data_11178 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11178 _Entry.Title ; Solution structure of the SH3 domain of human olygophrein-1 like protein (KIAA0621) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-21 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-07-20 _Entry.Original_release_date 2011-07-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 K. Inoue . . . 11178 2 F. Hayashi . . . 11178 3 M. Shirouzu . . . 11178 4 T. Terada . . . 11178 5 T. Kigawa . . . 11178 6 M. Inoue . . . 11178 7 T. Yabuki . . . 11178 8 M. Aoki . . . 11178 9 E. Seki . . . 11178 10 T. Matsuda . . . 11178 11 H. Hirota . . . 11178 12 M. Yoshida . . . 11178 13 A. Tanaka . . . 11178 14 T. Osanai . . . 11178 15 Y. Matsuo . . . 11178 16 O. Ohara . . . 11178 17 T. Nagase . . . 11178 18 R. Kikuno . . . 11178 19 M. Nakayama . . . 11178 20 S. Yokoyama . . . 11178 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11178 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11178 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 280 11178 '15N chemical shifts' 62 11178 '1H chemical shifts' 432 11178 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-07-20 2010-07-21 original author . 11178 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1UGV 'BMRB Entry Tracking System' 11178 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11178 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the SH3 domain of human olygophrein-1 like protein (KIAA0621) ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Inoue . . . 11178 1 2 F. Hayashi . . . 11178 1 3 M. Shirouzu . . . 11178 1 4 T. Terada . . . 11178 1 5 T. Kigawa . . . 11178 1 6 M. Inoue . . . 11178 1 7 T. Yabuki . . . 11178 1 8 M. Aoki . . . 11178 1 9 E. Seki . . . 11178 1 10 T. Matsuda . . . 11178 1 11 H. Hirota . . . 11178 1 12 M. Yoshida . . . 11178 1 13 A. Tanaka . . . 11178 1 14 T. Osanai . . . 11178 1 15 Y. Matsuo . . . 11178 1 16 O. Ohara . . . 11178 1 17 T. Nagase . . . 11178 1 18 R. Kikuno . . . 11178 1 19 M. Nakayama . . . 11178 1 20 S. Yokoyama . . . 11178 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11178 _Assembly.ID 1 _Assembly.Name 'Olygophrenin-1 like protein' _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 'SH3 domain' 1 $entity_1 A . yes native no no . . . 11178 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 1ugv . . . . . . 11178 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11178 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 domain' _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 ; GSSGSSGTPFRKAKALYACK AEHDSELSFTAGTVFDNVHP SQEPGWLEGTLNGKTGLIPE NYVEFLSGPSSG ; _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 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1UGV . "Solution Structure Of The Sh3 Domain Of Human Olygophrein-1 Like Protein (Kiaa0621)" . . . . . 100.00 72 100.00 100.00 1.24e-43 . . . . 11178 1 2 no DBJ BAA31596 . "KIAA0621 protein [Homo sapiens]" . . . . . 84.72 753 98.36 98.36 9.78e-33 . . . . 11178 1 3 no DBJ BAG60864 . "unnamed protein product [Homo sapiens]" . . . . . 79.17 186 100.00 100.00 1.33e-33 . . . . 11178 1 4 no EMBL CAA71414 . "Graf protein [Homo sapiens]" . . . . . 79.17 759 100.00 100.00 8.97e-32 . . . . 11178 1 5 no GB AAD39482 . "oligophrenin-1 like protein [Homo sapiens]" . . . . . 84.72 814 98.36 98.36 3.06e-33 . . . . 11178 1 6 no GB AAH68555 . "ARHGAP26 protein [Homo sapiens]" . . . . . 79.17 759 100.00 100.00 7.58e-32 . . . . 11178 1 7 no GB AIC56005 . "ARHGAP26, partial [synthetic construct]" . . . . . 79.17 759 100.00 100.00 7.58e-32 . . . . 11178 1 8 no GB EAW61876 . "Rho GTPase activating protein 26, isoform CRA_a [Homo sapiens]" . . . . . 79.17 759 100.00 100.00 7.58e-32 . . . . 11178 1 9 no GB EAW61877 . "Rho GTPase activating protein 26, isoform CRA_b [Homo sapiens]" . . . . . 84.72 814 98.36 98.36 3.06e-33 . . . . 11178 1 10 no REF NP_001129080 . "rho GTPase-activating protein 26 isoform b [Homo sapiens]" . . . . . 79.17 759 100.00 100.00 7.58e-32 . . . . 11178 1 11 no REF NP_001192451 . "rho GTPase-activating protein 26 [Bos taurus]" . . . . . 84.72 815 98.36 98.36 2.89e-33 . . . . 11178 1 12 no REF NP_055886 . "rho GTPase-activating protein 26 isoform a [Homo sapiens]" . . . . . 84.72 814 98.36 98.36 3.06e-33 . . . . 11178 1 13 no REF XP_001096464 . "PREDICTED: rho GTPase-activating protein 26 isoform 1 [Macaca mulatta]" . . . . . 79.17 759 100.00 100.00 8.97e-32 . . . . 11178 1 14 no REF XP_001154393 . "PREDICTED: rho GTPase-activating protein 26 isoform X3 [Pan troglodytes]" . . . . . 84.72 814 98.36 98.36 3.18e-33 . . . . 11178 1 15 no SP Q9UNA1 . "RecName: Full=Rho GTPase-activating protein 26; AltName: Full=GTPase regulator associated with focal adhesion kinase; AltName: " . . . . . 84.72 814 98.36 98.36 3.06e-33 . . . . 11178 1 16 no TPG DAA27326 . "TPA: Rho GTPase activating protein 26 [Bos taurus]" . . . . . 84.72 433 98.36 98.36 2.48e-34 . . . . 11178 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11178 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 . GLY . 11178 1 2 . SER . 11178 1 3 . SER . 11178 1 4 . GLY . 11178 1 5 . SER . 11178 1 6 . SER . 11178 1 7 . GLY . 11178 1 8 . THR . 11178 1 9 . PRO . 11178 1 10 . PHE . 11178 1 11 . ARG . 11178 1 12 . LYS . 11178 1 13 . ALA . 11178 1 14 . LYS . 11178 1 15 . ALA . 11178 1 16 . LEU . 11178 1 17 . TYR . 11178 1 18 . ALA . 11178 1 19 . CYS . 11178 1 20 . LYS . 11178 1 21 . ALA . 11178 1 22 . GLU . 11178 1 23 . HIS . 11178 1 24 . ASP . 11178 1 25 . SER . 11178 1 26 . GLU . 11178 1 27 . LEU . 11178 1 28 . SER . 11178 1 29 . PHE . 11178 1 30 . THR . 11178 1 31 . ALA . 11178 1 32 . GLY . 11178 1 33 . THR . 11178 1 34 . VAL . 11178 1 35 . PHE . 11178 1 36 . ASP . 11178 1 37 . ASN . 11178 1 38 . VAL . 11178 1 39 . HIS . 11178 1 40 . PRO . 11178 1 41 . SER . 11178 1 42 . GLN . 11178 1 43 . GLU . 11178 1 44 . PRO . 11178 1 45 . GLY . 11178 1 46 . TRP . 11178 1 47 . LEU . 11178 1 48 . GLU . 11178 1 49 . GLY . 11178 1 50 . THR . 11178 1 51 . LEU . 11178 1 52 . ASN . 11178 1 53 . GLY . 11178 1 54 . LYS . 11178 1 55 . THR . 11178 1 56 . GLY . 11178 1 57 . LEU . 11178 1 58 . ILE . 11178 1 59 . PRO . 11178 1 60 . GLU . 11178 1 61 . ASN . 11178 1 62 . TYR . 11178 1 63 . VAL . 11178 1 64 . GLU . 11178 1 65 . PHE . 11178 1 66 . LEU . 11178 1 67 . SER . 11178 1 68 . GLY . 11178 1 69 . PRO . 11178 1 70 . SER . 11178 1 71 . SER . 11178 1 72 . GLY . 11178 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 . GLY 1 1 11178 1 . SER 2 2 11178 1 . SER 3 3 11178 1 . GLY 4 4 11178 1 . SER 5 5 11178 1 . SER 6 6 11178 1 . GLY 7 7 11178 1 . THR 8 8 11178 1 . PRO 9 9 11178 1 . PHE 10 10 11178 1 . ARG 11 11 11178 1 . LYS 12 12 11178 1 . ALA 13 13 11178 1 . LYS 14 14 11178 1 . ALA 15 15 11178 1 . LEU 16 16 11178 1 . TYR 17 17 11178 1 . ALA 18 18 11178 1 . CYS 19 19 11178 1 . LYS 20 20 11178 1 . ALA 21 21 11178 1 . GLU 22 22 11178 1 . HIS 23 23 11178 1 . ASP 24 24 11178 1 . SER 25 25 11178 1 . GLU 26 26 11178 1 . LEU 27 27 11178 1 . SER 28 28 11178 1 . PHE 29 29 11178 1 . THR 30 30 11178 1 . ALA 31 31 11178 1 . GLY 32 32 11178 1 . THR 33 33 11178 1 . VAL 34 34 11178 1 . PHE 35 35 11178 1 . ASP 36 36 11178 1 . ASN 37 37 11178 1 . VAL 38 38 11178 1 . HIS 39 39 11178 1 . PRO 40 40 11178 1 . SER 41 41 11178 1 . GLN 42 42 11178 1 . GLU 43 43 11178 1 . PRO 44 44 11178 1 . GLY 45 45 11178 1 . TRP 46 46 11178 1 . LEU 47 47 11178 1 . GLU 48 48 11178 1 . GLY 49 49 11178 1 . THR 50 50 11178 1 . LEU 51 51 11178 1 . ASN 52 52 11178 1 . GLY 53 53 11178 1 . LYS 54 54 11178 1 . THR 55 55 11178 1 . GLY 56 56 11178 1 . LEU 57 57 11178 1 . ILE 58 58 11178 1 . PRO 59 59 11178 1 . GLU 60 60 11178 1 . ASN 61 61 11178 1 . TYR 62 62 11178 1 . VAL 63 63 11178 1 . GLU 64 64 11178 1 . PHE 65 65 11178 1 . LEU 66 66 11178 1 . SER 67 67 11178 1 . GLY 68 68 11178 1 . PRO 69 69 11178 1 . SER 70 70 11178 1 . SER 71 71 11178 1 . GLY 72 72 11178 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 11178 _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 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11178 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 11178 _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 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P021021-18 . . . . . . 11178 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11178 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.2mM SH3 domain {U-15N,13C;} 20mM Tris buffer {NA;} 100mM {NaCl;} 1mM {d10-DTT;} 0.02% {NaN3;} 10% D2O ; _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 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.2 . . mM . . . . 11178 1 2 Tris 'natural abundance' . . . . . buffer 20 . . mM . . . . 11178 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11178 1 4 d10-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11178 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11178 1 6 H2O . . . . . . solvent 90 . . % . . . . 11178 1 7 D2O . . . . . . solvent 10 . . % . . . . 11178 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11178 _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' 120 0.1 mM 11178 1 pH 7.0 0.05 pH 11178 1 pressure 1 0.001 atm 11178 1 temperature 298 0.1 K 11178 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11178 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11178 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11178 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11178 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11178 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11178 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11178 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11178 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11178 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11178 _Software.ID 4 _Software.Name Kujira _Software.Version 0.816 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11178 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11178 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11178 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11178 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11178 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 11178 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11178 _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 . 800 . . . 11178 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 11178 _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 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11178 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11178 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11178 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 11178 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11178 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11178 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11178 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11178 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11178 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $VNMR . . 11178 1 2 $NMRPipe . . 11178 1 3 $NMRView . . 11178 1 4 $Kujira . . 11178 1 5 $CYANA . . 11178 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 7 7 GLY HA2 H 1 3.967 0.030 . 1 . . . . 7 GLY HA2 . 11178 1 2 . 1 1 7 7 GLY HA3 H 1 3.967 0.030 . 1 . . . . 7 GLY HA3 . 11178 1 3 . 1 1 7 7 GLY CA C 13 45.216 0.300 . 1 . . . . 7 GLY CA . 11178 1 4 . 1 1 8 8 THR H H 1 8.040 0.030 . 1 . . . . 8 THR H . 11178 1 5 . 1 1 8 8 THR HA H 1 4.558 0.030 . 1 . . . . 8 THR HA . 11178 1 6 . 1 1 8 8 THR HB H 1 4.056 0.030 . 1 . . . . 8 THR HB . 11178 1 7 . 1 1 8 8 THR HG21 H 1 1.163 0.030 . 1 . . . . 8 THR HG2 . 11178 1 8 . 1 1 8 8 THR HG22 H 1 1.163 0.030 . 1 . . . . 8 THR HG2 . 11178 1 9 . 1 1 8 8 THR HG23 H 1 1.163 0.030 . 1 . . . . 8 THR HG2 . 11178 1 10 . 1 1 8 8 THR C C 13 172.869 0.300 . 1 . . . . 8 THR C . 11178 1 11 . 1 1 8 8 THR CA C 13 59.644 0.300 . 1 . . . . 8 THR CA . 11178 1 12 . 1 1 8 8 THR CB C 13 69.872 0.300 . 1 . . . . 8 THR CB . 11178 1 13 . 1 1 8 8 THR CG2 C 13 21.343 0.300 . 1 . . . . 8 THR CG2 . 11178 1 14 . 1 1 8 8 THR N N 15 116.379 0.300 . 1 . . . . 8 THR N . 11178 1 15 . 1 1 9 9 PRO HA H 1 4.359 0.030 . 1 . . . . 9 PRO HA . 11178 1 16 . 1 1 9 9 PRO HB2 H 1 1.704 0.030 . 2 . . . . 9 PRO HB2 . 11178 1 17 . 1 1 9 9 PRO HB3 H 1 2.137 0.030 . 2 . . . . 9 PRO HB3 . 11178 1 18 . 1 1 9 9 PRO HD2 H 1 3.594 0.030 . 2 . . . . 9 PRO HD2 . 11178 1 19 . 1 1 9 9 PRO HD3 H 1 3.741 0.030 . 2 . . . . 9 PRO HD3 . 11178 1 20 . 1 1 9 9 PRO HG2 H 1 1.793 0.030 . 2 . . . . 9 PRO HG2 . 11178 1 21 . 1 1 9 9 PRO HG3 H 1 1.888 0.030 . 2 . . . . 9 PRO HG3 . 11178 1 22 . 1 1 9 9 PRO CA C 13 63.097 0.300 . 1 . . . . 9 PRO CA . 11178 1 23 . 1 1 9 9 PRO CB C 13 31.979 0.300 . 1 . . . . 9 PRO CB . 11178 1 24 . 1 1 9 9 PRO CD C 13 50.942 0.300 . 1 . . . . 9 PRO CD . 11178 1 25 . 1 1 9 9 PRO CG C 13 27.113 0.300 . 1 . . . . 9 PRO CG . 11178 1 26 . 1 1 10 10 PHE H H 1 8.157 0.030 . 1 . . . . 10 PHE H . 11178 1 27 . 1 1 10 10 PHE HA H 1 4.826 0.030 . 1 . . . . 10 PHE HA . 11178 1 28 . 1 1 10 10 PHE HB2 H 1 3.057 0.030 . 2 . . . . 10 PHE HB2 . 11178 1 29 . 1 1 10 10 PHE HB3 H 1 3.202 0.030 . 2 . . . . 10 PHE HB3 . 11178 1 30 . 1 1 10 10 PHE HD1 H 1 7.173 0.030 . 1 . . . . 10 PHE HD1 . 11178 1 31 . 1 1 10 10 PHE HD2 H 1 7.173 0.030 . 1 . . . . 10 PHE HD2 . 11178 1 32 . 1 1 10 10 PHE HE1 H 1 7.170 0.030 . 1 . . . . 10 PHE HE1 . 11178 1 33 . 1 1 10 10 PHE HE2 H 1 7.170 0.030 . 1 . . . . 10 PHE HE2 . 11178 1 34 . 1 1 10 10 PHE HZ H 1 7.170 0.030 . 1 . . . . 10 PHE HZ . 11178 1 35 . 1 1 10 10 PHE C C 13 175.799 0.300 . 1 . . . . 10 PHE C . 11178 1 36 . 1 1 10 10 PHE CA C 13 56.662 0.300 . 1 . . . . 10 PHE CA . 11178 1 37 . 1 1 10 10 PHE CB C 13 39.552 0.300 . 1 . . . . 10 PHE CB . 11178 1 38 . 1 1 10 10 PHE CD1 C 13 130.840 0.300 . 1 . . . . 10 PHE CD1 . 11178 1 39 . 1 1 10 10 PHE CD2 C 13 130.840 0.300 . 1 . . . . 10 PHE CD2 . 11178 1 40 . 1 1 10 10 PHE CE1 C 13 131.481 0.300 . 1 . . . . 10 PHE CE1 . 11178 1 41 . 1 1 10 10 PHE CE2 C 13 131.481 0.300 . 1 . . . . 10 PHE CE2 . 11178 1 42 . 1 1 10 10 PHE CZ C 13 129.692 0.300 . 1 . . . . 10 PHE CZ . 11178 1 43 . 1 1 10 10 PHE N N 15 119.778 0.300 . 1 . . . . 10 PHE N . 11178 1 44 . 1 1 11 11 ARG H H 1 8.584 0.030 . 1 . . . . 11 ARG H . 11178 1 45 . 1 1 11 11 ARG HA H 1 4.728 0.030 . 1 . . . . 11 ARG HA . 11178 1 46 . 1 1 11 11 ARG HB2 H 1 1.895 0.030 . 2 . . . . 11 ARG HB2 . 11178 1 47 . 1 1 11 11 ARG HB3 H 1 2.290 0.030 . 2 . . . . 11 ARG HB3 . 11178 1 48 . 1 1 11 11 ARG HD2 H 1 3.029 0.030 . 1 . . . . 11 ARG HD2 . 11178 1 49 . 1 1 11 11 ARG HD3 H 1 3.029 0.030 . 1 . . . . 11 ARG HD3 . 11178 1 50 . 1 1 11 11 ARG HG2 H 1 1.726 0.030 . 1 . . . . 11 ARG HG2 . 11178 1 51 . 1 1 11 11 ARG HG3 H 1 1.726 0.030 . 1 . . . . 11 ARG HG3 . 11178 1 52 . 1 1 11 11 ARG C C 13 175.085 0.300 . 1 . . . . 11 ARG C . 11178 1 53 . 1 1 11 11 ARG CA C 13 55.929 0.300 . 1 . . . . 11 ARG CA . 11178 1 54 . 1 1 11 11 ARG CB C 13 33.792 0.300 . 1 . . . . 11 ARG CB . 11178 1 55 . 1 1 11 11 ARG CD C 13 43.788 0.300 . 1 . . . . 11 ARG CD . 11178 1 56 . 1 1 11 11 ARG CG C 13 27.133 0.300 . 1 . . . . 11 ARG CG . 11178 1 57 . 1 1 11 11 ARG N N 15 121.545 0.300 . 1 . . . . 11 ARG N . 11178 1 58 . 1 1 12 12 LYS H H 1 8.495 0.030 . 1 . . . . 12 LYS H . 11178 1 59 . 1 1 12 12 LYS HA H 1 5.210 0.030 . 1 . . . . 12 LYS HA . 11178 1 60 . 1 1 12 12 LYS HB2 H 1 1.763 0.030 . 2 . . . . 12 LYS HB2 . 11178 1 61 . 1 1 12 12 LYS HB3 H 1 1.834 0.030 . 2 . . . . 12 LYS HB3 . 11178 1 62 . 1 1 12 12 LYS HD2 H 1 1.676 0.030 . 1 . . . . 12 LYS HD2 . 11178 1 63 . 1 1 12 12 LYS HD3 H 1 1.676 0.030 . 1 . . . . 12 LYS HD3 . 11178 1 64 . 1 1 12 12 LYS HE2 H 1 2.981 0.030 . 1 . . . . 12 LYS HE2 . 11178 1 65 . 1 1 12 12 LYS HE3 H 1 2.981 0.030 . 1 . . . . 12 LYS HE3 . 11178 1 66 . 1 1 12 12 LYS HG2 H 1 1.654 0.030 . 2 . . . . 12 LYS HG2 . 11178 1 67 . 1 1 12 12 LYS HG3 H 1 1.706 0.030 . 2 . . . . 12 LYS HG3 . 11178 1 68 . 1 1 12 12 LYS C C 13 176.300 0.300 . 1 . . . . 12 LYS C . 11178 1 69 . 1 1 12 12 LYS CA C 13 55.606 0.300 . 1 . . . . 12 LYS CA . 11178 1 70 . 1 1 12 12 LYS CB C 13 36.105 0.300 . 1 . . . . 12 LYS CB . 11178 1 71 . 1 1 12 12 LYS CD C 13 29.635 0.300 . 1 . . . . 12 LYS CD . 11178 1 72 . 1 1 12 12 LYS CE C 13 42.378 0.300 . 1 . . . . 12 LYS CE . 11178 1 73 . 1 1 12 12 LYS CG C 13 26.260 0.300 . 1 . . . . 12 LYS CG . 11178 1 74 . 1 1 12 12 LYS N N 15 119.293 0.300 . 1 . . . . 12 LYS N . 11178 1 75 . 1 1 13 13 ALA H H 1 8.160 0.030 . 1 . . . . 13 ALA H . 11178 1 76 . 1 1 13 13 ALA HA H 1 5.040 0.030 . 1 . . . . 13 ALA HA . 11178 1 77 . 1 1 13 13 ALA HB1 H 1 0.817 0.030 . 1 . . . . 13 ALA HB . 11178 1 78 . 1 1 13 13 ALA HB2 H 1 0.817 0.030 . 1 . . . . 13 ALA HB . 11178 1 79 . 1 1 13 13 ALA HB3 H 1 0.817 0.030 . 1 . . . . 13 ALA HB . 11178 1 80 . 1 1 13 13 ALA C C 13 173.541 0.300 . 1 . . . . 13 ALA C . 11178 1 81 . 1 1 13 13 ALA CA C 13 50.752 0.300 . 1 . . . . 13 ALA CA . 11178 1 82 . 1 1 13 13 ALA CB C 13 23.236 0.300 . 1 . . . . 13 ALA CB . 11178 1 83 . 1 1 13 13 ALA N N 15 120.118 0.300 . 1 . . . . 13 ALA N . 11178 1 84 . 1 1 14 14 LYS H H 1 9.038 0.030 . 1 . . . . 14 LYS H . 11178 1 85 . 1 1 14 14 LYS HA H 1 5.396 0.030 . 1 . . . . 14 LYS HA . 11178 1 86 . 1 1 14 14 LYS HB2 H 1 1.446 0.030 . 2 . . . . 14 LYS HB2 . 11178 1 87 . 1 1 14 14 LYS HB3 H 1 1.670 0.030 . 2 . . . . 14 LYS HB3 . 11178 1 88 . 1 1 14 14 LYS HD2 H 1 1.578 0.030 . 1 . . . . 14 LYS HD2 . 11178 1 89 . 1 1 14 14 LYS HD3 H 1 1.578 0.030 . 1 . . . . 14 LYS HD3 . 11178 1 90 . 1 1 14 14 LYS HE2 H 1 2.781 0.030 . 2 . . . . 14 LYS HE2 . 11178 1 91 . 1 1 14 14 LYS HE3 H 1 2.827 0.030 . 2 . . . . 14 LYS HE3 . 11178 1 92 . 1 1 14 14 LYS HG2 H 1 1.131 0.030 . 2 . . . . 14 LYS HG2 . 11178 1 93 . 1 1 14 14 LYS HG3 H 1 1.192 0.030 . 2 . . . . 14 LYS HG3 . 11178 1 94 . 1 1 14 14 LYS C C 13 175.699 0.300 . 1 . . . . 14 LYS C . 11178 1 95 . 1 1 14 14 LYS CA C 13 53.495 0.300 . 1 . . . . 14 LYS CA . 11178 1 96 . 1 1 14 14 LYS CB C 13 36.833 0.300 . 1 . . . . 14 LYS CB . 11178 1 97 . 1 1 14 14 LYS CD C 13 29.618 0.300 . 1 . . . . 14 LYS CD . 11178 1 98 . 1 1 14 14 LYS CE C 13 41.799 0.300 . 1 . . . . 14 LYS CE . 11178 1 99 . 1 1 14 14 LYS CG C 13 24.262 0.300 . 1 . . . . 14 LYS CG . 11178 1 100 . 1 1 14 14 LYS N N 15 120.276 0.300 . 1 . . . . 14 LYS N . 11178 1 101 . 1 1 15 15 ALA H H 1 9.200 0.030 . 1 . . . . 15 ALA H . 11178 1 102 . 1 1 15 15 ALA HA H 1 4.720 0.030 . 1 . . . . 15 ALA HA . 11178 1 103 . 1 1 15 15 ALA HB1 H 1 1.765 0.030 . 1 . . . . 15 ALA HB . 11178 1 104 . 1 1 15 15 ALA HB2 H 1 1.765 0.030 . 1 . . . . 15 ALA HB . 11178 1 105 . 1 1 15 15 ALA HB3 H 1 1.765 0.030 . 1 . . . . 15 ALA HB . 11178 1 106 . 1 1 15 15 ALA C C 13 179.172 0.300 . 1 . . . . 15 ALA C . 11178 1 107 . 1 1 15 15 ALA CA C 13 52.105 0.300 . 1 . . . . 15 ALA CA . 11178 1 108 . 1 1 15 15 ALA CB C 13 21.141 0.300 . 1 . . . . 15 ALA CB . 11178 1 109 . 1 1 15 15 ALA N N 15 125.891 0.300 . 1 . . . . 15 ALA N . 11178 1 110 . 1 1 16 16 LEU H H 1 9.455 0.030 . 1 . . . . 16 LEU H . 11178 1 111 . 1 1 16 16 LEU HA H 1 3.967 0.030 . 1 . . . . 16 LEU HA . 11178 1 112 . 1 1 16 16 LEU HB2 H 1 0.552 0.030 . 2 . . . . 16 LEU HB2 . 11178 1 113 . 1 1 16 16 LEU HB3 H 1 0.759 0.030 . 2 . . . . 16 LEU HB3 . 11178 1 114 . 1 1 16 16 LEU HD11 H 1 0.634 0.030 . 1 . . . . 16 LEU HD1 . 11178 1 115 . 1 1 16 16 LEU HD12 H 1 0.634 0.030 . 1 . . . . 16 LEU HD1 . 11178 1 116 . 1 1 16 16 LEU HD13 H 1 0.634 0.030 . 1 . . . . 16 LEU HD1 . 11178 1 117 . 1 1 16 16 LEU HD21 H 1 0.644 0.030 . 1 . . . . 16 LEU HD2 . 11178 1 118 . 1 1 16 16 LEU HD22 H 1 0.644 0.030 . 1 . . . . 16 LEU HD2 . 11178 1 119 . 1 1 16 16 LEU HD23 H 1 0.644 0.030 . 1 . . . . 16 LEU HD2 . 11178 1 120 . 1 1 16 16 LEU HG H 1 1.246 0.030 . 1 . . . . 16 LEU HG . 11178 1 121 . 1 1 16 16 LEU C C 13 175.528 0.300 . 1 . . . . 16 LEU C . 11178 1 122 . 1 1 16 16 LEU CA C 13 55.591 0.300 . 1 . . . . 16 LEU CA . 11178 1 123 . 1 1 16 16 LEU CB C 13 42.989 0.300 . 1 . . . . 16 LEU CB . 11178 1 124 . 1 1 16 16 LEU CD1 C 13 25.252 0.300 . 2 . . . . 16 LEU CD1 . 11178 1 125 . 1 1 16 16 LEU CD2 C 13 22.087 0.300 . 2 . . . . 16 LEU CD2 . 11178 1 126 . 1 1 16 16 LEU CG C 13 27.052 0.300 . 1 . . . . 16 LEU CG . 11178 1 127 . 1 1 16 16 LEU N N 15 126.077 0.300 . 1 . . . . 16 LEU N . 11178 1 128 . 1 1 17 17 TYR H H 1 6.942 0.030 . 1 . . . . 17 TYR H . 11178 1 129 . 1 1 17 17 TYR HA H 1 4.842 0.030 . 1 . . . . 17 TYR HA . 11178 1 130 . 1 1 17 17 TYR HB2 H 1 2.153 0.030 . 2 . . . . 17 TYR HB2 . 11178 1 131 . 1 1 17 17 TYR HB3 H 1 3.205 0.030 . 2 . . . . 17 TYR HB3 . 11178 1 132 . 1 1 17 17 TYR HD1 H 1 6.535 0.030 . 1 . . . . 17 TYR HD1 . 11178 1 133 . 1 1 17 17 TYR HD2 H 1 6.535 0.030 . 1 . . . . 17 TYR HD2 . 11178 1 134 . 1 1 17 17 TYR HE1 H 1 6.670 0.030 . 1 . . . . 17 TYR HE1 . 11178 1 135 . 1 1 17 17 TYR HE2 H 1 6.670 0.030 . 1 . . . . 17 TYR HE2 . 11178 1 136 . 1 1 17 17 TYR C C 13 173.370 0.300 . 1 . . . . 17 TYR C . 11178 1 137 . 1 1 17 17 TYR CA C 13 53.748 0.300 . 1 . . . . 17 TYR CA . 11178 1 138 . 1 1 17 17 TYR CB C 13 42.376 0.300 . 1 . . . . 17 TYR CB . 11178 1 139 . 1 1 17 17 TYR CD1 C 13 133.485 0.300 . 1 . . . . 17 TYR CD1 . 11178 1 140 . 1 1 17 17 TYR CD2 C 13 133.485 0.300 . 1 . . . . 17 TYR CD2 . 11178 1 141 . 1 1 17 17 TYR CE1 C 13 117.548 0.300 . 1 . . . . 17 TYR CE1 . 11178 1 142 . 1 1 17 17 TYR CE2 C 13 117.548 0.300 . 1 . . . . 17 TYR CE2 . 11178 1 143 . 1 1 17 17 TYR N N 15 112.952 0.300 . 1 . . . . 17 TYR N . 11178 1 144 . 1 1 18 18 ALA H H 1 8.310 0.030 . 1 . . . . 18 ALA H . 11178 1 145 . 1 1 18 18 ALA HA H 1 4.402 0.030 . 1 . . . . 18 ALA HA . 11178 1 146 . 1 1 18 18 ALA HB1 H 1 1.515 0.030 . 1 . . . . 18 ALA HB . 11178 1 147 . 1 1 18 18 ALA HB2 H 1 1.515 0.030 . 1 . . . . 18 ALA HB . 11178 1 148 . 1 1 18 18 ALA HB3 H 1 1.515 0.030 . 1 . . . . 18 ALA HB . 11178 1 149 . 1 1 18 18 ALA C C 13 176.785 0.300 . 1 . . . . 18 ALA C . 11178 1 150 . 1 1 18 18 ALA CA C 13 51.467 0.300 . 1 . . . . 18 ALA CA . 11178 1 151 . 1 1 18 18 ALA CB C 13 20.035 0.300 . 1 . . . . 18 ALA CB . 11178 1 152 . 1 1 18 18 ALA N N 15 119.758 0.300 . 1 . . . . 18 ALA N . 11178 1 153 . 1 1 19 19 CYS H H 1 8.277 0.030 . 1 . . . . 19 CYS H . 11178 1 154 . 1 1 19 19 CYS HA H 1 4.370 0.030 . 1 . . . . 19 CYS HA . 11178 1 155 . 1 1 19 19 CYS HB2 H 1 1.094 0.030 . 2 . . . . 19 CYS HB2 . 11178 1 156 . 1 1 19 19 CYS HB3 H 1 1.980 0.030 . 2 . . . . 19 CYS HB3 . 11178 1 157 . 1 1 19 19 CYS C C 13 173.141 0.300 . 1 . . . . 19 CYS C . 11178 1 158 . 1 1 19 19 CYS CA C 13 58.461 0.300 . 1 . . . . 19 CYS CA . 11178 1 159 . 1 1 19 19 CYS CB C 13 30.498 0.300 . 1 . . . . 19 CYS CB . 11178 1 160 . 1 1 19 19 CYS N N 15 119.184 0.300 . 1 . . . . 19 CYS N . 11178 1 161 . 1 1 20 20 LYS H H 1 8.638 0.030 . 1 . . . . 20 LYS H . 11178 1 162 . 1 1 20 20 LYS HA H 1 4.485 0.030 . 1 . . . . 20 LYS HA . 11178 1 163 . 1 1 20 20 LYS HB2 H 1 1.602 0.030 . 2 . . . . 20 LYS HB2 . 11178 1 164 . 1 1 20 20 LYS HB3 H 1 1.766 0.030 . 2 . . . . 20 LYS HB3 . 11178 1 165 . 1 1 20 20 LYS HD2 H 1 1.633 0.030 . 2 . . . . 20 LYS HD2 . 11178 1 166 . 1 1 20 20 LYS HD3 H 1 1.675 0.030 . 2 . . . . 20 LYS HD3 . 11178 1 167 . 1 1 20 20 LYS HE2 H 1 2.961 0.030 . 1 . . . . 20 LYS HE2 . 11178 1 168 . 1 1 20 20 LYS HE3 H 1 2.961 0.030 . 1 . . . . 20 LYS HE3 . 11178 1 169 . 1 1 20 20 LYS HG2 H 1 1.274 0.030 . 2 . . . . 20 LYS HG2 . 11178 1 170 . 1 1 20 20 LYS HG3 H 1 1.368 0.030 . 2 . . . . 20 LYS HG3 . 11178 1 171 . 1 1 20 20 LYS C C 13 174.770 0.300 . 1 . . . . 20 LYS C . 11178 1 172 . 1 1 20 20 LYS CA C 13 54.683 0.300 . 1 . . . . 20 LYS CA . 11178 1 173 . 1 1 20 20 LYS CB C 13 32.902 0.300 . 1 . . . . 20 LYS CB . 11178 1 174 . 1 1 20 20 LYS CD C 13 29.094 0.300 . 1 . . . . 20 LYS CD . 11178 1 175 . 1 1 20 20 LYS CE C 13 42.145 0.300 . 1 . . . . 20 LYS CE . 11178 1 176 . 1 1 20 20 LYS CG C 13 24.531 0.300 . 1 . . . . 20 LYS CG . 11178 1 177 . 1 1 20 20 LYS N N 15 132.019 0.300 . 1 . . . . 20 LYS N . 11178 1 178 . 1 1 21 21 ALA H H 1 8.496 0.030 . 1 . . . . 21 ALA H . 11178 1 179 . 1 1 21 21 ALA HA H 1 4.213 0.030 . 1 . . . . 21 ALA HA . 11178 1 180 . 1 1 21 21 ALA HB1 H 1 1.328 0.030 . 1 . . . . 21 ALA HB . 11178 1 181 . 1 1 21 21 ALA HB2 H 1 1.328 0.030 . 1 . . . . 21 ALA HB . 11178 1 182 . 1 1 21 21 ALA HB3 H 1 1.328 0.030 . 1 . . . . 21 ALA HB . 11178 1 183 . 1 1 21 21 ALA C C 13 178.243 0.300 . 1 . . . . 21 ALA C . 11178 1 184 . 1 1 21 21 ALA CA C 13 52.812 0.300 . 1 . . . . 21 ALA CA . 11178 1 185 . 1 1 21 21 ALA CB C 13 21.138 0.300 . 1 . . . . 21 ALA CB . 11178 1 186 . 1 1 21 21 ALA N N 15 129.764 0.300 . 1 . . . . 21 ALA N . 11178 1 187 . 1 1 22 22 GLU H H 1 8.737 0.030 . 1 . . . . 22 GLU H . 11178 1 188 . 1 1 22 22 GLU HA H 1 4.246 0.030 . 1 . . . . 22 GLU HA . 11178 1 189 . 1 1 22 22 GLU HB2 H 1 1.774 0.030 . 2 . . . . 22 GLU HB2 . 11178 1 190 . 1 1 22 22 GLU HB3 H 1 1.847 0.030 . 2 . . . . 22 GLU HB3 . 11178 1 191 . 1 1 22 22 GLU HG2 H 1 2.035 0.030 . 2 . . . . 22 GLU HG2 . 11178 1 192 . 1 1 22 22 GLU HG3 H 1 2.216 0.030 . 2 . . . . 22 GLU HG3 . 11178 1 193 . 1 1 22 22 GLU C C 13 175.714 0.300 . 1 . . . . 22 GLU C . 11178 1 194 . 1 1 22 22 GLU CA C 13 56.247 0.300 . 1 . . . . 22 GLU CA . 11178 1 195 . 1 1 22 22 GLU CB C 13 31.117 0.300 . 1 . . . . 22 GLU CB . 11178 1 196 . 1 1 22 22 GLU CG C 13 36.262 0.300 . 1 . . . . 22 GLU CG . 11178 1 197 . 1 1 22 22 GLU N N 15 119.751 0.300 . 1 . . . . 22 GLU N . 11178 1 198 . 1 1 23 23 HIS H H 1 7.305 0.030 . 1 . . . . 23 HIS H . 11178 1 199 . 1 1 23 23 HIS HA H 1 4.807 0.030 . 1 . . . . 23 HIS HA . 11178 1 200 . 1 1 23 23 HIS HB2 H 1 2.710 0.030 . 2 . . . . 23 HIS HB2 . 11178 1 201 . 1 1 23 23 HIS HB3 H 1 3.219 0.030 . 2 . . . . 23 HIS HB3 . 11178 1 202 . 1 1 23 23 HIS HD2 H 1 7.248 0.030 . 1 . . . . 23 HIS HD2 . 11178 1 203 . 1 1 23 23 HIS HE1 H 1 8.171 0.030 . 1 . . . . 23 HIS HE1 . 11178 1 204 . 1 1 23 23 HIS C C 13 175.751 0.300 . 1 . . . . 23 HIS C . 11178 1 205 . 1 1 23 23 HIS CA C 13 54.821 0.300 . 1 . . . . 23 HIS CA . 11178 1 206 . 1 1 23 23 HIS CB C 13 32.458 0.300 . 1 . . . . 23 HIS CB . 11178 1 207 . 1 1 23 23 HIS CD2 C 13 120.160 0.300 . 1 . . . . 23 HIS CD2 . 11178 1 208 . 1 1 23 23 HIS CE1 C 13 136.846 0.300 . 1 . . . . 23 HIS CE1 . 11178 1 209 . 1 1 23 23 HIS N N 15 115.580 0.300 . 1 . . . . 23 HIS N . 11178 1 210 . 1 1 24 24 ASP H H 1 7.754 0.030 . 1 . . . . 24 ASP H . 11178 1 211 . 1 1 24 24 ASP HA H 1 4.405 0.030 . 1 . . . . 24 ASP HA . 11178 1 212 . 1 1 24 24 ASP HB2 H 1 2.663 0.030 . 1 . . . . 24 ASP HB2 . 11178 1 213 . 1 1 24 24 ASP HB3 H 1 2.663 0.030 . 1 . . . . 24 ASP HB3 . 11178 1 214 . 1 1 24 24 ASP CA C 13 56.853 0.300 . 1 . . . . 24 ASP CA . 11178 1 215 . 1 1 24 24 ASP CB C 13 40.685 0.300 . 1 . . . . 24 ASP CB . 11178 1 216 . 1 1 25 25 SER H H 1 8.086 0.030 . 1 . . . . 25 SER H . 11178 1 217 . 1 1 25 25 SER HA H 1 4.337 0.030 . 1 . . . . 25 SER HA . 11178 1 218 . 1 1 25 25 SER HB2 H 1 3.875 0.030 . 2 . . . . 25 SER HB2 . 11178 1 219 . 1 1 25 25 SER HB3 H 1 3.910 0.030 . 2 . . . . 25 SER HB3 . 11178 1 220 . 1 1 25 25 SER C C 13 174.556 0.300 . 1 . . . . 25 SER C . 11178 1 221 . 1 1 25 25 SER CA C 13 58.600 0.300 . 1 . . . . 25 SER CA . 11178 1 222 . 1 1 25 25 SER CB C 13 63.096 0.300 . 1 . . . . 25 SER CB . 11178 1 223 . 1 1 25 25 SER N N 15 111.431 0.300 . 1 . . . . 25 SER N . 11178 1 224 . 1 1 26 26 GLU H H 1 7.755 0.030 . 1 . . . . 26 GLU H . 11178 1 225 . 1 1 26 26 GLU HA H 1 4.621 0.030 . 1 . . . . 26 GLU HA . 11178 1 226 . 1 1 26 26 GLU HB2 H 1 2.194 0.030 . 2 . . . . 26 GLU HB2 . 11178 1 227 . 1 1 26 26 GLU HB3 H 1 2.298 0.030 . 2 . . . . 26 GLU HB3 . 11178 1 228 . 1 1 26 26 GLU HG2 H 1 1.952 0.030 . 1 . . . . 26 GLU HG2 . 11178 1 229 . 1 1 26 26 GLU HG3 H 1 1.952 0.030 . 1 . . . . 26 GLU HG3 . 11178 1 230 . 1 1 26 26 GLU C C 13 175.456 0.300 . 1 . . . . 26 GLU C . 11178 1 231 . 1 1 26 26 GLU CA C 13 55.067 0.300 . 1 . . . . 26 GLU CA . 11178 1 232 . 1 1 26 26 GLU CB C 13 31.747 0.300 . 1 . . . . 26 GLU CB . 11178 1 233 . 1 1 26 26 GLU CG C 13 35.888 0.300 . 1 . . . . 26 GLU CG . 11178 1 234 . 1 1 26 26 GLU N N 15 122.452 0.300 . 1 . . . . 26 GLU N . 11178 1 235 . 1 1 27 27 LEU H H 1 8.144 0.030 . 1 . . . . 27 LEU H . 11178 1 236 . 1 1 27 27 LEU HA H 1 4.661 0.030 . 1 . . . . 27 LEU HA . 11178 1 237 . 1 1 27 27 LEU HB2 H 1 1.625 0.030 . 2 . . . . 27 LEU HB2 . 11178 1 238 . 1 1 27 27 LEU HB3 H 1 1.798 0.030 . 2 . . . . 27 LEU HB3 . 11178 1 239 . 1 1 27 27 LEU HD11 H 1 0.902 0.030 . 1 . . . . 27 LEU HD1 . 11178 1 240 . 1 1 27 27 LEU HD12 H 1 0.902 0.030 . 1 . . . . 27 LEU HD1 . 11178 1 241 . 1 1 27 27 LEU HD13 H 1 0.902 0.030 . 1 . . . . 27 LEU HD1 . 11178 1 242 . 1 1 27 27 LEU HD21 H 1 0.835 0.030 . 1 . . . . 27 LEU HD2 . 11178 1 243 . 1 1 27 27 LEU HD22 H 1 0.835 0.030 . 1 . . . . 27 LEU HD2 . 11178 1 244 . 1 1 27 27 LEU HD23 H 1 0.835 0.030 . 1 . . . . 27 LEU HD2 . 11178 1 245 . 1 1 27 27 LEU HG H 1 1.400 0.030 . 1 . . . . 27 LEU HG . 11178 1 246 . 1 1 27 27 LEU C C 13 177.057 0.300 . 1 . . . . 27 LEU C . 11178 1 247 . 1 1 27 27 LEU CA C 13 54.609 0.300 . 1 . . . . 27 LEU CA . 11178 1 248 . 1 1 27 27 LEU CB C 13 43.572 0.300 . 1 . . . . 27 LEU CB . 11178 1 249 . 1 1 27 27 LEU CD1 C 13 21.939 0.300 . 2 . . . . 27 LEU CD1 . 11178 1 250 . 1 1 27 27 LEU CD2 C 13 26.062 0.300 . 2 . . . . 27 LEU CD2 . 11178 1 251 . 1 1 27 27 LEU CG C 13 27.409 0.300 . 1 . . . . 27 LEU CG . 11178 1 252 . 1 1 27 27 LEU N N 15 118.743 0.300 . 1 . . . . 27 LEU N . 11178 1 253 . 1 1 28 28 SER H H 1 8.141 0.030 . 1 . . . . 28 SER H . 11178 1 254 . 1 1 28 28 SER HA H 1 4.919 0.030 . 1 . . . . 28 SER HA . 11178 1 255 . 1 1 28 28 SER HB2 H 1 3.816 0.030 . 2 . . . . 28 SER HB2 . 11178 1 256 . 1 1 28 28 SER HB3 H 1 4.035 0.030 . 2 . . . . 28 SER HB3 . 11178 1 257 . 1 1 28 28 SER C C 13 174.170 0.300 . 1 . . . . 28 SER C . 11178 1 258 . 1 1 28 28 SER CA C 13 58.048 0.300 . 1 . . . . 28 SER CA . 11178 1 259 . 1 1 28 28 SER CB C 13 65.016 0.300 . 1 . . . . 28 SER CB . 11178 1 260 . 1 1 28 28 SER N N 15 115.268 0.300 . 1 . . . . 28 SER N . 11178 1 261 . 1 1 29 29 PHE H H 1 8.440 0.030 . 1 . . . . 29 PHE H . 11178 1 262 . 1 1 29 29 PHE HA H 1 5.126 0.030 . 1 . . . . 29 PHE HA . 11178 1 263 . 1 1 29 29 PHE HB2 H 1 3.069 0.030 . 2 . . . . 29 PHE HB2 . 11178 1 264 . 1 1 29 29 PHE HB3 H 1 3.574 0.030 . 2 . . . . 29 PHE HB3 . 11178 1 265 . 1 1 29 29 PHE HD1 H 1 6.965 0.030 . 1 . . . . 29 PHE HD1 . 11178 1 266 . 1 1 29 29 PHE HD2 H 1 6.965 0.030 . 1 . . . . 29 PHE HD2 . 11178 1 267 . 1 1 29 29 PHE HE1 H 1 7.706 0.030 . 1 . . . . 29 PHE HE1 . 11178 1 268 . 1 1 29 29 PHE HE2 H 1 7.706 0.030 . 1 . . . . 29 PHE HE2 . 11178 1 269 . 1 1 29 29 PHE HZ H 1 7.145 0.030 . 1 . . . . 29 PHE HZ . 11178 1 270 . 1 1 29 29 PHE C C 13 174.384 0.300 . 1 . . . . 29 PHE C . 11178 1 271 . 1 1 29 29 PHE CA C 13 56.299 0.300 . 1 . . . . 29 PHE CA . 11178 1 272 . 1 1 29 29 PHE CB C 13 39.059 0.300 . 1 . . . . 29 PHE CB . 11178 1 273 . 1 1 29 29 PHE CD1 C 13 133.562 0.300 . 1 . . . . 29 PHE CD1 . 11178 1 274 . 1 1 29 29 PHE CD2 C 13 133.562 0.300 . 1 . . . . 29 PHE CD2 . 11178 1 275 . 1 1 29 29 PHE CE1 C 13 132.121 0.300 . 1 . . . . 29 PHE CE1 . 11178 1 276 . 1 1 29 29 PHE CE2 C 13 132.121 0.300 . 1 . . . . 29 PHE CE2 . 11178 1 277 . 1 1 29 29 PHE CZ C 13 129.699 0.300 . 1 . . . . 29 PHE CZ . 11178 1 278 . 1 1 29 29 PHE N N 15 116.343 0.300 . 1 . . . . 29 PHE N . 11178 1 279 . 1 1 30 30 THR H H 1 7.777 0.030 . 1 . . . . 30 THR H . 11178 1 280 . 1 1 30 30 THR HA H 1 4.554 0.030 . 1 . . . . 30 THR HA . 11178 1 281 . 1 1 30 30 THR HB H 1 4.432 0.030 . 1 . . . . 30 THR HB . 11178 1 282 . 1 1 30 30 THR HG21 H 1 1.264 0.030 . 1 . . . . 30 THR HG2 . 11178 1 283 . 1 1 30 30 THR HG22 H 1 1.264 0.030 . 1 . . . . 30 THR HG2 . 11178 1 284 . 1 1 30 30 THR HG23 H 1 1.264 0.030 . 1 . . . . 30 THR HG2 . 11178 1 285 . 1 1 30 30 THR C C 13 176.671 0.300 . 1 . . . . 30 THR C . 11178 1 286 . 1 1 30 30 THR CA C 13 59.685 0.300 . 1 . . . . 30 THR CA . 11178 1 287 . 1 1 30 30 THR CB C 13 70.687 0.300 . 1 . . . . 30 THR CB . 11178 1 288 . 1 1 30 30 THR CG2 C 13 22.224 0.300 . 1 . . . . 30 THR CG2 . 11178 1 289 . 1 1 30 30 THR N N 15 108.876 0.300 . 1 . . . . 30 THR N . 11178 1 290 . 1 1 31 31 ALA H H 1 8.819 0.030 . 1 . . . . 31 ALA H . 11178 1 291 . 1 1 31 31 ALA HA H 1 3.652 0.030 . 1 . . . . 31 ALA HA . 11178 1 292 . 1 1 31 31 ALA HB1 H 1 1.241 0.030 . 1 . . . . 31 ALA HB . 11178 1 293 . 1 1 31 31 ALA HB2 H 1 1.241 0.030 . 1 . . . . 31 ALA HB . 11178 1 294 . 1 1 31 31 ALA HB3 H 1 1.241 0.030 . 1 . . . . 31 ALA HB . 11178 1 295 . 1 1 31 31 ALA C C 13 177.886 0.300 . 1 . . . . 31 ALA C . 11178 1 296 . 1 1 31 31 ALA CA C 13 54.383 0.300 . 1 . . . . 31 ALA CA . 11178 1 297 . 1 1 31 31 ALA CB C 13 17.901 0.300 . 1 . . . . 31 ALA CB . 11178 1 298 . 1 1 31 31 ALA N N 15 125.594 0.300 . 1 . . . . 31 ALA N . 11178 1 299 . 1 1 32 32 GLY H H 1 8.774 0.030 . 1 . . . . 32 GLY H . 11178 1 300 . 1 1 32 32 GLY HA2 H 1 3.384 0.030 . 2 . . . . 32 GLY HA2 . 11178 1 301 . 1 1 32 32 GLY HA3 H 1 4.393 0.030 . 2 . . . . 32 GLY HA3 . 11178 1 302 . 1 1 32 32 GLY C C 13 173.684 0.300 . 1 . . . . 32 GLY C . 11178 1 303 . 1 1 32 32 GLY CA C 13 45.039 0.300 . 1 . . . . 32 GLY CA . 11178 1 304 . 1 1 32 32 GLY N N 15 110.907 0.300 . 1 . . . . 32 GLY N . 11178 1 305 . 1 1 33 33 THR H H 1 7.324 0.030 . 1 . . . . 33 THR H . 11178 1 306 . 1 1 33 33 THR HA H 1 3.743 0.030 . 1 . . . . 33 THR HA . 11178 1 307 . 1 1 33 33 THR HB H 1 3.631 0.030 . 1 . . . . 33 THR HB . 11178 1 308 . 1 1 33 33 THR HG21 H 1 0.588 0.030 . 1 . . . . 33 THR HG2 . 11178 1 309 . 1 1 33 33 THR HG22 H 1 0.588 0.030 . 1 . . . . 33 THR HG2 . 11178 1 310 . 1 1 33 33 THR HG23 H 1 0.588 0.030 . 1 . . . . 33 THR HG2 . 11178 1 311 . 1 1 33 33 THR C C 13 171.712 0.300 . 1 . . . . 33 THR C . 11178 1 312 . 1 1 33 33 THR CA C 13 65.000 0.300 . 1 . . . . 33 THR CA . 11178 1 313 . 1 1 33 33 THR CB C 13 69.820 0.300 . 1 . . . . 33 THR CB . 11178 1 314 . 1 1 33 33 THR CG2 C 13 22.905 0.300 . 1 . . . . 33 THR CG2 . 11178 1 315 . 1 1 33 33 THR N N 15 117.917 0.300 . 1 . . . . 33 THR N . 11178 1 316 . 1 1 34 34 VAL H H 1 8.097 0.030 . 1 . . . . 34 VAL H . 11178 1 317 . 1 1 34 34 VAL HA H 1 4.573 0.030 . 1 . . . . 34 VAL HA . 11178 1 318 . 1 1 34 34 VAL HB H 1 1.811 0.030 . 1 . . . . 34 VAL HB . 11178 1 319 . 1 1 34 34 VAL HG11 H 1 0.854 0.030 . 1 . . . . 34 VAL HG1 . 11178 1 320 . 1 1 34 34 VAL HG12 H 1 0.854 0.030 . 1 . . . . 34 VAL HG1 . 11178 1 321 . 1 1 34 34 VAL HG13 H 1 0.854 0.030 . 1 . . . . 34 VAL HG1 . 11178 1 322 . 1 1 34 34 VAL HG21 H 1 0.889 0.030 . 1 . . . . 34 VAL HG2 . 11178 1 323 . 1 1 34 34 VAL HG22 H 1 0.889 0.030 . 1 . . . . 34 VAL HG2 . 11178 1 324 . 1 1 34 34 VAL HG23 H 1 0.889 0.030 . 1 . . . . 34 VAL HG2 . 11178 1 325 . 1 1 34 34 VAL C C 13 174.742 0.300 . 1 . . . . 34 VAL C . 11178 1 326 . 1 1 34 34 VAL CA C 13 61.483 0.300 . 1 . . . . 34 VAL CA . 11178 1 327 . 1 1 34 34 VAL CB C 13 33.128 0.300 . 1 . . . . 34 VAL CB . 11178 1 328 . 1 1 34 34 VAL CG1 C 13 21.690 0.300 . 2 . . . . 34 VAL CG1 . 11178 1 329 . 1 1 34 34 VAL CG2 C 13 21.779 0.300 . 2 . . . . 34 VAL CG2 . 11178 1 330 . 1 1 34 34 VAL N N 15 126.358 0.300 . 1 . . . . 34 VAL N . 11178 1 331 . 1 1 35 35 PHE H H 1 8.927 0.030 . 1 . . . . 35 PHE H . 11178 1 332 . 1 1 35 35 PHE HA H 1 4.718 0.030 . 1 . . . . 35 PHE HA . 11178 1 333 . 1 1 35 35 PHE HB2 H 1 2.421 0.030 . 2 . . . . 35 PHE HB2 . 11178 1 334 . 1 1 35 35 PHE HB3 H 1 2.756 0.030 . 2 . . . . 35 PHE HB3 . 11178 1 335 . 1 1 35 35 PHE HD1 H 1 6.634 0.030 . 1 . . . . 35 PHE HD1 . 11178 1 336 . 1 1 35 35 PHE HD2 H 1 6.634 0.030 . 1 . . . . 35 PHE HD2 . 11178 1 337 . 1 1 35 35 PHE HE1 H 1 6.495 0.030 . 1 . . . . 35 PHE HE1 . 11178 1 338 . 1 1 35 35 PHE HE2 H 1 6.495 0.030 . 1 . . . . 35 PHE HE2 . 11178 1 339 . 1 1 35 35 PHE HZ H 1 4.965 0.030 . 1 . . . . 35 PHE HZ . 11178 1 340 . 1 1 35 35 PHE C C 13 174.504 0.300 . 1 . . . . 35 PHE C . 11178 1 341 . 1 1 35 35 PHE CA C 13 55.887 0.300 . 1 . . . . 35 PHE CA . 11178 1 342 . 1 1 35 35 PHE CB C 13 42.821 0.300 . 1 . . . . 35 PHE CB . 11178 1 343 . 1 1 35 35 PHE CD1 C 13 131.200 0.300 . 1 . . . . 35 PHE CD1 . 11178 1 344 . 1 1 35 35 PHE CD2 C 13 131.200 0.300 . 1 . . . . 35 PHE CD2 . 11178 1 345 . 1 1 35 35 PHE CE1 C 13 130.359 0.300 . 1 . . . . 35 PHE CE1 . 11178 1 346 . 1 1 35 35 PHE CE2 C 13 130.359 0.300 . 1 . . . . 35 PHE CE2 . 11178 1 347 . 1 1 35 35 PHE CZ C 13 128.298 0.300 . 1 . . . . 35 PHE CZ . 11178 1 348 . 1 1 35 35 PHE N N 15 125.226 0.300 . 1 . . . . 35 PHE N . 11178 1 349 . 1 1 36 36 ASP H H 1 8.756 0.030 . 1 . . . . 36 ASP H . 11178 1 350 . 1 1 36 36 ASP HA H 1 5.118 0.030 . 1 . . . . 36 ASP HA . 11178 1 351 . 1 1 36 36 ASP HB2 H 1 2.472 0.030 . 2 . . . . 36 ASP HB2 . 11178 1 352 . 1 1 36 36 ASP HB3 H 1 2.586 0.030 . 2 . . . . 36 ASP HB3 . 11178 1 353 . 1 1 36 36 ASP C C 13 175.914 0.300 . 1 . . . . 36 ASP C . 11178 1 354 . 1 1 36 36 ASP CA C 13 52.907 0.300 . 1 . . . . 36 ASP CA . 11178 1 355 . 1 1 36 36 ASP CB C 13 44.214 0.300 . 1 . . . . 36 ASP CB . 11178 1 356 . 1 1 36 36 ASP N N 15 118.409 0.300 . 1 . . . . 36 ASP N . 11178 1 357 . 1 1 37 37 ASN H H 1 8.744 0.030 . 1 . . . . 37 ASN H . 11178 1 358 . 1 1 37 37 ASN HA H 1 4.268 0.030 . 1 . . . . 37 ASN HA . 11178 1 359 . 1 1 37 37 ASN HB2 H 1 2.535 0.030 . 2 . . . . 37 ASN HB2 . 11178 1 360 . 1 1 37 37 ASN HB3 H 1 2.922 0.030 . 2 . . . . 37 ASN HB3 . 11178 1 361 . 1 1 37 37 ASN HD21 H 1 6.770 0.030 . 2 . . . . 37 ASN HD21 . 11178 1 362 . 1 1 37 37 ASN HD22 H 1 7.463 0.030 . 2 . . . . 37 ASN HD22 . 11178 1 363 . 1 1 37 37 ASN C C 13 174.441 0.300 . 1 . . . . 37 ASN C . 11178 1 364 . 1 1 37 37 ASN CA C 13 54.013 0.300 . 1 . . . . 37 ASN CA . 11178 1 365 . 1 1 37 37 ASN CB C 13 37.217 0.300 . 1 . . . . 37 ASN CB . 11178 1 366 . 1 1 37 37 ASN N N 15 117.358 0.300 . 1 . . . . 37 ASN N . 11178 1 367 . 1 1 37 37 ASN ND2 N 15 111.889 0.300 . 1 . . . . 37 ASN ND2 . 11178 1 368 . 1 1 38 38 VAL H H 1 9.084 0.030 . 1 . . . . 38 VAL H . 11178 1 369 . 1 1 38 38 VAL HA H 1 5.067 0.030 . 1 . . . . 38 VAL HA . 11178 1 370 . 1 1 38 38 VAL HB H 1 1.936 0.030 . 1 . . . . 38 VAL HB . 11178 1 371 . 1 1 38 38 VAL HG11 H 1 0.696 0.030 . 1 . . . . 38 VAL HG1 . 11178 1 372 . 1 1 38 38 VAL HG12 H 1 0.696 0.030 . 1 . . . . 38 VAL HG1 . 11178 1 373 . 1 1 38 38 VAL HG13 H 1 0.696 0.030 . 1 . . . . 38 VAL HG1 . 11178 1 374 . 1 1 38 38 VAL HG21 H 1 0.808 0.030 . 1 . . . . 38 VAL HG2 . 11178 1 375 . 1 1 38 38 VAL HG22 H 1 0.808 0.030 . 1 . . . . 38 VAL HG2 . 11178 1 376 . 1 1 38 38 VAL HG23 H 1 0.808 0.030 . 1 . . . . 38 VAL HG2 . 11178 1 377 . 1 1 38 38 VAL C C 13 176.886 0.300 . 1 . . . . 38 VAL C . 11178 1 378 . 1 1 38 38 VAL CA C 13 62.280 0.300 . 1 . . . . 38 VAL CA . 11178 1 379 . 1 1 38 38 VAL CB C 13 31.619 0.300 . 1 . . . . 38 VAL CB . 11178 1 380 . 1 1 38 38 VAL CG1 C 13 24.189 0.300 . 2 . . . . 38 VAL CG1 . 11178 1 381 . 1 1 38 38 VAL CG2 C 13 24.447 0.300 . 2 . . . . 38 VAL CG2 . 11178 1 382 . 1 1 38 38 VAL N N 15 120.441 0.300 . 1 . . . . 38 VAL N . 11178 1 383 . 1 1 39 39 HIS H H 1 8.981 0.030 . 1 . . . . 39 HIS H . 11178 1 384 . 1 1 39 39 HIS HA H 1 5.220 0.030 . 1 . . . . 39 HIS HA . 11178 1 385 . 1 1 39 39 HIS HB2 H 1 3.145 0.030 . 2 . . . . 39 HIS HB2 . 11178 1 386 . 1 1 39 39 HIS HB3 H 1 3.229 0.030 . 2 . . . . 39 HIS HB3 . 11178 1 387 . 1 1 39 39 HIS HD2 H 1 7.229 0.030 . 1 . . . . 39 HIS HD2 . 11178 1 388 . 1 1 39 39 HIS HE1 H 1 8.388 0.030 . 1 . . . . 39 HIS HE1 . 11178 1 389 . 1 1 39 39 HIS C C 13 170.325 0.300 . 1 . . . . 39 HIS C . 11178 1 390 . 1 1 39 39 HIS CA C 13 53.220 0.300 . 1 . . . . 39 HIS CA . 11178 1 391 . 1 1 39 39 HIS CB C 13 28.717 0.300 . 1 . . . . 39 HIS CB . 11178 1 392 . 1 1 39 39 HIS CD2 C 13 121.661 0.300 . 1 . . . . 39 HIS CD2 . 11178 1 393 . 1 1 39 39 HIS CE1 C 13 135.965 0.300 . 1 . . . . 39 HIS CE1 . 11178 1 394 . 1 1 39 39 HIS N N 15 123.072 0.300 . 1 . . . . 39 HIS N . 11178 1 395 . 1 1 40 40 PRO HA H 1 4.465 0.030 . 1 . . . . 40 PRO HA . 11178 1 396 . 1 1 40 40 PRO HB2 H 1 1.968 0.030 . 2 . . . . 40 PRO HB2 . 11178 1 397 . 1 1 40 40 PRO HB3 H 1 2.545 0.030 . 2 . . . . 40 PRO HB3 . 11178 1 398 . 1 1 40 40 PRO HD2 H 1 3.775 0.030 . 2 . . . . 40 PRO HD2 . 11178 1 399 . 1 1 40 40 PRO HD3 H 1 3.886 0.030 . 2 . . . . 40 PRO HD3 . 11178 1 400 . 1 1 40 40 PRO HG2 H 1 1.984 0.030 . 2 . . . . 40 PRO HG2 . 11178 1 401 . 1 1 40 40 PRO HG3 H 1 2.212 0.030 . 2 . . . . 40 PRO HG3 . 11178 1 402 . 1 1 40 40 PRO CA C 13 64.836 0.300 . 1 . . . . 40 PRO CA . 11178 1 403 . 1 1 40 40 PRO CB C 13 32.450 0.300 . 1 . . . . 40 PRO CB . 11178 1 404 . 1 1 40 40 PRO CD C 13 51.075 0.300 . 1 . . . . 40 PRO CD . 11178 1 405 . 1 1 40 40 PRO CG C 13 28.340 0.300 . 1 . . . . 40 PRO CG . 11178 1 406 . 1 1 41 41 SER H H 1 8.069 0.030 . 1 . . . . 41 SER H . 11178 1 407 . 1 1 41 41 SER HA H 1 4.720 0.030 . 1 . . . . 41 SER HA . 11178 1 408 . 1 1 41 41 SER HB2 H 1 3.637 0.030 . 2 . . . . 41 SER HB2 . 11178 1 409 . 1 1 41 41 SER HB3 H 1 4.116 0.030 . 2 . . . . 41 SER HB3 . 11178 1 410 . 1 1 41 41 SER C C 13 174.284 0.300 . 1 . . . . 41 SER C . 11178 1 411 . 1 1 41 41 SER CA C 13 57.426 0.300 . 1 . . . . 41 SER CA . 11178 1 412 . 1 1 41 41 SER CB C 13 65.353 0.300 . 1 . . . . 41 SER CB . 11178 1 413 . 1 1 41 41 SER N N 15 118.456 0.300 . 1 . . . . 41 SER N . 11178 1 414 . 1 1 42 42 GLN H H 1 8.657 0.030 . 1 . . . . 42 GLN H . 11178 1 415 . 1 1 42 42 GLN HA H 1 4.246 0.030 . 1 . . . . 42 GLN HA . 11178 1 416 . 1 1 42 42 GLN HB2 H 1 2.046 0.030 . 2 . . . . 42 GLN HB2 . 11178 1 417 . 1 1 42 42 GLN HB3 H 1 2.242 0.030 . 2 . . . . 42 GLN HB3 . 11178 1 418 . 1 1 42 42 GLN HE21 H 1 6.857 0.030 . 2 . . . . 42 GLN HE21 . 11178 1 419 . 1 1 42 42 GLN HE22 H 1 7.649 0.030 . 2 . . . . 42 GLN HE22 . 11178 1 420 . 1 1 42 42 GLN HG2 H 1 2.416 0.030 . 2 . . . . 42 GLN HG2 . 11178 1 421 . 1 1 42 42 GLN HG3 H 1 2.453 0.030 . 2 . . . . 42 GLN HG3 . 11178 1 422 . 1 1 42 42 GLN C C 13 175.909 0.300 . 1 . . . . 42 GLN C . 11178 1 423 . 1 1 42 42 GLN CA C 13 57.324 0.300 . 1 . . . . 42 GLN CA . 11178 1 424 . 1 1 42 42 GLN CB C 13 28.900 0.300 . 1 . . . . 42 GLN CB . 11178 1 425 . 1 1 42 42 GLN CG C 13 34.209 0.300 . 1 . . . . 42 GLN CG . 11178 1 426 . 1 1 42 42 GLN N N 15 118.679 0.300 . 1 . . . . 42 GLN N . 11178 1 427 . 1 1 42 42 GLN NE2 N 15 112.863 0.300 . 1 . . . . 42 GLN NE2 . 11178 1 428 . 1 1 43 43 GLU H H 1 8.730 0.030 . 1 . . . . 43 GLU H . 11178 1 429 . 1 1 43 43 GLU HA H 1 4.884 0.030 . 1 . . . . 43 GLU HA . 11178 1 430 . 1 1 43 43 GLU HB2 H 1 1.798 0.030 . 2 . . . . 43 GLU HB2 . 11178 1 431 . 1 1 43 43 GLU HB3 H 1 1.967 0.030 . 2 . . . . 43 GLU HB3 . 11178 1 432 . 1 1 43 43 GLU HG2 H 1 2.095 0.030 . 2 . . . . 43 GLU HG2 . 11178 1 433 . 1 1 43 43 GLU HG3 H 1 2.137 0.030 . 2 . . . . 43 GLU HG3 . 11178 1 434 . 1 1 43 43 GLU C C 13 174.027 0.300 . 1 . . . . 43 GLU C . 11178 1 435 . 1 1 43 43 GLU CA C 13 52.604 0.300 . 1 . . . . 43 GLU CA . 11178 1 436 . 1 1 43 43 GLU CB C 13 30.563 0.300 . 1 . . . . 43 GLU CB . 11178 1 437 . 1 1 43 43 GLU CG C 13 35.424 0.300 . 1 . . . . 43 GLU CG . 11178 1 438 . 1 1 43 43 GLU N N 15 122.106 0.300 . 1 . . . . 43 GLU N . 11178 1 439 . 1 1 44 44 PRO HA H 1 4.376 0.030 . 1 . . . . 44 PRO HA . 11178 1 440 . 1 1 44 44 PRO HB2 H 1 1.956 0.030 . 2 . . . . 44 PRO HB2 . 11178 1 441 . 1 1 44 44 PRO HB3 H 1 2.349 0.030 . 2 . . . . 44 PRO HB3 . 11178 1 442 . 1 1 44 44 PRO HD2 H 1 3.811 0.030 . 2 . . . . 44 PRO HD2 . 11178 1 443 . 1 1 44 44 PRO HD3 H 1 4.071 0.030 . 2 . . . . 44 PRO HD3 . 11178 1 444 . 1 1 44 44 PRO HG2 H 1 2.038 0.030 . 2 . . . . 44 PRO HG2 . 11178 1 445 . 1 1 44 44 PRO HG3 H 1 2.179 0.030 . 2 . . . . 44 PRO HG3 . 11178 1 446 . 1 1 44 44 PRO CA C 13 63.829 0.300 . 1 . . . . 44 PRO CA . 11178 1 447 . 1 1 44 44 PRO CB C 13 31.927 0.300 . 1 . . . . 44 PRO CB . 11178 1 448 . 1 1 44 44 PRO CD C 13 51.212 0.300 . 1 . . . . 44 PRO CD . 11178 1 449 . 1 1 44 44 PRO CG C 13 27.736 0.300 . 1 . . . . 44 PRO CG . 11178 1 450 . 1 1 45 45 GLY H H 1 8.847 0.030 . 1 . . . . 45 GLY H . 11178 1 451 . 1 1 45 45 GLY HA2 H 1 3.595 0.030 . 2 . . . . 45 GLY HA2 . 11178 1 452 . 1 1 45 45 GLY HA3 H 1 4.169 0.030 . 2 . . . . 45 GLY HA3 . 11178 1 453 . 1 1 45 45 GLY C C 13 174.475 0.300 . 1 . . . . 45 GLY C . 11178 1 454 . 1 1 45 45 GLY CA C 13 45.006 0.300 . 1 . . . . 45 GLY CA . 11178 1 455 . 1 1 45 45 GLY N N 15 111.057 0.300 . 1 . . . . 45 GLY N . 11178 1 456 . 1 1 46 46 TRP H H 1 8.013 0.030 . 1 . . . . 46 TRP H . 11178 1 457 . 1 1 46 46 TRP HA H 1 5.069 0.030 . 1 . . . . 46 TRP HA . 11178 1 458 . 1 1 46 46 TRP HB2 H 1 3.100 0.030 . 1 . . . . 46 TRP HB2 . 11178 1 459 . 1 1 46 46 TRP HB3 H 1 3.100 0.030 . 1 . . . . 46 TRP HB3 . 11178 1 460 . 1 1 46 46 TRP HD1 H 1 7.016 0.030 . 1 . . . . 46 TRP HD1 . 11178 1 461 . 1 1 46 46 TRP HE1 H 1 10.085 0.030 . 1 . . . . 46 TRP HE1 . 11178 1 462 . 1 1 46 46 TRP HE3 H 1 7.248 0.030 . 1 . . . . 46 TRP HE3 . 11178 1 463 . 1 1 46 46 TRP HH2 H 1 7.160 0.030 . 1 . . . . 46 TRP HH2 . 11178 1 464 . 1 1 46 46 TRP HZ2 H 1 7.395 0.030 . 1 . . . . 46 TRP HZ2 . 11178 1 465 . 1 1 46 46 TRP HZ3 H 1 6.801 0.030 . 1 . . . . 46 TRP HZ3 . 11178 1 466 . 1 1 46 46 TRP C C 13 176.310 0.300 . 1 . . . . 46 TRP C . 11178 1 467 . 1 1 46 46 TRP CA C 13 56.545 0.300 . 1 . . . . 46 TRP CA . 11178 1 468 . 1 1 46 46 TRP CB C 13 32.102 0.300 . 1 . . . . 46 TRP CB . 11178 1 469 . 1 1 46 46 TRP CD1 C 13 127.797 0.300 . 1 . . . . 46 TRP CD1 . 11178 1 470 . 1 1 46 46 TRP CE3 C 13 119.939 0.300 . 1 . . . . 46 TRP CE3 . 11178 1 471 . 1 1 46 46 TRP CH2 C 13 125.075 0.300 . 1 . . . . 46 TRP CH2 . 11178 1 472 . 1 1 46 46 TRP CZ2 C 13 114.581 0.300 . 1 . . . . 46 TRP CZ2 . 11178 1 473 . 1 1 46 46 TRP CZ3 C 13 120.751 0.300 . 1 . . . . 46 TRP CZ3 . 11178 1 474 . 1 1 46 46 TRP N N 15 120.216 0.300 . 1 . . . . 46 TRP N . 11178 1 475 . 1 1 46 46 TRP NE1 N 15 129.139 0.300 . 1 . . . . 46 TRP NE1 . 11178 1 476 . 1 1 47 47 LEU H H 1 9.713 0.030 . 1 . . . . 47 LEU H . 11178 1 477 . 1 1 47 47 LEU HA H 1 4.733 0.030 . 1 . . . . 47 LEU HA . 11178 1 478 . 1 1 47 47 LEU HB2 H 1 1.227 0.030 . 2 . . . . 47 LEU HB2 . 11178 1 479 . 1 1 47 47 LEU HB3 H 1 1.365 0.030 . 2 . . . . 47 LEU HB3 . 11178 1 480 . 1 1 47 47 LEU HD11 H 1 0.842 0.030 . 1 . . . . 47 LEU HD1 . 11178 1 481 . 1 1 47 47 LEU HD12 H 1 0.842 0.030 . 1 . . . . 47 LEU HD1 . 11178 1 482 . 1 1 47 47 LEU HD13 H 1 0.842 0.030 . 1 . . . . 47 LEU HD1 . 11178 1 483 . 1 1 47 47 LEU HD21 H 1 0.630 0.030 . 1 . . . . 47 LEU HD2 . 11178 1 484 . 1 1 47 47 LEU HD22 H 1 0.630 0.030 . 1 . . . . 47 LEU HD2 . 11178 1 485 . 1 1 47 47 LEU HD23 H 1 0.630 0.030 . 1 . . . . 47 LEU HD2 . 11178 1 486 . 1 1 47 47 LEU HG H 1 1.416 0.030 . 1 . . . . 47 LEU HG . 11178 1 487 . 1 1 47 47 LEU C C 13 174.905 0.300 . 1 . . . . 47 LEU C . 11178 1 488 . 1 1 47 47 LEU CA C 13 53.000 0.300 . 1 . . . . 47 LEU CA . 11178 1 489 . 1 1 47 47 LEU CB C 13 44.223 0.300 . 1 . . . . 47 LEU CB . 11178 1 490 . 1 1 47 47 LEU CD1 C 13 22.434 0.300 . 2 . . . . 47 LEU CD1 . 11178 1 491 . 1 1 47 47 LEU CD2 C 13 27.287 0.300 . 2 . . . . 47 LEU CD2 . 11178 1 492 . 1 1 47 47 LEU CG C 13 27.036 0.300 . 1 . . . . 47 LEU CG . 11178 1 493 . 1 1 47 47 LEU N N 15 125.369 0.300 . 1 . . . . 47 LEU N . 11178 1 494 . 1 1 48 48 GLU H H 1 8.951 0.030 . 1 . . . . 48 GLU H . 11178 1 495 . 1 1 48 48 GLU HA H 1 4.992 0.030 . 1 . . . . 48 GLU HA . 11178 1 496 . 1 1 48 48 GLU HB2 H 1 1.327 0.030 . 2 . . . . 48 GLU HB2 . 11178 1 497 . 1 1 48 48 GLU HB3 H 1 1.388 0.030 . 2 . . . . 48 GLU HB3 . 11178 1 498 . 1 1 48 48 GLU HG2 H 1 1.947 0.030 . 2 . . . . 48 GLU HG2 . 11178 1 499 . 1 1 48 48 GLU HG3 H 1 2.009 0.030 . 2 . . . . 48 GLU HG3 . 11178 1 500 . 1 1 48 48 GLU C C 13 174.274 0.300 . 1 . . . . 48 GLU C . 11178 1 501 . 1 1 48 48 GLU CA C 13 54.944 0.300 . 1 . . . . 48 GLU CA . 11178 1 502 . 1 1 48 48 GLU CB C 13 32.746 0.300 . 1 . . . . 48 GLU CB . 11178 1 503 . 1 1 48 48 GLU CG C 13 37.956 0.300 . 1 . . . . 48 GLU CG . 11178 1 504 . 1 1 48 48 GLU N N 15 121.251 0.300 . 1 . . . . 48 GLU N . 11178 1 505 . 1 1 49 49 GLY H H 1 8.507 0.030 . 1 . . . . 49 GLY H . 11178 1 506 . 1 1 49 49 GLY HA2 H 1 3.294 0.030 . 2 . . . . 49 GLY HA2 . 11178 1 507 . 1 1 49 49 GLY HA3 H 1 4.638 0.030 . 2 . . . . 49 GLY HA3 . 11178 1 508 . 1 1 49 49 GLY C C 13 170.876 0.300 . 1 . . . . 49 GLY C . 11178 1 509 . 1 1 49 49 GLY CA C 13 45.308 0.300 . 1 . . . . 49 GLY CA . 11178 1 510 . 1 1 49 49 GLY N N 15 108.325 0.300 . 1 . . . . 49 GLY N . 11178 1 511 . 1 1 50 50 THR H H 1 8.811 0.030 . 1 . . . . 50 THR H . 11178 1 512 . 1 1 50 50 THR HA H 1 5.421 0.030 . 1 . . . . 50 THR HA . 11178 1 513 . 1 1 50 50 THR HB H 1 3.766 0.030 . 1 . . . . 50 THR HB . 11178 1 514 . 1 1 50 50 THR HG21 H 1 1.095 0.030 . 1 . . . . 50 THR HG2 . 11178 1 515 . 1 1 50 50 THR HG22 H 1 1.095 0.030 . 1 . . . . 50 THR HG2 . 11178 1 516 . 1 1 50 50 THR HG23 H 1 1.095 0.030 . 1 . . . . 50 THR HG2 . 11178 1 517 . 1 1 50 50 THR C C 13 173.184 0.300 . 1 . . . . 50 THR C . 11178 1 518 . 1 1 50 50 THR CA C 13 61.968 0.300 . 1 . . . . 50 THR CA . 11178 1 519 . 1 1 50 50 THR CB C 13 71.275 0.300 . 1 . . . . 50 THR CB . 11178 1 520 . 1 1 50 50 THR CG2 C 13 21.270 0.300 . 1 . . . . 50 THR CG2 . 11178 1 521 . 1 1 50 50 THR N N 15 113.532 0.300 . 1 . . . . 50 THR N . 11178 1 522 . 1 1 51 51 LEU H H 1 9.371 0.030 . 1 . . . . 51 LEU H . 11178 1 523 . 1 1 51 51 LEU HA H 1 4.854 0.030 . 1 . . . . 51 LEU HA . 11178 1 524 . 1 1 51 51 LEU HB2 H 1 1.471 0.030 . 2 . . . . 51 LEU HB2 . 11178 1 525 . 1 1 51 51 LEU HB3 H 1 2.037 0.030 . 2 . . . . 51 LEU HB3 . 11178 1 526 . 1 1 51 51 LEU HD11 H 1 0.849 0.030 . 1 . . . . 51 LEU HD1 . 11178 1 527 . 1 1 51 51 LEU HD12 H 1 0.849 0.030 . 1 . . . . 51 LEU HD1 . 11178 1 528 . 1 1 51 51 LEU HD13 H 1 0.849 0.030 . 1 . . . . 51 LEU HD1 . 11178 1 529 . 1 1 51 51 LEU HD21 H 1 1.109 0.030 . 1 . . . . 51 LEU HD2 . 11178 1 530 . 1 1 51 51 LEU HD22 H 1 1.109 0.030 . 1 . . . . 51 LEU HD2 . 11178 1 531 . 1 1 51 51 LEU HD23 H 1 1.109 0.030 . 1 . . . . 51 LEU HD2 . 11178 1 532 . 1 1 51 51 LEU HG H 1 1.538 0.030 . 1 . . . . 51 LEU HG . 11178 1 533 . 1 1 51 51 LEU C C 13 176.114 0.300 . 1 . . . . 51 LEU C . 11178 1 534 . 1 1 51 51 LEU CA C 13 53.651 0.300 . 1 . . . . 51 LEU CA . 11178 1 535 . 1 1 51 51 LEU CB C 13 46.455 0.300 . 1 . . . . 51 LEU CB . 11178 1 536 . 1 1 51 51 LEU CD1 C 13 23.579 0.300 . 2 . . . . 51 LEU CD1 . 11178 1 537 . 1 1 51 51 LEU CD2 C 13 26.706 0.300 . 2 . . . . 51 LEU CD2 . 11178 1 538 . 1 1 51 51 LEU CG C 13 27.778 0.300 . 1 . . . . 51 LEU CG . 11178 1 539 . 1 1 51 51 LEU N N 15 128.055 0.300 . 1 . . . . 51 LEU N . 11178 1 540 . 1 1 52 52 ASN H H 1 9.848 0.030 . 1 . . . . 52 ASN H . 11178 1 541 . 1 1 52 52 ASN HA H 1 4.419 0.030 . 1 . . . . 52 ASN HA . 11178 1 542 . 1 1 52 52 ASN HB2 H 1 2.804 0.030 . 2 . . . . 52 ASN HB2 . 11178 1 543 . 1 1 52 52 ASN HB3 H 1 3.085 0.030 . 2 . . . . 52 ASN HB3 . 11178 1 544 . 1 1 52 52 ASN HD21 H 1 6.983 0.030 . 2 . . . . 52 ASN HD21 . 11178 1 545 . 1 1 52 52 ASN HD22 H 1 7.735 0.030 . 2 . . . . 52 ASN HD22 . 11178 1 546 . 1 1 52 52 ASN C C 13 175.464 0.300 . 1 . . . . 52 ASN C . 11178 1 547 . 1 1 52 52 ASN CA C 13 54.267 0.300 . 1 . . . . 52 ASN CA . 11178 1 548 . 1 1 52 52 ASN CB C 13 37.520 0.300 . 1 . . . . 52 ASN CB . 11178 1 549 . 1 1 52 52 ASN N N 15 128.651 0.300 . 1 . . . . 52 ASN N . 11178 1 550 . 1 1 52 52 ASN ND2 N 15 113.035 0.300 . 1 . . . . 52 ASN ND2 . 11178 1 551 . 1 1 53 53 GLY H H 1 8.496 0.030 . 1 . . . . 53 GLY H . 11178 1 552 . 1 1 53 53 GLY HA2 H 1 3.575 0.030 . 2 . . . . 53 GLY HA2 . 11178 1 553 . 1 1 53 53 GLY HA3 H 1 4.210 0.030 . 2 . . . . 53 GLY HA3 . 11178 1 554 . 1 1 53 53 GLY C C 13 173.270 0.300 . 1 . . . . 53 GLY C . 11178 1 555 . 1 1 53 53 GLY CA C 13 45.439 0.300 . 1 . . . . 53 GLY CA . 11178 1 556 . 1 1 53 53 GLY N N 15 103.118 0.300 . 1 . . . . 53 GLY N . 11178 1 557 . 1 1 54 54 LYS H H 1 7.947 0.030 . 1 . . . . 54 LYS H . 11178 1 558 . 1 1 54 54 LYS HA H 1 4.718 0.030 . 1 . . . . 54 LYS HA . 11178 1 559 . 1 1 54 54 LYS HB2 H 1 1.818 0.030 . 2 . . . . 54 LYS HB2 . 11178 1 560 . 1 1 54 54 LYS HB3 H 1 2.001 0.030 . 2 . . . . 54 LYS HB3 . 11178 1 561 . 1 1 54 54 LYS HD2 H 1 1.741 0.030 . 2 . . . . 54 LYS HD2 . 11178 1 562 . 1 1 54 54 LYS HD3 H 1 1.789 0.030 . 2 . . . . 54 LYS HD3 . 11178 1 563 . 1 1 54 54 LYS HE2 H 1 3.055 0.030 . 1 . . . . 54 LYS HE2 . 11178 1 564 . 1 1 54 54 LYS HE3 H 1 3.055 0.030 . 1 . . . . 54 LYS HE3 . 11178 1 565 . 1 1 54 54 LYS HG2 H 1 1.316 0.030 . 2 . . . . 54 LYS HG2 . 11178 1 566 . 1 1 54 54 LYS HG3 H 1 1.491 0.030 . 2 . . . . 54 LYS HG3 . 11178 1 567 . 1 1 54 54 LYS C C 13 174.604 0.300 . 1 . . . . 54 LYS C . 11178 1 568 . 1 1 54 54 LYS CA C 13 54.944 0.300 . 1 . . . . 54 LYS CA . 11178 1 569 . 1 1 54 54 LYS CB C 13 34.643 0.300 . 1 . . . . 54 LYS CB . 11178 1 570 . 1 1 54 54 LYS CD C 13 29.207 0.300 . 1 . . . . 54 LYS CD . 11178 1 571 . 1 1 54 54 LYS CE C 13 42.463 0.300 . 1 . . . . 54 LYS CE . 11178 1 572 . 1 1 54 54 LYS CG C 13 25.253 0.300 . 1 . . . . 54 LYS CG . 11178 1 573 . 1 1 54 54 LYS N N 15 123.176 0.300 . 1 . . . . 54 LYS N . 11178 1 574 . 1 1 55 55 THR H H 1 8.768 0.030 . 1 . . . . 55 THR H . 11178 1 575 . 1 1 55 55 THR HA H 1 5.430 0.030 . 1 . . . . 55 THR HA . 11178 1 576 . 1 1 55 55 THR HB H 1 3.905 0.030 . 1 . . . . 55 THR HB . 11178 1 577 . 1 1 55 55 THR HG21 H 1 1.190 0.030 . 1 . . . . 55 THR HG2 . 11178 1 578 . 1 1 55 55 THR HG22 H 1 1.190 0.030 . 1 . . . . 55 THR HG2 . 11178 1 579 . 1 1 55 55 THR HG23 H 1 1.190 0.030 . 1 . . . . 55 THR HG2 . 11178 1 580 . 1 1 55 55 THR C C 13 174.819 0.300 . 1 . . . . 55 THR C . 11178 1 581 . 1 1 55 55 THR CA C 13 61.340 0.300 . 1 . . . . 55 THR CA . 11178 1 582 . 1 1 55 55 THR CB C 13 70.438 0.300 . 1 . . . . 55 THR CB . 11178 1 583 . 1 1 55 55 THR CG2 C 13 21.788 0.300 . 1 . . . . 55 THR CG2 . 11178 1 584 . 1 1 55 55 THR N N 15 122.868 0.300 . 1 . . . . 55 THR N . 11178 1 585 . 1 1 56 56 GLY H H 1 8.941 0.030 . 1 . . . . 56 GLY H . 11178 1 586 . 1 1 56 56 GLY HA2 H 1 3.770 0.030 . 2 . . . . 56 GLY HA2 . 11178 1 587 . 1 1 56 56 GLY HA3 H 1 4.463 0.030 . 2 . . . . 56 GLY HA3 . 11178 1 588 . 1 1 56 56 GLY C C 13 170.883 0.300 . 1 . . . . 56 GLY C . 11178 1 589 . 1 1 56 56 GLY CA C 13 45.586 0.300 . 1 . . . . 56 GLY CA . 11178 1 590 . 1 1 56 56 GLY N N 15 112.917 0.300 . 1 . . . . 56 GLY N . 11178 1 591 . 1 1 57 57 LEU H H 1 8.605 0.030 . 1 . . . . 57 LEU H . 11178 1 592 . 1 1 57 57 LEU HA H 1 5.399 0.030 . 1 . . . . 57 LEU HA . 11178 1 593 . 1 1 57 57 LEU HB2 H 1 1.396 0.030 . 2 . . . . 57 LEU HB2 . 11178 1 594 . 1 1 57 57 LEU HB3 H 1 1.570 0.030 . 2 . . . . 57 LEU HB3 . 11178 1 595 . 1 1 57 57 LEU HD11 H 1 0.726 0.030 . 1 . . . . 57 LEU HD1 . 11178 1 596 . 1 1 57 57 LEU HD12 H 1 0.726 0.030 . 1 . . . . 57 LEU HD1 . 11178 1 597 . 1 1 57 57 LEU HD13 H 1 0.726 0.030 . 1 . . . . 57 LEU HD1 . 11178 1 598 . 1 1 57 57 LEU HD21 H 1 0.344 0.030 . 1 . . . . 57 LEU HD2 . 11178 1 599 . 1 1 57 57 LEU HD22 H 1 0.344 0.030 . 1 . . . . 57 LEU HD2 . 11178 1 600 . 1 1 57 57 LEU HD23 H 1 0.344 0.030 . 1 . . . . 57 LEU HD2 . 11178 1 601 . 1 1 57 57 LEU HG H 1 1.630 0.030 . 1 . . . . 57 LEU HG . 11178 1 602 . 1 1 57 57 LEU C C 13 178.619 0.300 . 1 . . . . 57 LEU C . 11178 1 603 . 1 1 57 57 LEU CA C 13 54.723 0.300 . 1 . . . . 57 LEU CA . 11178 1 604 . 1 1 57 57 LEU CB C 13 44.205 0.300 . 1 . . . . 57 LEU CB . 11178 1 605 . 1 1 57 57 LEU CD1 C 13 22.772 0.300 . 2 . . . . 57 LEU CD1 . 11178 1 606 . 1 1 57 57 LEU CD2 C 13 24.830 0.300 . 2 . . . . 57 LEU CD2 . 11178 1 607 . 1 1 57 57 LEU CG C 13 27.060 0.300 . 1 . . . . 57 LEU CG . 11178 1 608 . 1 1 57 57 LEU N N 15 117.118 0.300 . 1 . . . . 57 LEU N . 11178 1 609 . 1 1 58 58 ILE H H 1 9.379 0.030 . 1 . . . . 58 ILE H . 11178 1 610 . 1 1 58 58 ILE HA H 1 4.814 0.030 . 1 . . . . 58 ILE HA . 11178 1 611 . 1 1 58 58 ILE HB H 1 1.109 0.030 . 1 . . . . 58 ILE HB . 11178 1 612 . 1 1 58 58 ILE HD11 H 1 -0.486 0.030 . 1 . . . . 58 ILE HD1 . 11178 1 613 . 1 1 58 58 ILE HD12 H 1 -0.486 0.030 . 1 . . . . 58 ILE HD1 . 11178 1 614 . 1 1 58 58 ILE HD13 H 1 -0.486 0.030 . 1 . . . . 58 ILE HD1 . 11178 1 615 . 1 1 58 58 ILE HG12 H 1 0.152 0.030 . 2 . . . . 58 ILE HG12 . 11178 1 616 . 1 1 58 58 ILE HG13 H 1 1.238 0.030 . 2 . . . . 58 ILE HG13 . 11178 1 617 . 1 1 58 58 ILE HG21 H 1 0.425 0.030 . 1 . . . . 58 ILE HG2 . 11178 1 618 . 1 1 58 58 ILE HG22 H 1 0.425 0.030 . 1 . . . . 58 ILE HG2 . 11178 1 619 . 1 1 58 58 ILE HG23 H 1 0.425 0.030 . 1 . . . . 58 ILE HG2 . 11178 1 620 . 1 1 58 58 ILE C C 13 172.984 0.300 . 1 . . . . 58 ILE C . 11178 1 621 . 1 1 58 58 ILE CA C 13 58.720 0.300 . 1 . . . . 58 ILE CA . 11178 1 622 . 1 1 58 58 ILE CB C 13 44.684 0.300 . 1 . . . . 58 ILE CB . 11178 1 623 . 1 1 58 58 ILE CD1 C 13 13.453 0.300 . 1 . . . . 58 ILE CD1 . 11178 1 624 . 1 1 58 58 ILE CG1 C 13 27.217 0.300 . 1 . . . . 58 ILE CG1 . 11178 1 625 . 1 1 58 58 ILE CG2 C 13 17.146 0.300 . 1 . . . . 58 ILE CG2 . 11178 1 626 . 1 1 58 58 ILE N N 15 122.556 0.300 . 1 . . . . 58 ILE N . 11178 1 627 . 1 1 59 59 PRO HA H 1 3.623 0.030 . 1 . . . . 59 PRO HA . 11178 1 628 . 1 1 59 59 PRO HB2 H 1 1.440 0.030 . 2 . . . . 59 PRO HB2 . 11178 1 629 . 1 1 59 59 PRO HB3 H 1 1.533 0.030 . 2 . . . . 59 PRO HB3 . 11178 1 630 . 1 1 59 59 PRO HD2 H 1 3.305 0.030 . 2 . . . . 59 PRO HD2 . 11178 1 631 . 1 1 59 59 PRO HD3 H 1 4.594 0.030 . 2 . . . . 59 PRO HD3 . 11178 1 632 . 1 1 59 59 PRO HG2 H 1 1.086 0.030 . 2 . . . . 59 PRO HG2 . 11178 1 633 . 1 1 59 59 PRO HG3 H 1 1.456 0.030 . 2 . . . . 59 PRO HG3 . 11178 1 634 . 1 1 59 59 PRO CA C 13 63.085 0.300 . 1 . . . . 59 PRO CA . 11178 1 635 . 1 1 59 59 PRO CB C 13 31.065 0.300 . 1 . . . . 59 PRO CB . 11178 1 636 . 1 1 59 59 PRO CD C 13 51.234 0.300 . 1 . . . . 59 PRO CD . 11178 1 637 . 1 1 59 59 PRO CG C 13 27.391 0.300 . 1 . . . . 59 PRO CG . 11178 1 638 . 1 1 60 60 GLU H H 1 7.952 0.030 . 1 . . . . 60 GLU H . 11178 1 639 . 1 1 60 60 GLU HA H 1 3.690 0.030 . 1 . . . . 60 GLU HA . 11178 1 640 . 1 1 60 60 GLU HB2 H 1 1.722 0.030 . 1 . . . . 60 GLU HB2 . 11178 1 641 . 1 1 60 60 GLU HB3 H 1 1.722 0.030 . 1 . . . . 60 GLU HB3 . 11178 1 642 . 1 1 60 60 GLU HG2 H 1 2.039 0.030 . 2 . . . . 60 GLU HG2 . 11178 1 643 . 1 1 60 60 GLU HG3 H 1 2.155 0.030 . 2 . . . . 60 GLU HG3 . 11178 1 644 . 1 1 60 60 GLU C C 13 176.439 0.300 . 1 . . . . 60 GLU C . 11178 1 645 . 1 1 60 60 GLU CA C 13 59.272 0.300 . 1 . . . . 60 GLU CA . 11178 1 646 . 1 1 60 60 GLU CB C 13 29.920 0.300 . 1 . . . . 60 GLU CB . 11178 1 647 . 1 1 60 60 GLU CG C 13 35.404 0.300 . 1 . . . . 60 GLU CG . 11178 1 648 . 1 1 60 60 GLU N N 15 123.982 0.300 . 1 . . . . 60 GLU N . 11178 1 649 . 1 1 61 61 ASN H H 1 8.453 0.030 . 1 . . . . 61 ASN H . 11178 1 650 . 1 1 61 61 ASN HA H 1 4.827 0.030 . 1 . . . . 61 ASN HA . 11178 1 651 . 1 1 61 61 ASN HB2 H 1 2.870 0.030 . 2 . . . . 61 ASN HB2 . 11178 1 652 . 1 1 61 61 ASN HB3 H 1 3.033 0.030 . 2 . . . . 61 ASN HB3 . 11178 1 653 . 1 1 61 61 ASN HD21 H 1 6.840 0.030 . 2 . . . . 61 ASN HD21 . 11178 1 654 . 1 1 61 61 ASN HD22 H 1 7.599 0.030 . 2 . . . . 61 ASN HD22 . 11178 1 655 . 1 1 61 61 ASN C C 13 175.499 0.300 . 1 . . . . 61 ASN C . 11178 1 656 . 1 1 61 61 ASN CA C 13 53.488 0.300 . 1 . . . . 61 ASN CA . 11178 1 657 . 1 1 61 61 ASN CB C 13 36.844 0.300 . 1 . . . . 61 ASN CB . 11178 1 658 . 1 1 61 61 ASN N N 15 111.682 0.300 . 1 . . . . 61 ASN N . 11178 1 659 . 1 1 61 61 ASN ND2 N 15 112.142 0.300 . 1 . . . . 61 ASN ND2 . 11178 1 660 . 1 1 62 62 TYR H H 1 8.041 0.030 . 1 . . . . 62 TYR H . 11178 1 661 . 1 1 62 62 TYR HA H 1 4.854 0.030 . 1 . . . . 62 TYR HA . 11178 1 662 . 1 1 62 62 TYR HB2 H 1 3.471 0.030 . 2 . . . . 62 TYR HB2 . 11178 1 663 . 1 1 62 62 TYR HB3 H 1 3.542 0.030 . 2 . . . . 62 TYR HB3 . 11178 1 664 . 1 1 62 62 TYR HD1 H 1 7.139 0.030 . 1 . . . . 62 TYR HD1 . 11178 1 665 . 1 1 62 62 TYR HD2 H 1 7.139 0.030 . 1 . . . . 62 TYR HD2 . 11178 1 666 . 1 1 62 62 TYR HE1 H 1 6.860 0.030 . 1 . . . . 62 TYR HE1 . 11178 1 667 . 1 1 62 62 TYR HE2 H 1 6.860 0.030 . 1 . . . . 62 TYR HE2 . 11178 1 668 . 1 1 62 62 TYR C C 13 175.673 0.300 . 1 . . . . 62 TYR C . 11178 1 669 . 1 1 62 62 TYR CA C 13 58.443 0.300 . 1 . . . . 62 TYR CA . 11178 1 670 . 1 1 62 62 TYR CB C 13 38.882 0.300 . 1 . . . . 62 TYR CB . 11178 1 671 . 1 1 62 62 TYR CD1 C 13 131.160 0.300 . 1 . . . . 62 TYR CD1 . 11178 1 672 . 1 1 62 62 TYR CD2 C 13 131.160 0.300 . 1 . . . . 62 TYR CD2 . 11178 1 673 . 1 1 62 62 TYR CE1 C 13 118.508 0.300 . 1 . . . . 62 TYR CE1 . 11178 1 674 . 1 1 62 62 TYR CE2 C 13 118.508 0.300 . 1 . . . . 62 TYR CE2 . 11178 1 675 . 1 1 62 62 TYR N N 15 118.338 0.300 . 1 . . . . 62 TYR N . 11178 1 676 . 1 1 63 63 VAL H H 1 7.097 0.030 . 1 . . . . 63 VAL H . 11178 1 677 . 1 1 63 63 VAL HA H 1 5.383 0.030 . 1 . . . . 63 VAL HA . 11178 1 678 . 1 1 63 63 VAL HB H 1 1.579 0.030 . 1 . . . . 63 VAL HB . 11178 1 679 . 1 1 63 63 VAL HG11 H 1 0.178 0.030 . 1 . . . . 63 VAL HG1 . 11178 1 680 . 1 1 63 63 VAL HG12 H 1 0.178 0.030 . 1 . . . . 63 VAL HG1 . 11178 1 681 . 1 1 63 63 VAL HG13 H 1 0.178 0.030 . 1 . . . . 63 VAL HG1 . 11178 1 682 . 1 1 63 63 VAL HG21 H 1 0.398 0.030 . 1 . . . . 63 VAL HG2 . 11178 1 683 . 1 1 63 63 VAL HG22 H 1 0.398 0.030 . 1 . . . . 63 VAL HG2 . 11178 1 684 . 1 1 63 63 VAL HG23 H 1 0.398 0.030 . 1 . . . . 63 VAL HG2 . 11178 1 685 . 1 1 63 63 VAL C C 13 173.741 0.300 . 1 . . . . 63 VAL C . 11178 1 686 . 1 1 63 63 VAL CA C 13 58.202 0.300 . 1 . . . . 63 VAL CA . 11178 1 687 . 1 1 63 63 VAL CB C 13 35.550 0.300 . 1 . . . . 63 VAL CB . 11178 1 688 . 1 1 63 63 VAL CG1 C 13 18.016 0.300 . 2 . . . . 63 VAL CG1 . 11178 1 689 . 1 1 63 63 VAL CG2 C 13 21.778 0.300 . 2 . . . . 63 VAL CG2 . 11178 1 690 . 1 1 63 63 VAL N N 15 108.533 0.300 . 1 . . . . 63 VAL N . 11178 1 691 . 1 1 64 64 GLU H H 1 8.496 0.030 . 1 . . . . 64 GLU H . 11178 1 692 . 1 1 64 64 GLU HA H 1 4.669 0.030 . 1 . . . . 64 GLU HA . 11178 1 693 . 1 1 64 64 GLU HB2 H 1 1.836 0.030 . 2 . . . . 64 GLU HB2 . 11178 1 694 . 1 1 64 64 GLU HB3 H 1 1.928 0.030 . 2 . . . . 64 GLU HB3 . 11178 1 695 . 1 1 64 64 GLU HG2 H 1 2.153 0.030 . 2 . . . . 64 GLU HG2 . 11178 1 696 . 1 1 64 64 GLU HG3 H 1 2.196 0.030 . 2 . . . . 64 GLU HG3 . 11178 1 697 . 1 1 64 64 GLU C C 13 176.009 0.300 . 1 . . . . 64 GLU C . 11178 1 698 . 1 1 64 64 GLU CA C 13 53.959 0.300 . 1 . . . . 64 GLU CA . 11178 1 699 . 1 1 64 64 GLU CB C 13 33.481 0.300 . 1 . . . . 64 GLU CB . 11178 1 700 . 1 1 64 64 GLU CG C 13 35.842 0.300 . 1 . . . . 64 GLU CG . 11178 1 701 . 1 1 64 64 GLU N N 15 119.055 0.300 . 1 . . . . 64 GLU N . 11178 1 702 . 1 1 65 65 PHE H H 1 9.089 0.030 . 1 . . . . 65 PHE H . 11178 1 703 . 1 1 65 65 PHE HA H 1 4.568 0.030 . 1 . . . . 65 PHE HA . 11178 1 704 . 1 1 65 65 PHE HB2 H 1 2.928 0.030 . 2 . . . . 65 PHE HB2 . 11178 1 705 . 1 1 65 65 PHE HB3 H 1 3.134 0.030 . 2 . . . . 65 PHE HB3 . 11178 1 706 . 1 1 65 65 PHE HD1 H 1 7.316 0.030 . 1 . . . . 65 PHE HD1 . 11178 1 707 . 1 1 65 65 PHE HD2 H 1 7.316 0.030 . 1 . . . . 65 PHE HD2 . 11178 1 708 . 1 1 65 65 PHE HE1 H 1 7.174 0.030 . 1 . . . . 65 PHE HE1 . 11178 1 709 . 1 1 65 65 PHE HE2 H 1 7.174 0.030 . 1 . . . . 65 PHE HE2 . 11178 1 710 . 1 1 65 65 PHE HZ H 1 7.001 0.030 . 1 . . . . 65 PHE HZ . 11178 1 711 . 1 1 65 65 PHE C C 13 176.471 0.300 . 1 . . . . 65 PHE C . 11178 1 712 . 1 1 65 65 PHE CA C 13 60.054 0.300 . 1 . . . . 65 PHE CA . 11178 1 713 . 1 1 65 65 PHE CB C 13 39.751 0.300 . 1 . . . . 65 PHE CB . 11178 1 714 . 1 1 65 65 PHE CD1 C 13 131.320 0.300 . 1 . . . . 65 PHE CD1 . 11178 1 715 . 1 1 65 65 PHE CD2 C 13 131.320 0.300 . 1 . . . . 65 PHE CD2 . 11178 1 716 . 1 1 65 65 PHE CE1 C 13 131.160 0.300 . 1 . . . . 65 PHE CE1 . 11178 1 717 . 1 1 65 65 PHE CE2 C 13 131.160 0.300 . 1 . . . . 65 PHE CE2 . 11178 1 718 . 1 1 65 65 PHE CZ C 13 129.491 0.300 . 1 . . . . 65 PHE CZ . 11178 1 719 . 1 1 65 65 PHE N N 15 124.307 0.300 . 1 . . . . 65 PHE N . 11178 1 720 . 1 1 66 66 LEU H H 1 8.438 0.030 . 1 . . . . 66 LEU H . 11178 1 721 . 1 1 66 66 LEU HA H 1 4.565 0.030 . 1 . . . . 66 LEU HA . 11178 1 722 . 1 1 66 66 LEU HB2 H 1 1.597 0.030 . 2 . . . . 66 LEU HB2 . 11178 1 723 . 1 1 66 66 LEU HB3 H 1 1.678 0.030 . 2 . . . . 66 LEU HB3 . 11178 1 724 . 1 1 66 66 LEU HD11 H 1 0.862 0.030 . 1 . . . . 66 LEU HD1 . 11178 1 725 . 1 1 66 66 LEU HD12 H 1 0.862 0.030 . 1 . . . . 66 LEU HD1 . 11178 1 726 . 1 1 66 66 LEU HD13 H 1 0.862 0.030 . 1 . . . . 66 LEU HD1 . 11178 1 727 . 1 1 66 66 LEU HD21 H 1 0.875 0.030 . 1 . . . . 66 LEU HD2 . 11178 1 728 . 1 1 66 66 LEU HD22 H 1 0.875 0.030 . 1 . . . . 66 LEU HD2 . 11178 1 729 . 1 1 66 66 LEU HD23 H 1 0.875 0.030 . 1 . . . . 66 LEU HD2 . 11178 1 730 . 1 1 66 66 LEU HG H 1 1.544 0.030 . 1 . . . . 66 LEU HG . 11178 1 731 . 1 1 66 66 LEU C C 13 177.286 0.300 . 1 . . . . 66 LEU C . 11178 1 732 . 1 1 66 66 LEU CA C 13 54.502 0.300 . 1 . . . . 66 LEU CA . 11178 1 733 . 1 1 66 66 LEU CB C 13 42.507 0.300 . 1 . . . . 66 LEU CB . 11178 1 734 . 1 1 66 66 LEU CD1 C 13 23.122 0.300 . 2 . . . . 66 LEU CD1 . 11178 1 735 . 1 1 66 66 LEU CD2 C 13 25.926 0.300 . 2 . . . . 66 LEU CD2 . 11178 1 736 . 1 1 66 66 LEU CG C 13 27.700 0.300 . 1 . . . . 66 LEU CG . 11178 1 737 . 1 1 66 66 LEU N N 15 122.633 0.300 . 1 . . . . 66 LEU N . 11178 1 738 . 1 1 67 67 SER H H 1 8.545 0.030 . 1 . . . . 67 SER H . 11178 1 739 . 1 1 67 67 SER HA H 1 4.581 0.030 . 1 . . . . 67 SER HA . 11178 1 740 . 1 1 67 67 SER HB2 H 1 3.913 0.030 . 1 . . . . 67 SER HB2 . 11178 1 741 . 1 1 67 67 SER HB3 H 1 3.913 0.030 . 1 . . . . 67 SER HB3 . 11178 1 742 . 1 1 67 67 SER C C 13 174.427 0.300 . 1 . . . . 67 SER C . 11178 1 743 . 1 1 67 67 SER CA C 13 58.185 0.300 . 1 . . . . 67 SER CA . 11178 1 744 . 1 1 67 67 SER CB C 13 64.426 0.300 . 1 . . . . 67 SER CB . 11178 1 745 . 1 1 67 67 SER N N 15 116.853 0.300 . 1 . . . . 67 SER N . 11178 1 746 . 1 1 68 68 GLY H H 1 8.369 0.030 . 1 . . . . 68 GLY H . 11178 1 747 . 1 1 68 68 GLY HA2 H 1 4.109 0.030 . 2 . . . . 68 GLY HA2 . 11178 1 748 . 1 1 68 68 GLY HA3 H 1 4.154 0.030 . 2 . . . . 68 GLY HA3 . 11178 1 749 . 1 1 68 68 GLY C C 13 171.783 0.300 . 1 . . . . 68 GLY C . 11178 1 750 . 1 1 68 68 GLY CA C 13 44.738 0.300 . 1 . . . . 68 GLY CA . 11178 1 751 . 1 1 68 68 GLY N N 15 110.412 0.300 . 1 . . . . 68 GLY N . 11178 1 752 . 1 1 69 69 PRO HA H 1 4.482 0.030 . 1 . . . . 69 PRO HA . 11178 1 753 . 1 1 69 69 PRO HB2 H 1 1.994 0.030 . 2 . . . . 69 PRO HB2 . 11178 1 754 . 1 1 69 69 PRO HB3 H 1 2.299 0.030 . 2 . . . . 69 PRO HB3 . 11178 1 755 . 1 1 69 69 PRO HD2 H 1 3.596 0.030 . 2 . . . . 69 PRO HD2 . 11178 1 756 . 1 1 69 69 PRO HD3 H 1 3.640 0.030 . 2 . . . . 69 PRO HD3 . 11178 1 757 . 1 1 69 69 PRO HG2 H 1 2.024 0.030 . 1 . . . . 69 PRO HG2 . 11178 1 758 . 1 1 69 69 PRO HG3 H 1 2.024 0.030 . 1 . . . . 69 PRO HG3 . 11178 1 759 . 1 1 69 69 PRO CA C 13 63.257 0.300 . 1 . . . . 69 PRO CA . 11178 1 760 . 1 1 69 69 PRO CB C 13 32.225 0.300 . 1 . . . . 69 PRO CB . 11178 1 761 . 1 1 69 69 PRO CD C 13 49.785 0.300 . 1 . . . . 69 PRO CD . 11178 1 762 . 1 1 69 69 PRO CG C 13 27.207 0.300 . 1 . . . . 69 PRO CG . 11178 1 763 . 1 1 71 71 SER HA H 1 4.498 0.030 . 1 . . . . 71 SER HA . 11178 1 764 . 1 1 71 71 SER HB2 H 1 3.867 0.030 . 1 . . . . 71 SER HB2 . 11178 1 765 . 1 1 71 71 SER HB3 H 1 3.867 0.030 . 1 . . . . 71 SER HB3 . 11178 1 766 . 1 1 71 71 SER C C 13 173.830 0.300 . 1 . . . . 71 SER C . 11178 1 767 . 1 1 71 71 SER CA C 13 58.306 0.300 . 1 . . . . 71 SER CA . 11178 1 768 . 1 1 71 71 SER CB C 13 64.118 0.300 . 1 . . . . 71 SER CB . 11178 1 769 . 1 1 72 72 GLY H H 1 8.036 0.030 . 1 . . . . 72 GLY H . 11178 1 770 . 1 1 72 72 GLY HA2 H 1 3.758 0.030 . 2 . . . . 72 GLY HA2 . 11178 1 771 . 1 1 72 72 GLY HA3 H 1 3.794 0.030 . 2 . . . . 72 GLY HA3 . 11178 1 772 . 1 1 72 72 GLY C C 13 178.949 0.300 . 1 . . . . 72 GLY C . 11178 1 773 . 1 1 72 72 GLY CA C 13 46.263 0.300 . 1 . . . . 72 GLY CA . 11178 1 774 . 1 1 72 72 GLY N N 15 116.714 0.300 . 1 . . . . 72 GLY N . 11178 1 stop_ save_