54 19497 1 . ALA 55 55 19497 1 . ALA 56 56 19497 1 . ALA 57 57 19497 1 . GLU 58 58 19497 1 . THR 59 59 19497 1 . ALA 60 60 19497 1 . GLN 61 61 19497 1 . GLU 62 62 19497 1 . TYR 63 63 19497 1 . LEU 64 64 19497 1 . ARG 65 65 19497 1 . SER 66 66 19497 1 . HIS 67 67 19497 1 . PRO 68 68 19497 1 . GLY 69 69 19497 1 . SER 70 70 19497 1 . ARG 71 71 19497 1 . ASP 72 72 19497 1 . LEU 73 73 19497 1 . ASP 74 74 19497 1 . THR 75 75 19497 1 . PRO 76 76 19497 1 . ILE 77 77 19497 1 . ILE 78 78 19497 1 . VAL 79 79 19497 1 . VAL 80 80 19497 1 . LYS 81 81 19497 1 . GLN 82 82 19497 1 . GLY 83 83 19497 1 . PHE 84 84 19497 1 . GLU 85 85 19497 1 . PRO 86 86 19497 1 . PRO 87 87 19497 1 . THR 88 88 19497 1 . PHE 89 89 19497 1 . THR 90 90 19497 1 . GLY 91 91 19497 1 . TRP 92 92 19497 1 . PHE 93 93 19497 1 . MET 94 94 19497 1 . ALA 95 95 19497 1 . TRP 96 96 19497 1 . ASP 97 97 19497 1 . PRO 98 98 19497 1 . LEU 99 99 19497 1 . CYS 100 100 19497 1 . TRP 101 101 19497 1 . SER 102 102 19497 1 . ASP 103 103 19497 1 . ARG 104 104 19497 1 . LYS 105 105 19497 1 . SER 106 106 19497 1 . TYR 107 107 19497 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 19497 _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 $Villin_domain_6 . 9031 organism . 'Gallus gallus' chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 19497 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 19497 _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 $Villin_domain_6 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET24a . . . . . . 19497 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19497 _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 'Villin domain 6' '[U-95% 13C; U-95% 15N]' . . 1 $Villin_domain_6 . . 0.5 . . mM . . . . 19497 1 2 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 19497 1 3 PIPES '[U-99% 2H]' . . . . . . 20 . . mM . . . . 19497 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19497 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19497 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19497 1 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 19497 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pH 19497 1 pressure 1 . atm 19497 1 temperature 273 . K 19497 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19497 _Software.ID 1 _Software.Name VNMRJ _Software.Version 2.2C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19497 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19497 1 stop_ save_ save_ADAPT-NMR _Software.Sf_category software _Software.Sf_framecode ADAPT-NMR _Software.Entry_ID 19497 _Software.ID 2 _Software.Name ADAPT-NMR _Software.Version 2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee W, Hu K, Tonelli M, Bahrami A, Neuhardt E, Glass KC, Markley JL' . . 19497 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19497 2 'peak picking' 19497 2 stop_ save_ save_CS23D _Software.Sf_category software _Software.Sf_framecode CS23D _Software.Entry_ID 19497 _Software.ID 3 _Software.Name CS23D _Software.Version 2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Wishart DS, Arndt D, Berjanskii M, Tang P, Zhou J, Lin G.' . . 19497 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19497 3 stop_ save_ save_Chiron _Software.Sf_category software _Software.Sf_framecode Chiron _Software.Entry_ID 19497 _Software.ID 4 _Software.Name Chiron _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Ramachandran, S., Kota, P., Ding, F. and Dokholyan, N. V.' . . 19497 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19497 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19497 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19497 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19497 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19497 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model DirectDrive _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19497 _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 DirectDrive . 700 . . . 19497 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 19497 _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 . . . . . . . . . . . . . . . . 19497 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19497 1 3 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19497 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19497 1 5 '3D HNCB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19497 1 6 '3D HACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19497 1 7 '3D CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19497 1 8 '3D HNCOCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19497 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19497 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 19497 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.6 internal indirect 1 . . . . . . . . . 19497 1 H 1 water protons . . . . ppm 4.6 internal direct 1 . . . . . . . . . 19497 1 N 15 water protons . . . . ppm 4.6 internal indirect 1 . . . . . . . . . 19497 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 19497 _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' . . . 19497 1 2 '3D HNCO' . . . 19497 1 3 '3D HBHA(CO)NH' . . . 19497 1 4 '3D HNCA' . . . 19497 1 5 '3D HNCB' . . . 19497 1 6 '3D HACONH' . . . 19497 1 7 '3D CBCACONH' . . . 19497 1 8 '3D HNCOCA' . . . 19497 1 9 '2D 1H-13C HSQC' . . . 19497 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO HA H 1 4.400 0.020 . 1 . . . A 1 PRO HA . 19497 1 2 . 1 1 1 1 PRO HB2 H 1 1.500 0.020 . 2 . . . A 1 PRO HB2 . 19497 1 3 . 1 1 1 1 PRO HB3 H 1 1.950 0.020 . 2 . . . A 1 PRO HB3 . 19497 1 4 . 1 1 1 1 PRO C C 13 171.275 0.20 . 1 . . . A 1 PRO C . 19497 1 5 . 1 1 1 1 PRO CA C 13 62.400 0.200 . 1 . . . A 1 PRO CA . 19497 1 6 . 1 1 1 1 PRO CB C 13 31.900 0.200 . 1 . . . A 1 PRO CB . 19497 1 7 . 1 1 2 2 ARG H H 1 7.766 0.02 . 1 . . . A 2 ARG H . 19497 1 8 . 1 1 2 2 ARG HA H 1 4.830 0.020 . 1 . . . A 2 ARG HA . 19497 1 9 . 1 1 2 2 ARG HB2 H 1 1.810 0.020 . 2 . . . A 2 ARG HB2 . 19497 1 10 . 1 1 2 2 ARG HB3 H 1 1.620 0.020 . 2 . . . A 2 ARG HB3 . 19497 1 11 . 1 1 2 2 ARG C C 13 172.315 0.20 . 1 . . . A 2 ARG C . 19497 1 12 . 1 1 2 2 ARG CA C 13 55.100 0.200 . 1 . . . A 2 ARG CA . 19497 1 13 . 1 1 2 2 ARG CB C 13 29.000 0.200 . 1 . . . A 2 ARG CB . 19497 1 14 . 1 1 2 2 ARG CD C 13 43.300 0.200 . 1 . . . A 2 ARG CD . 19497 1 15 . 1 1 2 2 ARG N N 15 117.187 0.20 . 1 . . . A 2 ARG N . 19497 1 16 . 1 1 3 3 LEU H H 1 8.246 0.02 . 1 . . . A 3 LEU H . 19497 1 17 . 1 1 3 3 LEU HA H 1 4.970 0.020 . 1 . . . A 3 LEU HA . 19497 1 18 . 1 1 3 3 LEU HB2 H 1 1.140 0.020 . 2 . . . A 3 LEU HB2 . 19497 1 19 . 1 1 3 3 LEU HB3 H 1 1.140 0.020 . 2 . . . A 3 LEU HB3 . 19497 1 20 . 1 1 3 3 LEU C C 13 173.996 0.20 . 1 . . . A 3 LEU C . 19497 1 21 . 1 1 3 3 LEU CA C 13 52.600 0.200 . 1 . . . A 3 LEU CA . 19497 1 22 . 1 1 3 3 LEU CB C 13 45.100 0.200 . 1 . . . A 3 LEU CB . 19497 1 23 . 1 1 3 3 LEU N N 15 125.426 0.20 . 1 . . . A 3 LEU N . 19497 1 24 . 1 1 4 4 PHE H H 1 9.390 0.02 . 1 . . . A 4 PHE H . 19497 1 25 . 1 1 4 4 PHE HA H 1 5.030 0.020 . 1 . . . A 4 PHE HA . 19497 1 26 . 1 1 4 4 PHE C C 13 175.512 0.20 . 1 . . . A 4 PHE C . 19497 1 27 . 1 1 4 4 PHE CA C 13 55.700 0.200 . 1 . . . A 4 PHE CA . 19497 1 28 . 1 1 4 4 PHE CB C 13 41.800 0.200 . 1 . . . A 4 PHE CB . 19497 1 29 . 1 1 4 4 PHE N N 15 122.682 0.20 . 1 . . . A 4 PHE N . 19497 1 30 . 1 1 5 5 GLU H H 1 9.190 0.02 . 1 . . . A 5 GLU H . 19497 1 31 . 1 1 5 5 GLU HA H 1 4.260 0.020 . 1 . . . A 5 GLU HA . 19497 1 32 . 1 1 5 5 GLU HB2 H 1 1.910 0.020 . 2 . . . A 5 GLU HB2 . 19497 1 33 . 1 1 5 5 GLU HB3 H 1 1.960 0.020 . 2 . . . A 5 GLU HB3 . 19497 1 34 . 1 1 5 5 GLU C C 13 175.679 0.20 . 1 . . . A 5 GLU C . 19497 1 35 . 1 1 5 5 GLU CA C 13 56.400 0.200 . 1 . . . A 5 GLU CA . 19497 1 36 . 1 1 5 5 GLU CB C 13 29.400 0.200 . 1 . . . A 5 GLU CB . 19497 1 37 . 1 1 5 5 GLU N N 15 125.826 0.20 . 1 . . . A 5 GLU N . 19497 1 38 . 1 1 6 6 CYS H H 1 8.158 0.02 . 1 . . . A 6 CYS H . 19497 1 39 . 1 1 6 6 CYS HA H 1 4.880 0.020 . 1 . . . A 6 CYS HA . 19497 1 40 . 1 1 6 6 CYS HB2 H 1 3.080 0.020 . 2 . . . A 6 CYS HB2 . 19497 1 41 . 1 1 6 6 CYS HB3 H 1 3.280 0.020 . 2 . . . A 6 CYS HB3 . 19497 1 42 . 1 1 6 6 CYS C C 13 175.738 0.20 . 1 . . . A 6 CYS C . 19497 1 43 . 1 1 6 6 CYS CA C 13 56.100 0.200 . 1 . . . A 6 CYS CA . 19497 1 44 . 1 1 6 6 CYS CB C 13 28.200 0.200 . 1 . . . A 6 CYS CB . 19497 1 45 . 1 1 6 6 CYS N N 15 121.540 0.20 . 1 . . . A 6 CYS N . 19497 1 46 . 1 1 7 7 SER H H 1 7.734 0.02 . 1 . . . A 7 SER H . 19497 1 47 . 1 1 7 7 SER HA H 1 4.370 0.020 . 1 . . . A 7 SER HA . 19497 1 48 . 1 1 7 7 SER HB2 H 1 3.970 0.020 . 2 . . . A 7 SER HB2 . 19497 1 49 . 1 1 7 7 SER HB3 H 1 3.770 0.020 . 2 . . . A 7 SER HB3 . 19497 1 50 . 1 1 7 7 SER C C 13 173.277 0.20 . 1 . . . A 7 SER C . 19497 1 51 . 1 1 7 7 SER CA C 13 58.300 0.200 . 1 . . . A 7 SER CA . 19497 1 52 . 1 1 7 7 SER CB C 13 64.300 0.200 . 1 . . . A 7 SER CB . 19497 1 53 . 1 1 7 7 SER N N 15 116.299 0.20 . 1 . . . A 7 SER N . 19497 1 54 . 1 1 8 8 ASN H H 1 8.006 0.02 . 1 . . . A 8 ASN H . 19497 1 55 . 1 1 8 8 ASN HA H 1 3.780 0.020 . 1 . . . A 8 ASN HA . 19497 1 56 . 1 1 8 8 ASN HB2 H 1 2.500 0.020 . 2 . . . A 8 ASN HB2 . 19497 1 57 . 1 1 8 8 ASN HB3 H 1 1.930 0.020 . 2 . . . A 8 ASN HB3 . 19497 1 58 . 1 1 8 8 ASN C C 13 177.812 0.20 . 1 . . . A 8 ASN C . 19497 1 59 . 1 1 8 8 ASN CA C 13 55.900 0.200 . 1 . . . A 8 ASN CA . 19497 1 60 . 1 1 8 8 ASN CB C 13 39.200 0.200 . 1 . . . A 8 ASN CB . 19497 1 61 . 1 1 8 8 ASN N N 15 127.642 0.20 . 1 . . . A 8 ASN N . 19497 1 62 . 1 1 9 9 LYS H H 1 8.350 0.02 . 1 . . . A 9 LYS H . 19497 1 63 . 1 1 9 9 LYS HA H 1 4.030 0.020 . 1 . . . A 9 LYS HA . 19497 1 64 . 1 1 9 9 LYS HB2 H 1 1.800 0.020 . 2 . . . A 9 LYS HB2 . 19497 1 65 . 1 1 9 9 LYS HB3 H 1 1.780 0.020 . 2 . . . A 9 LYS HB3 . 19497 1 66 . 1 1 9 9 LYS HD2 H 1 1.660 0.020 . 2 . . . A 9 LYS HD2 . 19497 1 67 . 1 1 9 9 LYS HD3 H 1 1.710 0.020 . 2 . . . A 9 LYS HD3 . 19497 1 68 . 1 1 9 9 LYS HE2 H 1 2.970 0.020 . 2 . . . A 9 LYS HE2 . 19497 1 69 . 1 1 9 9 LYS HE3 H 1 3.010 0.020 . 2 . . . A 9 LYS HE3 . 19497 1 70 . 1 1 9 9 LYS C C 13 177.932 0.20 . 1 . . . A 9 LYS C . 19497 1 71 . 1 1 9 9 LYS CA C 13 59.300 0.200 . 1 . . . A 9 LYS CA . 19497 1 72 . 1 1 9 9 LYS CB C 13 32.400 0.200 . 1 . . . A 9 LYS CB . 19497 1 73 . 1 1 9 9 LYS CE C 13 42.100 0.200 . 1 . . . A 9 LYS CE . 19497 1 74 . 1 1 9 9 LYS N N 15 122.472 0.20 . 1 . . . A 9 LYS N . 19497 1 75 . 1 1 10 10 THR H H 1 8.486 0.02 . 1 . . . A 10 THR H . 19497 1 76 . 1 1 10 10 THR HA H 1 4.270 0.020 . 1 . . . A 10 THR HA . 19497 1 77 . 1 1 10 10 THR HB H 1 3.860 0.020 . 1 . . . A 10 THR HB . 19497 1 78 . 1 1 10 10 THR C C 13 175.241 0.20 . 1 . . . A 10 THR C . 19497 1 79 . 1 1 10 10 THR CA C 13 62.400 0.200 . 1 . . . A 10 THR CA . 19497 1 80 . 1 1 10 10 THR CB C 13 69.700 0.200 . 1 . . . A 10 THR CB . 19497 1 81 . 1 1 10 10 THR N N 15 109.478 0.20 . 1 . . . A 10 THR N . 19497 1 82 . 1 1 11 11 GLY H H 1 8.014 0.02 . 1 . . . A 11 GLY H . 19497 1 83 . 1 1 11 11 GLY HA2 H 1 4.290 0.020 . 2 . . . A 11 GLY HA2 . 19497 1 84 . 1 1 11 11 GLY HA3 H 1 3.500 0.020 . 2 . . . A 11 GLY HA3 . 19497 1 85 . 1 1 11 11 GLY C C 13 172.717 0.20 . 1 . . . A 11 GLY C . 19497 1 86 . 1 1 11 11 GLY CA C 13 44.700 0.200 . 1 . . . A 11 GLY CA . 19497 1 87 . 1 1 11 11 GLY N N 15 110.146 0.20 . 1 . . . A 11 GLY N . 19497 1 88 . 1 1 12 12 ARG H H 1 7.342 0.02 . 1 . . . A 12 ARG H . 19497 1 89 . 1 1 12 12 ARG HA H 1 4.440 0.020 . 1 . . . A 12 ARG HA . 19497 1 90 . 1 1 12 12 ARG HB2 H 1 1.650 0.020 . 2 . . . A 12 ARG HB2 . 19497 1 91 . 1 1 12 12 ARG HB3 H 1 1.540 0.020 . 2 . . . A 12 ARG HB3 . 19497 1 92 . 1 1 12 12 ARG C C 13 173.660 0.20 . 1 . . . A 12 ARG C . 19497 1 93 . 1 1 12 12 ARG CA C 13 53.800 0.200 . 1 . . . A 12 ARG CA . 19497 1 94 . 1 1 12 12 ARG CB C 13 32.400 0.200 . 1 . . . A 12 ARG CB . 19497 1 95 . 1 1 12 12 ARG CD C 13 43.300 0.200 . 1 . . . A 12 ARG CD . 19497 1 96 . 1 1 12 12 ARG N N 15 117.911 0.20 . 1 . . . A 12 ARG N . 19497 1 97 . 1 1 13 13 PHE H H 1 8.462 0.02 . 1 . . . A 13 PHE H . 19497 1 98 . 1 1 13 13 PHE HA H 1 4.450 0.020 . 1 . . . A 13 PHE HA . 19497 1 99 . 1 1 13 13 PHE HB2 H 1 3.030 0.020 . 2 . . . A 13 PHE HB2 . 19497 1 100 . 1 1 13 13 PHE HB3 H 1 2.710 0.020 . 2 . . . A 13 PHE HB3 . 19497 1 101 . 1 1 13 13 PHE C C 13 174.525 0.20 . 1 . . . A 13 PHE C . 19497 1 102 . 1 1 13 13 PHE CA C 13 58.700 0.200 . 1 . . . A 13 PHE CA . 19497 1 103 . 1 1 13 13 PHE CB C 13 38.900 0.200 . 1 . . . A 13 PHE CB . 19497 1 104 . 1 1 13 13 PHE N N 15 122.082 0.20 . 1 . . . A 13 PHE N . 19497 1 105 . 1 1 14 14 LEU H H 1 8.054 0.02 . 1 . . . A 14 LEU H . 19497 1 106 . 1 1 14 14 LEU HA H 1 4.150 0.020 . 1 . . . A 14 LEU HA . 19497 1 107 . 1 1 14 14 LEU HB2 H 1 1.270 0.020 . 2 . . . A 14 LEU HB2 . 19497 1 108 . 1 1 14 14 LEU HB3 H 1 1.670 0.020 . 2 . . . A 14 LEU HB3 . 19497 1 109 . 1 1 14 14 LEU C C 13 174.071 0.20 . 1 . . . A 14 LEU C . 19497 1 110 . 1 1 14 14 LEU CA C 13 54.100 0.200 . 1 . . . A 14 LEU CA . 19497 1 111 . 1 1 14 14 LEU CB C 13 45.500 0.200 . 1 . . . A 14 LEU CB . 19497 1 112 . 1 1 14 14 LEU N N 15 129.559 0.20 . 1 . . . A 14 LEU N . 19497 1 113 . 1 1 15 15 ALA H H 1 8.190 0.02 . 1 . . . A 15 ALA H . 19497 1 114 . 1 1 15 15 ALA HA H 1 4.170 0.020 . 1 . . . A 15 ALA HA . 19497 1 115 . 1 1 15 15 ALA HB1 H 1 1.090 0.020 . 1 . . . A 15 ALA HB . 19497 1 116 . 1 1 15 15 ALA HB2 H 1 1.090 0.020 . 1 . . . A 15 ALA HB . 19497 1 117 . 1 1 15 15 ALA HB3 H 1 1.090 0.020 . 1 . . . A 15 ALA HB . 19497 1 118 . 1 1 15 15 ALA C C 13 176.826 0.20 . 1 . . . A 15 ALA C . 19497 1 119 . 1 1 15 15 ALA CA C 13 49.900 0.200 . 1 . . . A 15 ALA CA . 19497 1 120 . 1 1 15 15 ALA CB C 13 20.300 0.200 . 1 . . . A 15 ALA CB . 19497 1 121 . 1 1 15 15 ALA N N 15 126.873 0.20 . 1 . . . A 15 ALA N . 19497 1 122 . 1 1 16 16 THR H H 1 9.014 0.02 . 1 . . . A 16 THR H . 19497 1 123 . 1 1 16 16 THR HA H 1 4.470 0.020 . 1 . . . A 16 THR HA . 19497 1 124 . 1 1 16 16 THR HB H 1 3.960 0.020 . 1 . . . A 16 THR HB . 19497 1 125 . 1 1 16 16 THR C C 13 173.449 0.20 . 1 . . . A 16 THR C . 19497 1 126 . 1 1 16 16 THR CA C 13 61.500 0.200 . 1 . . . A 16 THR CA . 19497 1 127 . 1 1 16 16 THR CB C 13 70.500 0.200 . 1 . . . A 16 THR CB . 19497 1 128 . 1 1 16 16 THR N N 15 120.557 0.20 . 1 . . . A 16 THR N . 19497 1 129 . 1 1 17 17 GLU H H 1 9.118 0.02 . 1 . . . A 17 GLU H . 19497 1 130 . 1 1 17 17 GLU HA H 1 3.940 0.020 . 1 . . . A 17 GLU HA . 19497 1 131 . 1 1 17 17 GLU C C 13 175.703 0.20 . 1 . . . A 17 GLU C . 19497 1 132 . 1 1 17 17 GLU CA C 13 56.900 0.200 . 1 . . . A 17 GLU CA . 19497 1 133 . 1 1 17 17 GLU CB C 13 29.200 0.200 . 1 . . . A 17 GLU CB . 19497 1 134 . 1 1 17 17 GLU N N 15 129.862 0.20 . 1 . . . A 17 GLU N . 19497 1 135 . 1 1 18 18 ILE H H 1 8.686 0.02 . 1 . . . A 18 ILE H . 19497 1 136 . 1 1 18 18 ILE HA H 1 4.170 0.020 . 1 . . . A 18 ILE HA . 19497 1 137 . 1 1 18 18 ILE HB H 1 1.670 0.020 . 1 . . . A 18 ILE HB . 19497 1 138 . 1 1 18 18 ILE C C 13 175.994 0.20 . 1 . . . A 18 ILE C . 19497 1 139 . 1 1 18 18 ILE CA C 13 59.600 0.200 . 1 . . . A 18 ILE CA . 19497 1 140 . 1 1 18 18 ILE CB C 13 37.300 0.200 . 1 . . . A 18 ILE CB . 19497 1 141 . 1 1 18 18 ILE CG1 C 13 27.100 0.200 . 1 . . . A 18 ILE CG1 . 19497 1 142 . 1 1 18 18 ILE CG2 C 13 17.400 0.200 . 1 . . . A 18 ILE CG2 . 19497 1 143 . 1 1 18 18 ILE N N 15 128.992 0.20 . 1 . . . A 18 ILE N . 19497 1 144 . 1 1 19 19 VAL H H 1 8.422 0.02 . 1 . . . A 19 VAL H . 19497 1 145 . 1 1 19 19 VAL HA H 1 3.920 0.020 . 1 . . . A 19 VAL HA . 19497 1 146 . 1 1 19 19 VAL HB H 1 1.860 0.020 . 1 . . . A 19 VAL HB . 19497 1 147 . 1 1 19 19 VAL C C 13 175.611 0.20 . 1 . . . A 19 VAL C . 19497 1 148 . 1 1 19 19 VAL CA C 13 62.700 0.200 . 1 . . . A 19 VAL CA . 19497 1 149 . 1 1 19 19 VAL CB C 13 32.000 0.200 . 1 . . . A 19 VAL CB . 19497 1 150 . 1 1 19 19 VAL N N 15 127.812 0.20 . 1 . . . A 19 VAL N . 19497 1 151 . 1 1 20 20 ASP H H 1 8.894 0.02 . 1 . . . A 20 ASP H . 19497 1 152 . 1 1 20 20 ASP HA H 1 4.070 0.020 . 1 . . . A 20 ASP HA . 19497 1 153 . 1 1 20 20 ASP HB2 H 1 2.560 0.020 . 2 . . . A 20 ASP HB2 . 19497 1 154 . 1 1 20 20 ASP HB3 H 1 2.560 0.020 . 2 . . . A 20 ASP HB3 . 19497 1 155 . 1 1 20 20 ASP C C 13 175.669 0.20 . 1 . . . A 20 ASP C . 19497 1 156 . 1 1 20 20 ASP CA C 13 54.900 0.200 . 1 . . . A 20 ASP CA . 19497 1 157 . 1 1 20 20 ASP CB C 13 38.500 0.200 . 1 . . . A 20 ASP CB . 19497 1 158 . 1 1 20 20 ASP N N 15 123.008 0.20 . 1 . . . A 20 ASP N . 19497 1 159 . 1 1 21 21 PHE H H 1 6.261 0.02 . 1 . . . A 21 PHE H . 19497 1 160 . 1 1 21 21 PHE HA H 1 4.480 0.020 . 1 . . . A 21 PHE HA . 19497 1 161 . 1 1 21 21 PHE HB2 H 1 2.720 0.020 . 2 . . . A 21 PHE HB2 . 19497 1 162 . 1 1 21 21 PHE HB3 H 1 2.750 0.020 . 2 . . . A 21 PHE HB3 . 19497 1 163 . 1 1 21 21 PHE C C 13 174.706 0.20 . 1 . . . A 21 PHE C . 19497 1 164 . 1 1 21 21 PHE CA C 13 56.200 0.200 . 1 . . . A 21 PHE CA . 19497 1 165 . 1 1 21 21 PHE CB C 13 41.000 0.200 . 1 . . . A 21 PHE CB . 19497 1 166 . 1 1 21 21 PHE N N 15 112.724 0.20 . 1 . . . A 21 PHE N . 19497 1 167 . 1 1 22 22 THR H H 1 9.422 0.02 . 1 . . . A 22 THR H . 19497 1 168 . 1 1 22 22 THR HA H 1 4.710 0.020 . 1 . . . A 22 THR HA . 19497 1 169 . 1 1 22 22 THR C C 13 175.111 0.20 . 1 . . . A 22 THR C . 19497 1 170 . 1 1 22 22 THR CA C 13 60.100 0.200 . 1 . . . A 22 THR CA . 19497 1 171 . 1 1 22 22 THR N N 15 112.022 0.20 . 1 . . . A 22 THR N . 19497 1 172 . 1 1 23 23 GLN H H 1 9.470 0.02 . 1 . . . A 23 GLN H . 19497 1 173 . 1 1 23 23 GLN HA H 1 3.830 0.020 . 1 . . . A 23 GLN HA . 19497 1 174 . 1 1 23 23 GLN HB2 H 1 1.460 0.020 . 2 . . . A 23 GLN HB2 . 19497 1 175 . 1 1 23 23 GLN HB3 H 1 1.690 0.020 . 2 . . . A 23 GLN HB3 . 19497 1 176 . 1 1 23 23 GLN C C 13 176.564 0.20 . 1 . . . A 23 GLN C . 19497 1 177 . 1 1 23 23 GLN CA C 13 58.600 0.200 . 1 . . . A 23 GLN CA . 19497 1 178 . 1 1 23 23 GLN CB C 13 26.900 0.200 . 1 . . . A 23 GLN CB . 19497 1 179 . 1 1 23 23 GLN N N 15 122.305 0.20 . 1 . . . A 23 GLN N . 19497 1 180 . 1 1 24 24 ASP H H 1 7.534 0.02 . 1 . . . A 24 ASP H . 19497 1 181 . 1 1 24 24 ASP HA H 1 4.050 0.020 . 1 . . . A 24 ASP HA . 19497 1 182 . 1 1 24 24 ASP HB2 H 1 2.810 0.020 . 2 . . . A 24 ASP HB2 . 19497 1 183 . 1 1 24 24 ASP HB3 H 1 2.440 0.020 . 2 . . . A 24 ASP HB3 . 19497 1 184 . 1 1 24 24 ASP C C 13 174.839 0.20 . 1 . . . A 24 ASP C . 19497 1 185 . 1 1 24 24 ASP CA C 13 55.700 0.200 . 1 . . . A 24 ASP CA . 19497 1 186 . 1 1 24 24 ASP CB C 13 40.500 0.200 . 1 . . . A 24 ASP CB . 19497 1 187 . 1 1 24 24 ASP N N 15 114.251 0.20 . 1 . . . A 24 ASP N . 19497 1 188 . 1 1 25 25 ASP H H 1 7.454 0.02 . 1 . . . A 25 ASP H . 19497 1 189 . 1 1 25 25 ASP HA H 1 4.370 0.020 . 1 . . . A 25 ASP HA . 19497 1 190 . 1 1 25 25 ASP HB2 H 1 2.580 0.020 . 2 . . . A 25 ASP HB2 . 19497 1 191 . 1 1 25 25 ASP HB3 H 1 2.430 0.020 . 2 . . . A 25 ASP HB3 . 19497 1 192 . 1 1 25 25 ASP C C 13 176.087 0.20 . 1 . . . A 25 ASP C . 19497 1 193 . 1 1 25 25 ASP CA C 13 54.500 0.200 . 1 . . . A 25 ASP CA . 19497 1 194 . 1 1 25 25 ASP CB C 13 40.600 0.200 . 1 . . . A 25 ASP CB . 19497 1 195 . 1 1 25 25 ASP N N 15 116.046 0.20 . 1 . . . A 25 ASP N . 19497 1 196 . 1 1 26 26 LEU H H 1 8.014 0.02 . 1 . . . A 26 LEU H . 19497 1 197 . 1 1 26 26 LEU HA H 1 4.160 0.020 . 1 . . . A 26 LEU HA . 19497 1 198 . 1 1 26 26 LEU HB2 H 1 1.830 0.020 . 2 . . . A 26 LEU HB2 . 19497 1 199 . 1 1 26 26 LEU HB3 H 1 1.470 0.020 . 2 . . . A 26 LEU HB3 . 19497 1 200 . 1 1 26 26 LEU C C 13 176.343 0.20 . 1 . . . A 26 LEU C . 19497 1 201 . 1 1 26 26 LEU CA C 13 55.000 0.200 . 1 . . . A 26 LEU CA . 19497 1 202 . 1 1 26 26 LEU CB C 13 41.300 0.200 . 1 . . . A 26 LEU CB . 19497 1 203 . 1 1 26 26 LEU N N 15 121.535 0.20 . 1 . . . A 26 LEU N . 19497 1 204 . 1 1 27 27 ASP H H 1 8.326 0.02 . 1 . . . A 27 ASP H . 19497 1 205 . 1 1 27 27 ASP HA H 1 4.570 0.020 . 1 . . . A 27 ASP HA . 19497 1 206 . 1 1 27 27 ASP HB2 H 1 4.600 0.020 . 2 . . . A 27 ASP HB2 . 19497 1 207 . 1 1 27 27 ASP HB3 H 1 2.490 0.020 . 2 . . . A 27 ASP HB3 . 19497 1 208 . 1 1 27 27 ASP C C 13 176.947 0.20 . 1 . . . A 27 ASP C . 19497 1 209 . 1 1 27 27 ASP CA C 13 54.000 0.200 . 1 . . . A 27 ASP CA . 19497 1 210 . 1 1 27 27 ASP CB C 13 43.400 0.200 . 1 . . . A 27 ASP CB . 19497 1 211 . 1 1 27 27 ASP N N 15 127.804 0.20 . 1 . . . A 27 ASP N . 19497 1 212 . 1 1 28 28 GLU H H 1 8.278 0.02 . 1 . . . A 28 GLU H . 19497 1 213 . 1 1 28 28 GLU HA H 1 4.050 0.020 . 1 . . . A 28 GLU HA . 19497 1 214 . 1 1 28 28 GLU HB2 H 1 2.430 0.020 . 2 . . . A 28 GLU HB2 . 19497 1 215 . 1 1 28 28 GLU HB3 H 1 1.590 0.020 . 2 . . . A 28 GLU HB3 . 19497 1 216 . 1 1 28 28 GLU C C 13 176.141 0.20 . 1 . . . A 28 GLU C . 19497 1 217 . 1 1 28 28 GLU CA C 13 54.500 0.200 . 1 . . . A 28 GLU CA . 19497 1 218 . 1 1 28 28 GLU CB C 13 32.700 0.200 . 1 . . . A 28 GLU CB . 19497 1 219 . 1 1 28 28 GLU N N 15 123.641 0.20 . 1 . . . A 28 GLU N . 19497 1 220 . 1 1 29 29 ASN H H 1 8.022 0.02 . 1 . . . A 29 ASN H . 19497 1 221 . 1 1 29 29 ASN HA H 1 4.470 0.020 . 1 . . . A 29 ASN HA . 19497 1 222 . 1 1 29 29 ASN HB2 H 1 3.000 0.020 . 2 . . . A 29 ASN HB2 . 19497 1 223 . 1 1 29 29 ASN HB3 H 1 2.730 0.020 . 2 . . . A 29 ASN HB3 . 19497 1 224 . 1 1 29 29 ASN C C 13 174.383 0.20 . 1 . . . A 29 ASN C . 19497 1 225 . 1 1 29 29 ASN CA C 13 57.300 0.200 . 1 . . . A 29 ASN CA . 19497 1 226 . 1 1 29 29 ASN CB C 13 38.300 0.200 . 1 . . . A 29 ASN CB . 19497 1 227 . 1 1 29 29 ASN N N 15 120.901 0.20 . 1 . . . A 29 ASN N . 19497 1 228 . 1 1 30 30 ASP H H 1 8.142 0.02 . 1 . . . A 30 ASP H . 19497 1 229 . 1 1 30 30 ASP HA H 1 4.990 0.020 . 1 . . . A 30 ASP HA . 19497 1 230 . 1 1 30 30 ASP HB2 H 1 2.420 0.020 . 2 . . . A 30 ASP HB2 . 19497 1 231 . 1 1 30 30 ASP HB3 H 1 3.770 0.020 . 2 . . . A 30 ASP HB3 . 19497 1 232 . 1 1 30 30 ASP C C 13 175.679 0.20 . 1 . . . A 30 ASP C . 19497 1 233 . 1 1 30 30 ASP CA C 13 52.300 0.200 . 1 . . . A 30 ASP CA . 19497 1 234 . 1 1 30 30 ASP CB C 13 41.000 0.200 . 1 . . . A 30 ASP CB . 19497 1 235 . 1 1 30 30 ASP N N 15 125.016 0.20 . 1 . . . A 30 ASP N . 19497 1 236 . 1 1 31 31 VAL H H 1 8.158 0.02 . 1 . . . A 31 VAL H . 19497 1 237 . 1 1 31 31 VAL HA H 1 3.940 0.020 . 1 . . . A 31 VAL HA . 19497 1 238 . 1 1 31 31 VAL HB H 1 1.860 0.020 . 1 . . . A 31 VAL HB . 19497 1 239 . 1 1 31 31 VAL C C 13 175.675 0.20 . 1 . . . A 31 VAL C . 19497 1 240 . 1 1 31 31 VAL CA C 13 62.000 0.200 . 1 . . . A 31 VAL CA . 19497 1 241 . 1 1 31 31 VAL CB C 13 32.800 0.200 . 1 . . . A 31 VAL CB . 19497 1 242 . 1 1 31 31 VAL N N 15 121.540 0.20 . 1 . . . A 31 VAL N . 19497 1 243 . 1 1 32 32 TYR H H 1 8.294 0.02 . 1 . . . A 32 TYR H . 19497 1 244 . 1 1 32 32 TYR HA H 1 5.320 0.020 . 1 . . . A 32 TYR HA . 19497 1 245 . 1 1 32 32 TYR C C 13 173.449 0.20 . 1 . . . A 32 TYR C . 19497 1 246 . 1 1 32 32 TYR CA C 13 56.000 0.200 . 1 . . . A 32 TYR CA . 19497 1 247 . 1 1 32 32 TYR N N 15 126.116 0.20 . 1 . . . A 32 TYR N . 19497 1 248 . 1 1 33 33 LEU H H 1 9.142 0.02 . 1 . . . A 33 LEU H . 19497 1 249 . 1 1 33 33 LEU HA H 1 5.220 0.020 . 1 . . . A 33 LEU HA . 19497 1 250 . 1 1 33 33 LEU C C 13 174.948 0.20 . 1 . . . A 33 LEU C . 19497 1 251 . 1 1 33 33 LEU CA C 13 53.300 0.200 . 1 . . . A 33 LEU CA . 19497 1 252 . 1 1 33 33 LEU CB C 13 45.700 0.200 . 1 . . . A 33 LEU CB . 19497 1 253 . 1 1 33 33 LEU N N 15 121.235 0.20 . 1 . . . A 33 LEU N . 19497 1 254 . 1 1 34 34 LEU H H 1 9.686 0.02 . 1 . . . A 34 LEU H . 19497 1 255 . 1 1 34 34 LEU HA H 1 5.090 0.020 . 1 . . . A 34 LEU HA . 19497 1 256 . 1 1 34 34 LEU C C 13 174.084 0.20 . 1 . . . A 34 LEU C . 19497 1 257 . 1 1 34 34 LEU CA C 13 53.200 0.200 . 1 . . . A 34 LEU CA . 19497 1 258 . 1 1 34 34 LEU CB C 13 44.700 0.200 . 1 . . . A 34 LEU CB . 19497 1 259 . 1 1 34 34 LEU N N 15 127.452 0.20 . 1 . . . A 34 LEU N . 19497 1 260 . 1 1 35 35 ASP H H 1 9.446 0.02 . 1 . . . A 35 ASP H . 19497 1 261 . 1 1 35 35 ASP HA H 1 4.930 0.020 . 1 . . . A 35 ASP HA . 19497 1 262 . 1 1 35 35 ASP HB2 H 1 2.600 0.020 . 2 . . . A 35 ASP HB2 . 19497 1 263 . 1 1 35 35 ASP HB3 H 1 2.480 0.020 . 2 . . . A 35 ASP HB3 . 19497 1 264 . 1 1 35 35 ASP C C 13 177.009 0.20 . 1 . . . A 35 ASP C . 19497 1 265 . 1 1 35 35 ASP CA C 13 52.600 0.200 . 1 . . . A 35 ASP CA . 19497 1 266 . 1 1 35 35 ASP CB C 13 41.400 0.200 . 1 . . . A 35 ASP CB . 19497 1 267 . 1 1 35 35 ASP N N 15 126.977 0.20 . 1 . . . A 35 ASP N . 19497 1 268 . 1 1 36 36 THR H H 1 8.310 0.02 . 1 . . . A 36 THR H . 19497 1 269 . 1 1 36 36 THR HA H 1 4.170 0.020 . 1 . . . A 36 THR HA . 19497 1 270 . 1 1 36 36 THR HB H 1 3.910 0.020 . 1 . . . A 36 THR HB . 19497 1 271 . 1 1 36 36 THR C C 13 175.252 0.20 . 1 . . . A 36 THR C . 19497 1 272 . 1 1 36 36 THR CA C 13 60.500 0.200 . 1 . . . A 36 THR CA . 19497 1 273 . 1 1 36 36 THR CB C 13 68.000 0.200 . 1 . . . A 36 THR CB . 19497 1 274 . 1 1 36 36 THR N N 15 118.735 0.20 . 1 . . . A 36 THR N . 19497 1 275 . 1 1 37 37 TRP H H 1 9.022 0.02 . 1 . . . A 37 TRP H . 19497 1 276 . 1 1 37 37 TRP HA H 1 3.850 0.020 . 1 . . . A 37 TRP HA . 19497 1 277 . 1 1 37 37 TRP HB3 H 1 3.130 0.020 . 2 . . . A 37 TRP HB3 . 19497 1 278 . 1 1 37 37 TRP C C 13 177.189 0.20 . 1 . . . A 37 TRP C . 19497 1 279 . 1 1 37 37 TRP CA C 13 61.500 0.200 . 1 . . . A 37 TRP CA . 19497 1 280 . 1 1 37 37 TRP CB C 13 28.800 0.200 . 1 . . . A 37 TRP CB . 19497 1 281 . 1 1 37 37 TRP N N 15 122.289 0.20 . 1 . . . A 37 TRP N . 19497 1 282 . 1 1 38 38 ASP H H 1 8.518 0.02 . 1 . . . A 38 ASP H . 19497 1 283 . 1 1 38 38 ASP HA H 1 4.200 0.020 . 1 . . . A 38 ASP HA . 19497 1 284 . 1 1 38 38 ASP HB2 H 1 2.540 0.020 . 2 . . . A 38 ASP HB2 . 19497 1 285 . 1 1 38 38 ASP HB3 H 1 2.660 0.020 . 2 . . . A 38 ASP HB3 . 19497 1 286 . 1 1 38 38 ASP C C 13 175.290 0.20 . 1 . . . A 38 ASP C . 19497 1 287 . 1 1 38 38 ASP CA C 13 55.400 0.200 . 1 . . . A 38 ASP CA . 19497 1 288 . 1 1 38 38 ASP CB C 13 41.100 0.200 . 1 . . . A 38 ASP CB . 19497 1 289 . 1 1 38 38 ASP N N 15 117.370 0.20 . 1 . . . A 38 ASP N . 19497 1 290 . 1 1 39 39 GLN H H 1 7.118 0.02 . 1 . . . A 39 GLN H . 19497 1 291 . 1 1 39 39 GLN HA H 1 4.280 0.020 . 1 . . . A 39 GLN HA . 19497 1 292 . 1 1 39 39 GLN HB2 H 1 1.870 0.020 . 2 . . . A 39 GLN HB2 . 19497 1 293 . 1 1 39 39 GLN HB3 H 1 1.430 0.020 . 2 . . . A 39 GLN HB3 . 19497 1 294 . 1 1 39 39 GLN C C 13 173.099 0.20 . 1 . . . A 39 GLN C . 19497 1 295 . 1 1 39 39 GLN CA C 13 54.500 0.200 . 1 . . . A 39 GLN CA . 19497 1 296 . 1 1 39 39 GLN CB C 13 28.900 0.200 . 1 . . . A 39 GLN CB . 19497 1 297 . 1 1 39 39 GLN N N 15 111.522 0.20 . 1 . . . A 39 GLN N . 19497 1 298 . 1 1 40 40 ILE H H 1 8.422 0.02 . 1 . . . A 40 ILE H . 19497 1 299 . 1 1 40 40 ILE HA H 1 4.730 0.020 . 1 . . . A 40 ILE HA . 19497 1 300 . 1 1 40 40 ILE HB H 1 1.740 0.020 . 1 . . . A 40 ILE HB . 19497 1 301 . 1 1 40 40 ILE C C 13 174.406 0.20 . 1 . . . A 40 ILE C . 19497 1 302 . 1 1 40 40 ILE CA C 13 58.900 0.200 . 1 . . . A 40 ILE CA . 19497 1 303 . 1 1 40 40 ILE CB C 13 38.900 0.200 . 1 . . . A 40 ILE CB . 19497 1 304 . 1 1 40 40 ILE CG1 C 13 27.100 0.200 . 1 . . . A 40 ILE CG1 . 19497 1 305 . 1 1 40 40 ILE CG2 C 13 17.400 0.200 . 1 . . . A 40 ILE CG2 . 19497 1 306 . 1 1 40 40 ILE N N 15 121.103 0.20 . 1 . . . A 40 ILE N . 19497 1 307 . 1 1 41 41 PHE H H 1 9.222 0.02 . 1 . . . A 41 PHE H . 19497 1 308 . 1 1 41 41 PHE HA H 1 5.590 0.020 . 1 . . . A 41 PHE HA . 19497 1 309 . 1 1 41 41 PHE HB3 H 1 1.140 0.020 . 2 . . . A 41 PHE HB3 . 19497 1 310 . 1 1 41 41 PHE C C 13 174.537 0.20 . 1 . . . A 41 PHE C . 19497 1 311 . 1 1 41 41 PHE CA C 13 55.900 0.200 . 1 . . . A 41 PHE CA . 19497 1 312 . 1 1 41 41 PHE CB C 13 42.200 0.200 . 1 . . . A 41 PHE CB . 19497 1 313 . 1 1 41 41 PHE N N 15 123.856 0.20 . 1 . . . A 41 PHE N . 19497 1 314 . 1 1 42 42 PHE H H 1 9.358 0.02 . 1 . . . A 42 PHE H . 19497 1 315 . 1 1 42 42 PHE HA H 1 5.430 0.020 . 1 . . . A 42 PHE HA . 19497 1 316 . 1 1 42 42 PHE HB2 H 1 3.110 0.020 . 2 . . . A 42 PHE HB2 . 19497 1 317 . 1 1 42 42 PHE HB3 H 1 2.300 0.020 . 2 . . . A 42 PHE HB3 . 19497 1 318 . 1 1 42 42 PHE C C 13 173.021 0.20 . 1 . . . A 42 PHE C . 19497 1 319 . 1 1 42 42 PHE CA C 13 56.300 0.200 . 1 . . . A 42 PHE CA . 19497 1 320 . 1 1 42 42 PHE CB C 13 42.300 0.200 . 1 . . . A 42 PHE CB . 19497 1 321 . 1 1 42 42 PHE N N 15 127.400 0.20 . 1 . . . A 42 PHE N . 19497 1 322 . 1 1 43 43 TRP H H 1 9.646 0.02 . 1 . . . A 43 TRP H . 19497 1 323 . 1 1 43 43 TRP HA H 1 4.020 0.020 . 1 . . . A 43 TRP HA . 19497 1 324 . 1 1 43 43 TRP HB2 H 1 3.660 0.020 . 2 . . . A 43 TRP HB2 . 19497 1 325 . 1 1 43 43 TRP C C 13 174.538 0.20 . 1 . . . A 43 TRP C . 19497 1 326 . 1 1 43 43 TRP CA C 13 61.600 0.200 . 1 . . . A 43 TRP CA . 19497 1 327 . 1 1 43 43 TRP CB C 13 38.200 0.200 . 1 . . . A 43 TRP CB . 19497 1 328 . 1 1 43 43 TRP N N 15 129.616 0.20 . 1 . . . A 43 TRP N . 19497 1 329 . 1 1 44 44 ILE H H 1 7.838 0.02 . 1 . . . A 44 ILE H . 19497 1 330 . 1 1 44 44 ILE HA H 1 4.000 0.020 . 1 . . . A 44 ILE HA . 19497 1 331 . 1 1 44 44 ILE HB H 1 2.520 0.020 . 1 . . . A 44 ILE HB . 19497 1 332 . 1 1 44 44 ILE C C 13 175.738 0.20 . 1 . . . A 44 ILE C . 19497 1 333 . 1 1 44 44 ILE CA C 13 57.600 0.200 . 1 . . . A 44 ILE CA . 19497 1 334 . 1 1 44 44 ILE CB C 13 39.100 0.200 . 1 . . . A 44 ILE CB . 19497 1 335 . 1 1 44 44 ILE CG1 C 13 27.100 0.200 . 1 . . . A 44 ILE CG1 . 19497 1 336 . 1 1 44 44 ILE CG2 C 13 17.400 0.200 . 1 . . . A 44 ILE CG2 . 19497 1 337 . 1 1 44 44 ILE N N 15 121.402 0.20 . 1 . . . A 44 ILE N . 19497 1 338 . 1 1 45 45 GLY H H 1 7.742 0.02 . 1 . . . A 45 GLY H . 19497 1 339 . 1 1 45 45 GLY HA2 H 1 3.890 0.020 . 2 . . . A 45 GLY HA2 . 19497 1 340 . 1 1 45 45 GLY HA3 H 1 3.770 0.020 . 2 . . . A 45 GLY HA3 . 19497 1 341 . 1 1 45 45 GLY C C 13 175.519 0.20 . 1 . . . A 45 GLY C . 19497 1 342 . 1 1 45 45 GLY CA C 13 46.500 0.200 . 1 . . . A 45 GLY CA . 19497 1 343 . 1 1 45 45 GLY N N 15 114.403 0.20 . 1 . . . A 45 GLY N . 19497 1 344 . 1 1 46 46 LYS H H 1 8.942 0.02 . 1 . . . A 46 LYS H . 19497 1 345 . 1 1 46 46 LYS HA H 1 3.920 0.020 . 1 . . . A 46 LYS HA . 19497 1 346 . 1 1 46 46 LYS HB2 H 1 1.640 0.020 . 2 . . . A 46 LYS HB2 . 19497 1 347 . 1 1 46 46 LYS HB3 H 1 1.460 0.020 . 2 . . . A 46 LYS HB3 . 19497 1 348 . 1 1 46 46 LYS HD2 H 1 1.660 0.020 . 2 . . . A 46 LYS HD2 . 19497 1 349 . 1 1 46 46 LYS HD3 H 1 1.710 0.020 . 2 . . . A 46 LYS HD3 . 19497 1 350 . 1 1 46 46 LYS HE2 H 1 2.970 0.020 . 2 . . . A 46 LYS HE2 . 19497 1 351 . 1 1 46 46 LYS HE3 H 1 3.010 0.020 . 2 . . . A 46 LYS HE3 . 19497 1 352 . 1 1 46 46 LYS C C 13 177.790 0.20 . 1 . . . A 46 LYS C . 19497 1 353 . 1 1 46 46 LYS CA C 13 58.700 0.200 . 1 . . . A 46 LYS CA . 19497 1 354 . 1 1 46 46 LYS CB C 13 32.200 0.200 . 1 . . . A 46 LYS CB . 19497 1 355 . 1 1 46 46 LYS CE C 13 42.100 0.200 . 1 . . . A 46 LYS CE . 19497 1 356 . 1 1 46 46 LYS N N 15 123.585 0.20 . 1 . . . A 46 LYS N . 19497 1 357 . 1 1 47 47 GLY H H 1 8.670 0.02 . 1 . . . A 47 GLY H . 19497 1 358 . 1 1 47 47 GLY HA2 H 1 4.240 0.020 . 2 . . . A 47 GLY HA2 . 19497 1 359 . 1 1 47 47 GLY HA3 H 1 3.570 0.020 . 2 . . . A 47 GLY HA3 . 19497 1 360 . 1 1 47 47 GLY C C 13 174.298 0.20 . 1 . . . A 47 GLY C . 19497 1 361 . 1 1 47 47 GLY CA C 13 44.300 0.200 . 1 . . . A 47 GLY CA . 19497 1 362 . 1 1 47 47 GLY N N 15 107.819 0.20 . 1 . . . A 47 GLY N . 19497 1 363 . 1 1 48 48 ALA H H 1 7.230 0.02 . 1 . . . A 48 ALA H . 19497 1 364 . 1 1 48 48 ALA HA H 1 3.850 0.020 . 1 . . . A 48 ALA HA . 19497 1 365 . 1 1 48 48 ALA HB1 H 1 1.080 0.020 . 1 . . . A 48 ALA HB . 19497 1 366 . 1 1 48 48 ALA HB2 H 1 1.080 0.020 . 1 . . . A 48 ALA HB . 19497 1 367 . 1 1 48 48 ALA HB3 H 1 1.080 0.020 . 1 . . . A 48 ALA HB . 19497 1 368 . 1 1 48 48 ALA C C 13 177.189 0.20 . 1 . . . A 48 ALA C . 19497 1 369 . 1 1 48 48 ALA CA C 13 52.100 0.200 . 1 . . . A 48 ALA CA . 19497 1 370 . 1 1 48 48 ALA CB C 13 19.000 0.200 . 1 . . . A 48 ALA CB . 19497 1 371 . 1 1 48 48 ALA N N 15 123.965 0.20 . 1 . . . A 48 ALA N . 19497 1 372 . 1 1 49 49 ASN H H 1 8.526 0.02 . 1 . . . A 49 ASN H . 19497 1 373 . 1 1 49 49 ASN HA H 1 4.240 0.020 . 1 . . . A 49 ASN HA . 19497 1 374 . 1 1 49 49 ASN HB2 H 1 1.760 0.020 . 2 . . . A 49 ASN HB2 . 19497 1 375 . 1 1 49 49 ASN HB3 H 1 2.550 0.020 . 2 . . . A 49 ASN HB3 . 19497 1 376 . 1 1 49 49 ASN C C 13 175.797 0.20 . 1 . . . A 49 ASN C . 19497 1 377 . 1 1 49 49 ASN CA C 13 54.200 0.200 . 1 . . . A 49 ASN CA . 19497 1 378 . 1 1 49 49 ASN CB C 13 41.100 0.200 . 1 . . . A 49 ASN CB . 19497 1 379 . 1 1 49 49 ASN N N 15 119.667 0.20 . 1 . . . A 49 ASN N . 19497 1 380 . 1 1 50 50 GLU H H 1 7.814 0.02 . 1 . . . A 50 GLU H . 19497 1 381 . 1 1 50 50 GLU HA H 1 3.780 0.020 . 1 . . . A 50 GLU HA . 19497 1 382 . 1 1 50 50 GLU HB2 H 1 2.500 0.020 . 2 . . . A 50 GLU HB2 . 19497 1 383 . 1 1 50 50 GLU HB3 H 1 1.930 0.020 . 2 . . . A 50 GLU HB3 . 19497 1 384 . 1 1 50 50 GLU C C 13 178.128 0.20 . 1 . . . A 50 GLU C . 19497 1 385 . 1 1 50 50 GLU CA C 13 59.600 0.200 . 1 . . . A 50 GLU CA . 19497 1 386 . 1 1 50 50 GLU CB C 13 29.300 0.200 . 1 . . . A 50 GLU CB . 19497 1 387 . 1 1 50 50 GLU N N 15 112.272 0.20 . 1 . . . A 50 GLU N . 19497 1 388 . 1 1 51 51 SER H H 1 8.342 0.02 . 1 . . . A 51 SER H . 19497 1 389 . 1 1 51 51 SER HA H 1 4.240 0.020 . 1 . . . A 51 SER HA . 19497 1 390 . 1 1 51 51 SER HB2 H 1 3.780 0.020 . 2 . . . A 51 SER HB2 . 19497 1 391 . 1 1 51 51 SER HB3 H 1 4.370 0.020 . 2 . . . A 51 SER HB3 . 19497 1 392 . 1 1 51 51 SER C C 13 177.874 0.20 . 1 . . . A 51 SER C . 19497 1 393 . 1 1 51 51 SER CA C 13 61.100 0.200 . 1 . . . A 51 SER CA . 19497 1 394 . 1 1 51 51 SER CB C 13 60.900 0.200 . 1 . . . A 51 SER CB . 19497 1 395 . 1 1 51 51 SER N N 15 113.952 0.20 . 1 . . . A 51 SER N . 19497 1 396 . 1 1 52 52 GLU H H 1 7.806 0.02 . 1 . . . A 52 GLU H . 19497 1 397 . 1 1 52 52 GLU HA H 1 4.160 0.020 . 1 . . . A 52 GLU HA . 19497 1 398 . 1 1 52 52 GLU C C 13 178.827 0.20 . 1 . . . A 52 GLU C . 19497 1 399 . 1 1 52 52 GLU CA C 13 57.900 0.200 . 1 . . . A 52 GLU CA . 19497 1 400 . 1 1 52 52 GLU CB C 13 29.300 0.200 . 1 . . . A 52 GLU CB . 19497 1 401 . 1 1 52 52 GLU N N 15 119.930 0.20 . 1 . . . A 52 GLU N . 19497 1 402 . 1 1 53 53 LYS H H 1 7.670 0.02 . 1 . . . A 53 LYS H . 19497 1 403 . 1 1 53 53 LYS HA H 1 3.770 0.020 . 1 . . . A 53 LYS HA . 19497 1 404 . 1 1 53 53 LYS HB2 H 1 1.820 0.020 . 2 . . . A 53 LYS HB2 . 19497 1 405 . 1 1 53 53 LYS HB3 H 1 1.800 0.020 . 2 . . . A 53 LYS HB3 . 19497 1 406 . 1 1 53 53 LYS HD2 H 1 1.660 0.020 . 2 . . . A 53 LYS HD2 . 19497 1 407 . 1 1 53 53 LYS HD3 H 1 1.710 0.020 . 2 . . . A 53 LYS HD3 . 19497 1 408 . 1 1 53 53 LYS HE2 H 1 2.970 0.020 . 2 . . . A 53 LYS HE2 . 19497 1 409 . 1 1 53 53 LYS HE3 H 1 3.010 0.020 . 2 . . . A 53 LYS HE3 . 19497 1 410 . 1 1 53 53 LYS C C 13 178.802 0.20 . 1 . . . A 53 LYS C . 19497 1 411 . 1 1 53 53 LYS CA C 13 60.000 0.200 . 1 . . . A 53 LYS CA . 19497 1 412 . 1 1 53 53 LYS CB C 13 32.200 0.200 . 1 . . . A 53 LYS CB . 19497 1 413 . 1 1 53 53 LYS CE C 13 42.100 0.200 . 1 . . . A 53 LYS CE . 19497 1 414 . 1 1 53 53 LYS N N 15 118.112 0.20 . 1 . . . A 53 LYS N . 19497 1 415 . 1 1 54 54 GLU H H 1 7.934 0.02 . 1 . . . A 54 GLU H . 19497 1 416 . 1 1 54 54 GLU HA H 1 4.240 0.020 . 1 . . . A 54 GLU HA . 19497 1 417 . 1 1 54 54 GLU HB2 H 1 1.940 0.020 . 2 . . . A 54 GLU HB2 . 19497 1 418 . 1 1 54 54 GLU HB3 H 1 1.940 0.020 . 2 . . . A 54 GLU HB3 . 19497 1 419 . 1 1 54 54 GLU C C 13 177.733 0.20 . 1 . . . A 54 GLU C . 19497 1 420 . 1 1 54 54 GLU CA C 13 58.200 0.200 . 1 . . . A 54 GLU CA . 19497 1 421 . 1 1 54 54 GLU CB C 13 29.300 0.200 . 1 . . . A 54 GLU CB . 19497 1 422 . 1 1 54 54 GLU N N 15 117.700 0.20 . 1 . . . A 54 GLU N . 19497 1 423 . 1 1 55 55 ALA H H 1 7.238 0.02 . 1 . . . A 55 ALA H . 19497 1 424 . 1 1 55 55 ALA CA C 13 52.200 0.200 . 1 . . . A 55 ALA CA . 19497 1 425 . 1 1 55 55 ALA CB C 13 17.200 0.200 . 1 . . . A 55 ALA CB . 19497 1 426 . 1 1 55 55 ALA N N 15 120.395 0.20 . 1 . . . A 55 ALA N . 19497 1 427 . 1 1 56 56 ALA HA H 1 3.250 0.020 . 1 . . . A 56 ALA HA . 19497 1 428 . 1 1 56 56 ALA HB1 H 1 1.050 0.020 . 1 . . . A 56 ALA HB . 19497 1 429 . 1 1 56 56 ALA HB2 H 1 1.050 0.020 . 1 . . . A 56 ALA HB . 19497 1 430 . 1 1 56 56 ALA HB3 H 1 1.050 0.020 . 1 . . . A 56 ALA HB . 19497 1 431 . 1 1 56 56 ALA C C 13 177.526 0.20 . 1 . . . A 56 ALA C . 19497 1 432 . 1 1 56 56 ALA CA C 13 55.600 0.200 . 1 . . . A 56 ALA CA . 19497 1 433 . 1 1 56 56 ALA CB C 13 19.600 0.200 . 1 . . . A 56 ALA CB . 19497 1 434 . 1 1 57 57 ALA H H 1 7.990 0.02 . 1 . . . A 57 ALA H . 19497 1 435 . 1 1 57 57 ALA HA H 1 3.660 0.020 . 1 . . . A 57 ALA HA . 19497 1 436 . 1 1 57 57 ALA HB1 H 1 1.220 0.020 . 1 . . . A 57 ALA HB . 19497 1 437 . 1 1 57 57 ALA HB2 H 1 1.220 0.020 . 1 . . . A 57 ALA HB . 19497 1 438 . 1 1 57 57 ALA HB3 H 1 1.220 0.020 . 1 . . . A 57 ALA HB . 19497 1 439 . 1 1 57 57 ALA C C 13 180.072 0.20 . 1 . . . A 57 ALA C . 19497 1 440 . 1 1 57 57 ALA CA C 13 55.200 0.200 . 1 . . . A 57 ALA CA . 19497 1 441 . 1 1 57 57 ALA CB C 13 17.400 0.200 . 1 . . . A 57 ALA CB . 19497 1 442 . 1 1 57 57 ALA N N 15 117.753 0.20 . 1 . . . A 57 ALA N . 19497 1 443 . 1 1 58 58 GLU H H 1 7.582 0.02 . 1 . . . A 58 GLU H . 19497 1 444 . 1 1 58 58 GLU HA H 1 3.850 0.020 . 1 . . . A 58 GLU HA . 19497 1 445 . 1 1 58 58 GLU HB2 H 1 1.910 0.020 . 2 . . . A 58 GLU HB2 . 19497 1 446 . 1 1 58 58 GLU HB3 H 1 1.870 0.020 . 2 . . . A 58 GLU HB3 . 19497 1 447 . 1 1 58 58 GLU C C 13 179.225 0.20 . 1 . . . A 58 GLU C . 19497 1 448 . 1 1 58 58 GLU CA C 13 59.600 0.200 . 1 . . . A 58 GLU CA . 19497 1 449 . 1 1 58 58 GLU CB C 13 28.900 0.200 . 1 . . . A 58 GLU CB . 19497 1 450 . 1 1 58 58 GLU N N 15 118.444 0.20 . 1 . . . A 58 GLU N . 19497 1 451 . 1 1 59 59 THR H H 1 8.422 0.02 . 1 . . . A 59 THR H . 19497 1 452 . 1 1 59 59 THR HA H 1 3.610 0.020 . 1 . . . A 59 THR HA . 19497 1 453 . 1 1 59 59 THR HB H 1 3.980 0.020 . 1 . . . A 59 THR HB . 19497 1 454 . 1 1 59 59 THR C C 13 175.781 0.20 . 1 . . . A 59 THR C . 19497 1 455 . 1 1 59 59 THR CA C 13 66.200 0.200 . 1 . . . A 59 THR CA . 19497 1 456 . 1 1 59 59 THR CB C 13 67.600 0.200 . 1 . . . A 59 THR CB . 19497 1 457 . 1 1 59 59 THR N N 15 119.842 0.20 . 1 . . . A 59 THR N . 19497 1 458 . 1 1 60 60 ALA H H 1 7.966 0.02 . 1 . . . A 60 ALA H . 19497 1 459 . 1 1 60 60 ALA HA H 1 3.720 0.020 . 1 . . . A 60 ALA HA . 19497 1 460 . 1 1 60 60 ALA HB1 H 1 1.220 0.020 . 1 . . . A 60 ALA HB . 19497 1 461 . 1 1 60 60 ALA HB2 H 1 1.220 0.020 . 1 . . . A 60 ALA HB . 19497 1 462 . 1 1 60 60 ALA HB3 H 1 1.220 0.020 . 1 . . . A 60 ALA HB . 19497 1 463 . 1 1 60 60 ALA C C 13 178.583 0.20 . 1 . . . A 60 ALA C . 19497 1 464 . 1 1 60 60 ALA CA C 13 55.200 0.200 . 1 . . . A 60 ALA CA . 19497 1 465 . 1 1 60 60 ALA CB C 13 18.100 0.200 . 1 . . . A 60 ALA CB . 19497 1 466 . 1 1 60 60 ALA N N 15 122.454 0.20 . 1 . . . A 60 ALA N . 19497 1 467 . 1 1 61 61 GLN H H 1 7.598 0.02 . 1 . . . A 61 GLN H . 19497 1 468 . 1 1 61 61 GLN HA H 1 3.760 0.020 . 1 . . . A 61 GLN HA . 19497 1 469 . 1 1 61 61 GLN HB2 H 1 1.970 0.020 . 2 . . . A 61 GLN HB2 . 19497 1 470 . 1 1 61 61 GLN HB3 H 1 1.990 0.020 . 2 . . . A 61 GLN HB3 . 19497 1 471 . 1 1 61 61 GLN C C 13 178.101 0.20 . 1 . . . A 61 GLN C . 19497 1 472 . 1 1 61 61 GLN CA C 13 58.900 0.200 . 1 . . . A 61 GLN CA . 19497 1 473 . 1 1 61 61 GLN CB C 13 28.100 0.200 . 1 . . . A 61 GLN CB . 19497 1 474 . 1 1 61 61 GLN N N 15 115.462 0.20 . 1 . . . A 61 GLN N . 19497 1 475 . 1 1 62 62 GLU H H 1 7.910 0.02 . 1 . . . A 62 GLU H . 19497 1 476 . 1 1 62 62 GLU HA H 1 4.150 0.020 . 1 . . . A 62 GLU HA . 19497 1 477 . 1 1 62 62 GLU HB2 H 1 1.190 0.020 . 2 . . . A 62 GLU HB2 . 19497 1 478 . 1 1 62 62 GLU HB3 H 1 1.950 0.020 . 2 . . . A 62 GLU HB3 . 19497 1 479 . 1 1 62 62 GLU C C 13 174.071 0.20 . 1 . . . A 62 GLU C . 19497 1 480 . 1 1 62 62 GLU CA C 13 54.100 0.200 . 1 . . . A 62 GLU CA . 19497 1 481 . 1 1 62 62 GLU CB C 13 30.300 0.200 . 1 . . . A 62 GLU CB . 19497 1 482 . 1 1 62 62 GLU N N 15 120.883 0.20 . 1 . . . A 62 GLU N . 19497 1 483 . 1 1 63 63 TYR H H 1 8.182 0.02 . 1 . . . A 63 TYR H . 19497 1 484 . 1 1 63 63 TYR HA H 1 3.780 0.020 . 1 . . . A 63 TYR HA . 19497 1 485 . 1 1 63 63 TYR HB2 H 1 2.480 0.020 . 2 . . . A 63 TYR HB2 . 19497 1 486 . 1 1 63 63 TYR HB3 H 1 2.550 0.020 . 2 . . . A 63 TYR HB3 . 19497 1 487 . 1 1 63 63 TYR C C 13 177.874 0.20 . 1 . . . A 63 TYR C . 19497 1 488 . 1 1 63 63 TYR CA C 13 61.100 0.200 . 1 . . . A 63 TYR CA . 19497 1 489 . 1 1 63 63 TYR CB C 13 39.500 0.200 . 1 . . . A 63 TYR CB . 19497 1 490 . 1 1 63 63 TYR N N 15 118.888 0.20 . 1 . . . A 63 TYR N . 19497 1 491 . 1 1 64 64 LEU H H 1 7.806 0.02 . 1 . . . A 64 LEU H . 19497 1 492 . 1 1 64 64 LEU HA H 1 4.450 0.020 . 1 . . . A 64 LEU HA . 19497 1 493 . 1 1 64 64 LEU HB2 H 1 1.260 0.020 . 2 . . . A 64 LEU HB2 . 19497 1 494 . 1 1 64 64 LEU HB3 H 1 1.790 0.020 . 2 . . . A 64 LEU HB3 . 19497 1 495 . 1 1 64 64 LEU C C 13 178.536 0.20 . 1 . . . A 64 LEU C . 19497 1 496 . 1 1 64 64 LEU CA C 13 57.900 0.200 . 1 . . . A 64 LEU CA . 19497 1 497 . 1 1 64 64 LEU CB C 13 38.900 0.200 . 1 . . . A 64 LEU CB . 19497 1 498 . 1 1 64 64 LEU N N 15 119.930 0.20 . 1 . . . A 64 LEU N . 19497 1 499 . 1 1 65 65 ARG H H 1 8.054 0.02 . 1 . . . A 65 ARG H . 19497 1 500 . 1 1 65 65 ARG HA H 1 3.830 0.020 . 1 . . . A 65 ARG HA . 19497 1 501 . 1 1 65 65 ARG HB2 H 1 1.690 0.020 . 2 . . . A 65 ARG HB2 . 19497 1 502 . 1 1 65 65 ARG HB3 H 1 1.690 0.020 . 2 . . . A 65 ARG HB3 . 19497 1 503 . 1 1 65 65 ARG C C 13 177.436 0.20 . 1 . . . A 65 ARG C . 19497 1 504 . 1 1 65 65 ARG CA C 13 58.600 0.200 . 1 . . . A 65 ARG CA . 19497 1 505 . 1 1 65 65 ARG CB C 13 30.400 0.200 . 1 . . . A 65 ARG CB . 19497 1 506 . 1 1 65 65 ARG CD C 13 43.300 0.200 . 1 . . . A 65 ARG CD . 19497 1 507 . 1 1 65 65 ARG N N 15 117.322 0.20 . 1 . . . A 65 ARG N . 19497 1 508 . 1 1 66 66 SER H H 1 7.550 0.02 . 1 . . . A 66 SER H . 19497 1 509 . 1 1 66 66 SER HA H 1 4.200 0.020 . 1 . . . A 66 SER HA . 19497 1 510 . 1 1 66 66 SER HB2 H 1 3.760 0.020 . 2 . . . A 66 SER HB2 . 19497 1 511 . 1 1 66 66 SER HB3 H 1 3.780 0.020 . 2 . . . A 66 SER HB3 . 19497 1 512 . 1 1 66 66 SER C C 13 173.652 0.20 . 1 . . . A 66 SER C . 19497 1 513 . 1 1 66 66 SER CA C 13 58.900 0.200 . 1 . . . A 66 SER CA . 19497 1 514 . 1 1 66 66 SER CB C 13 63.800 0.200 . 1 . . . A 66 SER CB . 19497 1 515 . 1 1 66 66 SER N N 15 111.783 0.20 . 1 . . . A 66 SER N . 19497 1 516 . 1 1 67 67 HIS H H 1 7.134 0.02 . 1 . . . A 67 HIS H . 19497 1 517 . 1 1 67 67 HIS CA C 13 55.700 0.200 . 1 . . . A 67 HIS CA . 19497 1 518 . 1 1 67 67 HIS CB C 13 29.200 0.200 . 1 . . . A 67 HIS CB . 19497 1 519 . 1 1 67 67 HIS N N 15 124.135 0.20 . 1 . . . A 67 HIS N . 19497 1 520 . 1 1 68 68 PRO HA H 1 3.760 0.020 . 1 . . . A 68 PRO HA . 19497 1 521 . 1 1 68 68 PRO HB2 H 1 2.450 0.020 . 2 . . . A 68 PRO HB2 . 19497 1 522 . 1 1 68 68 PRO HB3 H 1 1.650 0.020 . 2 . . . A 68 PRO HB3 . 19497 1 523 . 1 1 68 68 PRO HG3 H 1 2.010 0.020 . 2 . . . A 68 PRO HG3 . 19497 1 524 . 1 1 68 68 PRO C C 13 178.101 0.20 . 1 . . . A 68 PRO C . 19497 1 525 . 1 1 68 68 PRO CA C 13 58.900 0.200 . 1 . . . A 68 PRO CA . 19497 1 526 . 1 1 68 68 PRO CB C 13 29.900 0.200 . 1 . . . A 68 PRO CB . 19497 1 527 . 1 1 69 69 GLY H H 1 7.926 0.02 . 1 . . . A 69 GLY H . 19497 1 528 . 1 1 69 69 GLY HA2 H 1 3.910 0.020 . 2 . . . A 69 GLY HA2 . 19497 1 529 . 1 1 69 69 GLY HA3 H 1 3.910 0.020 . 2 . . . A 69 GLY HA3 . 19497 1 530 . 1 1 69 69 GLY C C 13 176.641 0.20 . 1 . . . A 69 GLY C . 19497 1 531 . 1 1 69 69 GLY CA C 13 45.000 0.200 . 1 . . . A 69 GLY CA . 19497 1 532 . 1 1 69 69 GLY N N 15 115.697 0.20 . 1 . . . A 69 GLY N . 19497 1 533 . 1 1 70 70 SER H H 1 8.030 0.02 . 1 . . . A 70 SER H . 19497 1 534 . 1 1 70 70 SER HA H 1 4.370 0.020 . 1 . . . A 70 SER HA . 19497 1 535 . 1 1 70 70 SER HB2 H 1 1.900 0.020 . 2 . . . A 70 SER HB2 . 19497 1 536 . 1 1 70 70 SER HB3 H 1 3.770 0.020 . 2 . . . A 70 SER HB3 . 19497 1 537 . 1 1 70 70 SER C C 13 173.277 0.20 . 1 . . . A 70 SER C . 19497 1 538 . 1 1 70 70 SER CA C 13 58.300 0.200 . 1 . . . A 70 SER CA . 19497 1 539 . 1 1 70 70 SER CB C 13 64.300 0.200 . 1 . . . A 70 SER CB . 19497 1 540 . 1 1 70 70 SER N N 15 115.440 0.20 . 1 . . . A 70 SER N . 19497 1 541 . 1 1 71 71 ARG H H 1 8.006 0.02 . 1 . . . A 71 ARG H . 19497 1 542 . 1 1 71 71 ARG HA H 1 4.050 0.020 . 1 . . . A 71 ARG HA . 19497 1 543 . 1 1 71 71 ARG HB2 H 1 1.810 0.020 . 2 . . . A 71 ARG HB2 . 19497 1 544 . 1 1 71 71 ARG HB3 H 1 1.830 0.020 . 2 . . . A 71 ARG HB3 . 19497 1 545 . 1 1 71 71 ARG C C 13 175.849 0.20 . 1 . . . A 71 ARG C . 19497 1 546 . 1 1 71 71 ARG CA C 13 53.900 0.200 . 1 . . . A 71 ARG CA . 19497 1 547 . 1 1 71 71 ARG CB C 13 30.900 0.200 . 1 . . . A 71 ARG CB . 19497 1 548 . 1 1 71 71 ARG CD C 13 43.300 0.200 . 1 . . . A 71 ARG CD . 19497 1 549 . 1 1 71 71 ARG N N 15 127.642 0.20 . 1 . . . A 71 ARG N . 19497 1 550 . 1 1 72 72 ASP H H 1 8.182 0.02 . 1 . . . A 72 ASP H . 19497 1 551 . 1 1 72 72 ASP HA H 1 4.370 0.020 . 1 . . . A 72 ASP HA . 19497 1 552 . 1 1 72 72 ASP HB2 H 1 2.440 0.020 . 2 . . . A 72 ASP HB2 . 19497 1 553 . 1 1 72 72 ASP HB3 H 1 2.580 0.020 . 2 . . . A 72 ASP HB3 . 19497 1 554 . 1 1 72 72 ASP C C 13 176.087 0.20 . 1 . . . A 72 ASP C . 19497 1 555 . 1 1 72 72 ASP CA C 13 54.500 0.200 . 1 . . . A 72 ASP CA . 19497 1 556 . 1 1 72 72 ASP CB C 13 40.900 0.200 . 1 . . . A 72 ASP CB . 19497 1 557 . 1 1 72 72 ASP N N 15 120.975 0.20 . 1 . . . A 72 ASP N . 19497 1 558 . 1 1 73 73 LEU H H 1 8.014 0.02 . 1 . . . A 73 LEU H . 19497 1 559 . 1 1 73 73 LEU HA H 1 4.160 0.020 . 1 . . . A 73 LEU HA . 19497 1 560 . 1 1 73 73 LEU HB2 H 1 1.470 0.020 . 2 . . . A 73 LEU HB2 . 19497 1 561 . 1 1 73 73 LEU HB3 H 1 1.470 0.020 . 2 . . . A 73 LEU HB3 . 19497 1 562 . 1 1 73 73 LEU C C 13 177.020 0.20 . 1 . . . A 73 LEU C . 19497 1 563 . 1 1 73 73 LEU CA C 13 55.000 0.200 . 1 . . . A 73 LEU CA . 19497 1 564 . 1 1 73 73 LEU CB C 13 42.000 0.200 . 1 . . . A 73 LEU CB . 19497 1 565 . 1 1 73 73 LEU N N 15 121.535 0.20 . 1 . . . A 73 LEU N . 19497 1 566 . 1 1 74 74 ASP H H 1 8.134 0.02 . 1 . . . A 74 ASP H . 19497 1 567 . 1 1 74 74 ASP HA H 1 4.480 0.020 . 1 . . . A 74 ASP HA . 19497 1 568 . 1 1 74 74 ASP HB2 H 1 2.550 0.020 . 2 . . . A 74 ASP HB2 . 19497 1 569 . 1 1 74 74 ASP HB3 H 1 2.480 0.020 . 2 . . . A 74 ASP HB3 . 19497 1 570 . 1 1 74 74 ASP C C 13 175.797 0.20 . 1 . . . A 74 ASP C . 19497 1 571 . 1 1 74 74 ASP CA C 13 54.200 0.200 . 1 . . . A 74 ASP CA . 19497 1 572 . 1 1 74 74 ASP CB C 13 41.000 0.200 . 1 . . . A 74 ASP CB . 19497 1 573 . 1 1 74 74 ASP N N 15 120.525 0.20 . 1 . . . A 74 ASP N . 19497 1 574 . 1 1 75 75 THR H H 1 7.814 0.02 . 1 . . . A 75 THR H . 19497 1 575 . 1 1 75 75 THR CA C 13 59.700 0.200 . 1 . . . A 75 THR CA . 19497 1 576 . 1 1 75 75 THR CB C 13 69.600 0.200 . 1 . . . A 75 THR CB . 19497 1 577 . 1 1 75 75 THR N N 15 116.656 0.20 . 1 . . . A 75 THR N . 19497 1 578 . 1 1 76 76 PRO HA H 1 4.020 0.020 . 1 . . . A 76 PRO HA . 19497 1 579 . 1 1 76 76 PRO HB2 H 1 1.570 0.020 . 2 . . . A 76 PRO HB2 . 19497 1 580 . 1 1 76 76 PRO HB3 H 1 2.090 0.020 . 2 . . . A 76 PRO HB3 . 19497 1 581 . 1 1 76 76 PRO HG3 H 1 2.010 0.020 . 2 . . . A 76 PRO HG3 . 19497 1 582 . 1 1 76 76 PRO C C 13 174.538 0.20 . 1 . . . A 76 PRO C . 19497 1 583 . 1 1 76 76 PRO CA C 13 63.500 0.200 . 1 . . . A 76 PRO CA . 19497 1 584 . 1 1 76 76 PRO CB C 13 32.600 0.200 . 1 . . . A 76 PRO CB . 19497 1 585 . 1 1 77 77 ILE H H 1 7.838 0.02 . 1 . . . A 77 ILE H . 19497 1 586 . 1 1 77 77 ILE HA H 1 4.670 0.020 . 1 . . . A 77 ILE HA . 19497 1 587 . 1 1 77 77 ILE C C 13 176.132 0.20 . 1 . . . A 77 ILE C . 19497 1 588 . 1 1 77 77 ILE CA C 13 59.100 0.200 . 1 . . . A 77 ILE CA . 19497 1 589 . 1 1 77 77 ILE CB C 13 39.000 0.200 . 1 . . . A 77 ILE CB . 19497 1 590 . 1 1 77 77 ILE CG1 C 13 27.100 0.200 . 1 . . . A 77 ILE CG1 . 19497 1 591 . 1 1 77 77 ILE CG2 C 13 17.400 0.200 . 1 . . . A 77 ILE CG2 . 19497 1 592 . 1 1 77 77 ILE N N 15 121.402 0.20 . 1 . . . A 77 ILE N . 19497 1 593 . 1 1 78 78 ILE H H 1 8.910 0.02 . 1 . . . A 78 ILE H . 19497 1 594 . 1 1 78 78 ILE HA H 1 4.130 0.020 . 1 . . . A 78 ILE HA . 19497 1 595 . 1 1 78 78 ILE HB H 1 1.460 0.020 . 1 . . . A 78 ILE HB . 19497 1 596 . 1 1 78 78 ILE C C 13 175.084 0.20 . 1 . . . A 78 ILE C . 19497 1 597 . 1 1 78 78 ILE CA C 13 59.900 0.200 . 1 . . . A 78 ILE CA . 19497 1 598 . 1 1 78 78 ILE CB C 13 39.000 0.200 . 1 . . . A 78 ILE CB . 19497 1 599 . 1 1 78 78 ILE CG1 C 13 27.100 0.200 . 1 . . . A 78 ILE CG1 . 19497 1 600 . 1 1 78 78 ILE CG2 C 13 17.400 0.200 . 1 . . . A 78 ILE CG2 . 19497 1 601 . 1 1 78 78 ILE N N 15 130.292 0.20 . 1 . . . A 78 ILE N . 19497 1 602 . 1 1 79 79 VAL H H 1 8.670 0.02 . 1 . . . A 79 VAL H . 19497 1 603 . 1 1 79 79 VAL HA H 1 4.570 0.020 . 1 . . . A 79 VAL HA . 19497 1 604 . 1 1 79 79 VAL HB H 1 1.850 0.020 . 1 . . . A 79 VAL HB . 19497 1 605 . 1 1 79 79 VAL C C 13 175.907 0.20 . 1 . . . A 79 VAL C . 19497 1 606 . 1 1 79 79 VAL CA C 13 63.200 0.200 . 1 . . . A 79 VAL CA . 19497 1 607 . 1 1 79 79 VAL CB C 13 31.700 0.200 . 1 . . . A 79 VAL CB . 19497 1 608 . 1 1 79 79 VAL N N 15 129.237 0.20 . 1 . . . A 79 VAL N . 19497 1 609 . 1 1 80 80 VAL H H 1 9.598 0.02 . 1 . . . A 80 VAL H . 19497 1 610 . 1 1 80 80 VAL HA H 1 4.340 0.020 . 1 . . . A 80 VAL HA . 19497 1 611 . 1 1 80 80 VAL HB H 1 1.810 0.020 . 1 . . . A 80 VAL HB . 19497 1 612 . 1 1 80 80 VAL C C 13 172.823 0.20 . 1 . . . A 80 VAL C . 19497 1 613 . 1 1 80 80 VAL CA C 13 59.400 0.200 . 1 . . . A 80 VAL CA . 19497 1 614 . 1 1 80 80 VAL CB C 13 32.600 0.200 . 1 . . . A 80 VAL CB . 19497 1 615 . 1 1 80 80 VAL N N 15 128.354 0.20 . 1 . . . A 80 VAL N . 19497 1 616 . 1 1 81 81 LYS H H 1 8.198 0.02 . 1 . . . A 81 LYS H . 19497 1 617 . 1 1 81 81 LYS HA H 1 4.480 0.020 . 1 . . . A 81 LYS HA . 19497 1 618 . 1 1 81 81 LYS HB2 H 1 1.970 0.020 . 2 . . . A 81 LYS HB2 . 19497 1 619 . 1 1 81 81 LYS HB3 H 1 1.970 0.020 . 2 . . . A 81 LYS HB3 . 19497 1 620 . 1 1 81 81 LYS HD2 H 1 1.660 0.020 . 2 . . . A 81 LYS HD2 . 19497 1 621 . 1 1 81 81 LYS HD3 H 1 1.710 0.020 . 2 . . . A 81 LYS HD3 . 19497 1 622 . 1 1 81 81 LYS HE2 H 1 2.970 0.020 . 2 . . . A 81 LYS HE2 . 19497 1 623 . 1 1 81 81 LYS HE3 H 1 3.010 0.020 . 2 . . . A 81 LYS HE3 . 19497 1 624 . 1 1 81 81 LYS C C 13 178.101 0.20 . 1 . . . A 81 LYS C . 19497 1 625 . 1 1 81 81 LYS CA C 13 54.400 0.200 . 1 . . . A 81 LYS CA . 19497 1 626 . 1 1 81 81 LYS CB C 13 34.300 0.200 . 1 . . . A 81 LYS CB . 19497 1 627 . 1 1 81 81 LYS CE C 13 42.100 0.200 . 1 . . . A 81 LYS CE . 19497 1 628 . 1 1 81 81 LYS N N 15 123.077 0.20 . 1 . . . A 81 LYS N . 19497 1 629 . 1 1 82 82 GLN H H 1 7.910 0.02 . 1 . . . A 82 GLN H . 19497 1 630 . 1 1 82 82 GLN HA H 1 4.170 0.020 . 1 . . . A 82 GLN HA . 19497 1 631 . 1 1 82 82 GLN HB2 H 1 1.880 0.020 . 2 . . . A 82 GLN HB2 . 19497 1 632 . 1 1 82 82 GLN HB3 H 1 1.800 0.020 . 2 . . . A 82 GLN HB3 . 19497 1 633 . 1 1 82 82 GLN C C 13 177.068 0.20 . 1 . . . A 82 GLN C . 19497 1 634 . 1 1 82 82 GLN CA C 13 56.200 0.200 . 1 . . . A 82 GLN CA . 19497 1 635 . 1 1 82 82 GLN CB C 13 29.400 0.200 . 1 . . . A 82 GLN CB . 19497 1 636 . 1 1 82 82 GLN N N 15 121.436 0.20 . 1 . . . A 82 GLN N . 19497 1 637 . 1 1 83 83 GLY H H 1 8.382 0.02 . 1 . . . A 83 GLY H . 19497 1 638 . 1 1 83 83 GLY HA2 H 1 4.120 0.020 . 2 . . . A 83 GLY HA2 . 19497 1 639 . 1 1 83 83 GLY HA3 H 1 3.760 0.020 . 2 . . . A 83 GLY HA3 . 19497 1 640 . 1 1 83 83 GLY C C 13 173.348 0.20 . 1 . . . A 83 GLY C . 19497 1 641 . 1 1 83 83 GLY CA C 13 45.000 0.200 . 1 . . . A 83 GLY CA . 19497 1 642 . 1 1 83 83 GLY N N 15 110.688 0.20 . 1 . . . A 83 GLY N . 19497 1 643 . 1 1 84 84 PHE H H 1 7.910 0.02 . 1 . . . A 84 PHE H . 19497 1 644 . 1 1 84 84 PHE HA H 1 4.490 0.020 . 1 . . . A 84 PHE HA . 19497 1 645 . 1 1 84 84 PHE HB2 H 1 2.890 0.020 . 2 . . . A 84 PHE HB2 . 19497 1 646 . 1 1 84 84 PHE HB3 H 1 2.760 0.020 . 2 . . . A 84 PHE HB3 . 19497 1 647 . 1 1 84 84 PHE C C 13 175.035 0.20 . 1 . . . A 84 PHE C . 19497 1 648 . 1 1 84 84 PHE CA C 13 57.300 0.200 . 1 . . . A 84 PHE CA . 19497 1 649 . 1 1 84 84 PHE CB C 13 42.200 0.200 . 1 . . . A 84 PHE CB . 19497 1 650 . 1 1 84 84 PHE N N 15 119.493 0.20 . 1 . . . A 84 PHE N . 19497 1 651 . 1 1 85 85 GLU H H 1 8.142 0.02 . 1 . . . A 85 GLU H . 19497 1 652 . 1 1 85 85 GLU CA C 13 59.000 0.200 . 1 . . . A 85 GLU CA . 19497 1 653 . 1 1 85 85 GLU CB C 13 29.700 0.200 . 1 . . . A 85 GLU CB . 19497 1 654 . 1 1 85 85 GLU N N 15 124.672 0.20 . 1 . . . A 85 GLU N . 19497 1 655 . 1 1 87 87 PRO HA H 1 4.550 0.020 . 1 . . . A 87 PRO HA . 19497 1 656 . 1 1 87 87 PRO HB2 H 1 2.140 0.020 . 2 . . . A 87 PRO HB2 . 19497 1 657 . 1 1 87 87 PRO HB3 H 1 1.810 0.020 . 2 . . . A 87 PRO HB3 . 19497 1 658 . 1 1 87 87 PRO HG3 H 1 2.010 0.020 . 2 . . . A 87 PRO HG3 . 19497 1 659 . 1 1 87 87 PRO C C 13 178.284 0.20 . 1 . . . A 87 PRO C . 19497 1 660 . 1 1 87 87 PRO CA C 13 64.100 0.200 . 1 . . . A 87 PRO CA . 19497 1 661 . 1 1 87 87 PRO CB C 13 31.100 0.200 . 1 . . . A 87 PRO CB . 19497 1 662 . 1 1 88 88 THR H H 1 7.110 0.02 . 1 . . . A 88 THR H . 19497 1 663 . 1 1 88 88 THR HA H 1 3.860 0.020 . 1 . . . A 88 THR HA . 19497 1 664 . 1 1 88 88 THR HB H 1 4.370 0.020 . 1 . . . A 88 THR HB . 19497 1 665 . 1 1 88 88 THR C C 13 174.182 0.20 . 1 . . . A 88 THR C . 19497 1 666 . 1 1 88 88 THR CA C 13 62.900 0.200 . 1 . . . A 88 THR CA . 19497 1 667 . 1 1 88 88 THR CB C 13 68.000 0.200 . 1 . . . A 88 THR CB . 19497 1 668 . 1 1 88 88 THR N N 15 106.959 0.20 . 1 . . . A 88 THR N . 19497 1 669 . 1 1 89 89 PHE H H 1 7.198 0.02 . 1 . . . A 89 PHE H . 19497 1 670 . 1 1 89 89 PHE HA H 1 3.630 0.020 . 1 . . . A 89 PHE HA . 19497 1 671 . 1 1 89 89 PHE HB2 H 1 2.180 0.020 . 2 . . . A 89 PHE HB2 . 19497 1 672 . 1 1 89 89 PHE HB3 H 1 4.050 0.020 . 2 . . . A 89 PHE HB3 . 19497 1 673 . 1 1 89 89 PHE C C 13 175.468 0.20 . 1 . . . A 89 PHE C . 19497 1 674 . 1 1 89 89 PHE CA C 13 59.800 0.200 . 1 . . . A 89 PHE CA . 19497 1 675 . 1 1 89 89 PHE CB C 13 40.700 0.200 . 1 . . . A 89 PHE CB . 19497 1 676 . 1 1 89 89 PHE N N 15 118.766 0.20 . 1 . . . A 89 PHE N . 19497 1 677 . 1 1 90 90 THR H H 1 7.446 0.02 . 1 . . . A 90 THR H . 19497 1 678 . 1 1 90 90 THR HA H 1 2.930 0.020 . 1 . . . A 90 THR HA . 19497 1 679 . 1 1 90 90 THR HB H 1 3.780 0.020 . 1 . . . A 90 THR HB . 19497 1 680 . 1 1 90 90 THR C C 13 177.260 0.20 . 1 . . . A 90 THR C . 19497 1 681 . 1 1 90 90 THR CA C 13 64.600 0.200 . 1 . . . A 90 THR CA . 19497 1 682 . 1 1 90 90 THR CB C 13 67.900 0.200 . 1 . . . A 90 THR CB . 19497 1 683 . 1 1 90 90 THR N N 15 107.050 0.20 . 1 . . . A 90 THR N . 19497 1 684 . 1 1 91 91 GLY H H 1 7.646 0.02 . 1 . . . A 91 GLY H . 19497 1 685 . 1 1 91 91 GLY HA2 H 1 3.410 0.020 . 2 . . . A 91 GLY HA2 . 19497 1 686 . 1 1 91 91 GLY HA3 H 1 3.720 0.020 . 2 . . . A 91 GLY HA3 . 19497 1 687 . 1 1 91 91 GLY C C 13 174.422 0.20 . 1 . . . A 91 GLY C . 19497 1 688 . 1 1 91 91 GLY CA C 13 46.000 0.200 . 1 . . . A 91 GLY CA . 19497 1 689 . 1 1 91 91 GLY N N 15 106.738 0.20 . 1 . . . A 91 GLY N . 19497 1 690 . 1 1 92 92 TRP H H 1 6.790 0.02 . 1 . . . A 92 TRP H . 19497 1 691 . 1 1 92 92 TRP HA H 1 4.400 0.020 . 1 . . . A 92 TRP HA . 19497 1 692 . 1 1 92 92 TRP HB2 H 1 3.270 0.020 . 2 . . . A 92 TRP HB2 . 19497 1 693 . 1 1 92 92 TRP HB3 H 1 3.080 0.020 . 2 . . . A 92 TRP HB3 . 19497 1 694 . 1 1 92 92 TRP C C 13 174.209 0.20 . 1 . . . A 92 TRP C . 19497 1 695 . 1 1 92 92 TRP CA C 13 56.900 0.200 . 1 . . . A 92 TRP CA . 19497 1 696 . 1 1 92 92 TRP CB C 13 29.400 0.200 . 1 . . . A 92 TRP CB . 19497 1 697 . 1 1 92 92 TRP N N 15 117.500 0.20 . 1 . . . A 92 TRP N . 19497 1 698 . 1 1 93 93 PHE H H 1 7.750 0.02 . 1 . . . A 93 PHE H . 19497 1 699 . 1 1 93 93 PHE HA H 1 4.350 0.020 . 1 . . . A 93 PHE HA . 19497 1 700 . 1 1 93 93 PHE HB2 H 1 3.080 0.020 . 2 . . . A 93 PHE HB2 . 19497 1 701 . 1 1 93 93 PHE HB3 H 1 3.100 0.020 . 2 . . . A 93 PHE HB3 . 19497 1 702 . 1 1 93 93 PHE C C 13 175.953 0.20 . 1 . . . A 93 PHE C . 19497 1 703 . 1 1 93 93 PHE CA C 13 56.700 0.200 . 1 . . . A 93 PHE CA . 19497 1 704 . 1 1 93 93 PHE CB C 13 40.300 0.200 . 1 . . . A 93 PHE CB . 19497 1 705 . 1 1 93 93 PHE N N 15 119.092 0.20 . 1 . . . A 93 PHE N . 19497 1 706 . 1 1 94 94 MET H H 1 8.654 0.02 . 1 . . . A 94 MET H . 19497 1 707 . 1 1 94 94 MET HA H 1 4.000 0.020 . 1 . . . A 94 MET HA . 19497 1 708 . 1 1 94 94 MET HB2 H 1 2.520 0.020 . 2 . . . A 94 MET HB2 . 19497 1 709 . 1 1 94 94 MET HB3 H 1 1.950 0.020 . 2 . . . A 94 MET HB3 . 19497 1 710 . 1 1 94 94 MET C C 13 175.738 0.20 . 1 . . . A 94 MET C . 19497 1 711 . 1 1 94 94 MET CA C 13 57.600 0.200 . 1 . . . A 94 MET CA . 19497 1 712 . 1 1 94 94 MET CB C 13 32.000 0.200 . 1 . . . A 94 MET CB . 19497 1 713 . 1 1 94 94 MET N N 15 121.554 0.20 . 1 . . . A 94 MET N . 19497 1 714 . 1 1 95 95 ALA H H 1 7.750 0.02 . 1 . . . A 95 ALA H . 19497 1 715 . 1 1 95 95 ALA HA H 1 4.290 0.020 . 1 . . . A 95 ALA HA . 19497 1 716 . 1 1 95 95 ALA HB1 H 1 1.190 0.020 . 1 . . . A 95 ALA HB . 19497 1 717 . 1 1 95 95 ALA HB2 H 1 1.190 0.020 . 1 . . . A 95 ALA HB . 19497 1 718 . 1 1 95 95 ALA HB3 H 1 1.190 0.020 . 1 . . . A 95 ALA HB . 19497 1 719 . 1 1 95 95 ALA C C 13 175.441 0.20 . 1 . . . A 95 ALA C . 19497 1 720 . 1 1 95 95 ALA CA C 13 51.300 0.200 . 1 . . . A 95 ALA CA . 19497 1 721 . 1 1 95 95 ALA CB C 13 20.700 0.200 . 1 . . . A 95 ALA CB . 19497 1 722 . 1 1 95 95 ALA N N 15 119.777 0.20 . 1 . . . A 95 ALA N . 19497 1 723 . 1 1 96 96 TRP H H 1 8.254 0.02 . 1 . . . A 96 TRP H . 19497 1 724 . 1 1 96 96 TRP HA H 1 4.270 0.020 . 1 . . . A 96 TRP HA . 19497 1 725 . 1 1 96 96 TRP C C 13 175.488 0.20 . 1 . . . A 96 TRP C . 19497 1 726 . 1 1 96 96 TRP CA C 13 57.700 0.200 . 1 . . . A 96 TRP CA . 19497 1 727 . 1 1 96 96 TRP CB C 13 30.400 0.200 . 1 . . . A 96 TRP CB . 19497 1 728 . 1 1 96 96 TRP N N 15 120.813 0.20 . 1 . . . A 96 TRP N . 19497 1 729 . 1 1 97 97 ASP H H 1 8.958 0.02 . 1 . . . A 97 ASP H . 19497 1 730 . 1 1 97 97 ASP CA C 13 53.700 0.200 . 1 . . . A 97 ASP CA . 19497 1 731 . 1 1 97 97 ASP CB C 13 39.600 0.200 . 1 . . . A 97 ASP CB . 19497 1 732 . 1 1 97 97 ASP N N 15 117.140 0.20 . 1 . . . A 97 ASP N . 19497 1 733 . 1 1 98 98 PRO HA H 1 4.290 0.020 . 1 . . . A 98 PRO HA . 19497 1 734 . 1 1 98 98 PRO HB2 H 1 2.270 0.020 . 2 . . . A 98 PRO HB2 . 19497 1 735 . 1 1 98 98 PRO HB3 H 1 1.950 0.020 . 2 . . . A 98 PRO HB3 . 19497 1 736 . 1 1 98 98 PRO C C 13 174.071 0.20 . 1 . . . A 98 PRO C . 19497 1 737 . 1 1 98 98 PRO CA C 13 63.100 0.200 . 1 . . . A 98 PRO CA . 19497 1 738 . 1 1 98 98 PRO CB C 13 32.400 0.200 . 1 . . . A 98 PRO CB . 19497 1 739 . 1 1 99 99 LEU H H 1 8.182 0.02 . 1 . . . A 99 LEU H . 19497 1 740 . 1 1 99 99 LEU HA H 1 4.290 0.020 . 1 . . . A 99 LEU HA . 19497 1 741 . 1 1 99 99 LEU C C 13 177.519 0.20 . 1 . . . A 99 LEU C . 19497 1 742 . 1 1 99 99 LEU CA C 13 54.400 0.200 . 1 . . . A 99 LEU CA . 19497 1 743 . 1 1 99 99 LEU CB C 13 40.500 0.200 . 1 . . . A 99 LEU CB . 19497 1 744 . 1 1 99 99 LEU N N 15 118.888 0.20 . 1 . . . A 99 LEU N . 19497 1 745 . 1 1 100 100 CYS H H 1 6.862 0.02 . 1 . . . A 100 CYS H . 19497 1 746 . 1 1 100 100 CYS HA H 1 3.640 0.020 . 1 . . . A 100 CYS HA . 19497 1 747 . 1 1 100 100 CYS HB3 H 1 3.780 0.020 . 2 . . . A 100 CYS HB3 . 19497 1 748 . 1 1 100 100 CYS C C 13 174.685 0.20 . 1 . . . A 100 CYS C . 19497 1 749 . 1 1 100 100 CYS CA C 13 60.800 0.200 . 1 . . . A 100 CYS CA . 19497 1 750 . 1 1 100 100 CYS CB C 13 27.400 0.200 . 1 . . . A 100 CYS CB . 19497 1 751 . 1 1 100 100 CYS N N 15 118.788 0.20 . 1 . . . A 100 CYS N . 19497 1 752 . 1 1 101 101 TRP H H 1 7.662 0.02 . 1 . . . A 101 TRP H . 19497 1 753 . 1 1 101 101 TRP HA H 1 4.620 0.020 . 1 . . . A 101 TRP HA . 19497 1 754 . 1 1 101 101 TRP HB2 H 1 3.270 0.020 . 2 . . . A 101 TRP HB2 . 19497 1 755 . 1 1 101 101 TRP HB3 H 1 3.080 0.020 . 2 . . . A 101 TRP HB3 . 19497 1 756 . 1 1 101 101 TRP C C 13 176.478 0.20 . 1 . . . A 101 TRP C . 19497 1 757 . 1 1 101 101 TRP CA C 13 54.400 0.200 . 1 . . . A 101 TRP CA . 19497 1 758 . 1 1 101 101 TRP CB C 13 28.200 0.200 . 1 . . . A 101 TRP CB . 19497 1 759 . 1 1 101 101 TRP N N 15 117.558 0.20 . 1 . . . A 101 TRP N . 19497 1 760 . 1 1 102 102 SER H H 1 7.734 0.02 . 1 . . . A 102 SER H . 19497 1 761 . 1 1 102 102 SER HA H 1 4.290 0.020 . 1 . . . A 102 SER HA . 19497 1 762 . 1 1 102 102 SER HB2 H 1 3.630 0.020 . 2 . . . A 102 SER HB2 . 19497 1 763 . 1 1 102 102 SER HB3 H 1 3.770 0.020 . 2 . . . A 102 SER HB3 . 19497 1 764 . 1 1 102 102 SER C C 13 174.303 0.20 . 1 . . . A 102 SER C . 19497 1 765 . 1 1 102 102 SER CA C 13 58.900 0.200 . 1 . . . A 102 SER CA . 19497 1 766 . 1 1 102 102 SER CB C 13 63.700 0.200 . 1 . . . A 102 SER CB . 19497 1 767 . 1 1 102 102 SER N N 15 115.626 0.20 . 1 . . . A 102 SER N . 19497 1 768 . 1 1 103 103 ASP H H 1 8.254 0.02 . 1 . . . A 103 ASP H . 19497 1 769 . 1 1 103 103 ASP HA H 1 4.480 0.020 . 1 . . . A 103 ASP HA . 19497 1 770 . 1 1 103 103 ASP HB2 H 1 2.530 0.020 . 2 . . . A 103 ASP HB2 . 19497 1 771 . 1 1 103 103 ASP HB3 H 1 2.480 0.020 . 2 . . . A 103 ASP HB3 . 19497 1 772 . 1 1 103 103 ASP CA C 13 54.400 0.200 . 1 . . . A 103 ASP CA . 19497 1 773 . 1 1 103 103 ASP CB C 13 40.600 0.200 . 1 . . . A 103 ASP CB . 19497 1 774 . 1 1 103 103 ASP N N 15 121.936 0.20 . 1 . . . A 103 ASP N . 19497 1 775 . 1 1 104 104 ARG H H 1 7.910 0.02 . 1 . . . A 104 ARG H . 19497 1 776 . 1 1 104 104 ARG HA H 1 4.140 0.020 . 1 . . . A 104 ARG HA . 19497 1 777 . 1 1 104 104 ARG HB2 H 1 1.710 0.020 . 2 . . . A 104 ARG HB2 . 19497 1 778 . 1 1 104 104 ARG HB3 H 1 1.630 0.020 . 2 . . . A 104 ARG HB3 . 19497 1 779 . 1 1 104 104 ARG C C 13 176.177 0.20 . 1 . . . A 104 ARG C . 19497 1 780 . 1 1 104 104 ARG CA C 13 56.000 0.200 . 1 . . . A 104 ARG CA . 19497 1 781 . 1 1 104 104 ARG CB C 13 30.300 0.200 . 1 . . . A 104 ARG CB . 19497 1 782 . 1 1 104 104 ARG CD C 13 43.300 0.200 . 1 . . . A 104 ARG CD . 19497 1 783 . 1 1 104 104 ARG N N 15 120.567 0.20 . 1 . . . A 104 ARG N . 19497 1 784 . 1 1 105 105 LYS H H 1 8.094 0.02 . 1 . . . A 105 LYS H . 19497 1 785 . 1 1 105 105 LYS HA H 1 4.160 0.020 . 1 . . . A 105 LYS HA . 19497 1 786 . 1 1 105 105 LYS HB2 H 1 1.590 0.020 . 2 . . . A 105 LYS HB2 . 19497 1 787 . 1 1 105 105 LYS HB3 H 1 1.710 0.020 . 2 . . . A 105 LYS HB3 . 19497 1 788 . 1 1 105 105 LYS HD3 H 1 1.690 0.020 . 2 . . . A 105 LYS HD3 . 19497 1 789 . 1 1 105 105 LYS HE2 H 1 2.970 0.020 . 2 . . . A 105 LYS HE2 . 19497 1 790 . 1 1 105 105 LYS HE3 H 1 3.010 0.020 . 2 . . . A 105 LYS HE3 . 19497 1 791 . 1 1 105 105 LYS C C 13 176.141 0.20 . 1 . . . A 105 LYS C . 19497 1 792 . 1 1 105 105 LYS CA C 13 56.100 0.200 . 1 . . . A 105 LYS CA . 19497 1 793 . 1 1 105 105 LYS CB C 13 32.800 0.200 . 1 . . . A 105 LYS CB . 19497 1 794 . 1 1 105 105 LYS CE C 13 42.100 0.200 . 1 . . . A 105 LYS CE . 19497 1 795 . 1 1 105 105 LYS N N 15 121.805 0.20 . 1 . . . A 105 LYS N . 19497 1 796 . 1 1 106 106 SER H H 1 8.030 0.02 . 1 . . . A 106 SER H . 19497 1 797 . 1 1 106 106 SER HA H 1 4.290 0.020 . 1 . . . A 106 SER HA . 19497 1 798 . 1 1 106 106 SER HB2 H 1 3.510 0.020 . 2 . . . A 106 SER HB2 . 19497 1 799 . 1 1 106 106 SER HB3 H 1 3.660 0.020 . 2 . . . A 106 SER HB3 . 19497 1 800 . 1 1 106 106 SER C C 13 172.841 0.20 . 1 . . . A 106 SER C . 19497 1 801 . 1 1 106 106 SER CA C 13 57.900 0.200 . 1 . . . A 106 SER CA . 19497 1 802 . 1 1 106 106 SER CB C 13 63.800 0.200 . 1 . . . A 106 SER CB . 19497 1 803 . 1 1 106 106 SER N N 15 116.792 0.20 . 1 . . . A 106 SER N . 19497 1 804 . 1 1 107 107 TYR H H 1 7.566 0.02 . 1 . . . A 107 TYR H . 19497 1 805 . 1 1 107 107 TYR N N 15 113.688 0.20 . 1 . . . A 107 TYR N . 19497 1 stop_ save_