data_11206 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11206 _Entry.Title ; Solution structure of the fourth PDZ domain of Glutamate receptor interacting protein 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-22 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-07-21 _Entry.Original_release_date 2011-07-21 _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 X. Qin . . . 11206 2 F. Hayashi . . . 11206 3 S. Yokoyama . . . 11206 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)' . 11206 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11206 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 440 11206 '15N chemical shifts' 104 11206 '1H chemical shifts' 706 11206 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 . . 2011-07-21 2010-07-22 original author . 11206 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X5R 'BMRB Entry Tracking System' 11206 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11206 _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 fourth PDZ domain of Glutamate receptor interacting protein 2 ; _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 X. Qin . . . 11206 1 2 F. Hayashi . . . 11206 1 3 S. Yokoyama . . . 11206 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11206 _Assembly.ID 1 _Assembly.Name 'Glutamate receptor interacting protein 2' _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 'PDZ domain of Glutamate receptor interacting protein 2' 1 $entity_1 A . yes native no no . . . 11206 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 1x5r . . . . . . 11206 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11206 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PDZ 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 ; GSSGSSGGGQIVHTETTEVV LCGDPLSGFGLQLQGGIFAT ETLSSPPLVCFIEPDSPAER CGLLQVGDRVLSINGIATED GTMEEANQLLRDAALAHKVV LEVEFDSGPSSG ; _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 112 _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 2014-05-12 loop_ _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 no PDB 1X5R . "Solution Structure Of The Fourth Pdz Domain Of Glutamate Receptor Interacting Protein 2" . . . . . 100.00 112 100.00 100.00 8.02e-72 . . . . 11206 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PDZ domain' . 11206 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 . 11206 1 2 . SER . 11206 1 3 . SER . 11206 1 4 . GLY . 11206 1 5 . SER . 11206 1 6 . SER . 11206 1 7 . GLY . 11206 1 8 . GLY . 11206 1 9 . GLY . 11206 1 10 . GLN . 11206 1 11 . ILE . 11206 1 12 . VAL . 11206 1 13 . HIS . 11206 1 14 . THR . 11206 1 15 . GLU . 11206 1 16 . THR . 11206 1 17 . THR . 11206 1 18 . GLU . 11206 1 19 . VAL . 11206 1 20 . VAL . 11206 1 21 . LEU . 11206 1 22 . CYS . 11206 1 23 . GLY . 11206 1 24 . ASP . 11206 1 25 . PRO . 11206 1 26 . LEU . 11206 1 27 . SER . 11206 1 28 . GLY . 11206 1 29 . PHE . 11206 1 30 . GLY . 11206 1 31 . LEU . 11206 1 32 . GLN . 11206 1 33 . LEU . 11206 1 34 . GLN . 11206 1 35 . GLY . 11206 1 36 . GLY . 11206 1 37 . ILE . 11206 1 38 . PHE . 11206 1 39 . ALA . 11206 1 40 . THR . 11206 1 41 . GLU . 11206 1 42 . THR . 11206 1 43 . LEU . 11206 1 44 . SER . 11206 1 45 . SER . 11206 1 46 . PRO . 11206 1 47 . PRO . 11206 1 48 . LEU . 11206 1 49 . VAL . 11206 1 50 . CYS . 11206 1 51 . PHE . 11206 1 52 . ILE . 11206 1 53 . GLU . 11206 1 54 . PRO . 11206 1 55 . ASP . 11206 1 56 . SER . 11206 1 57 . PRO . 11206 1 58 . ALA . 11206 1 59 . GLU . 11206 1 60 . ARG . 11206 1 61 . CYS . 11206 1 62 . GLY . 11206 1 63 . LEU . 11206 1 64 . LEU . 11206 1 65 . GLN . 11206 1 66 . VAL . 11206 1 67 . GLY . 11206 1 68 . ASP . 11206 1 69 . ARG . 11206 1 70 . VAL . 11206 1 71 . LEU . 11206 1 72 . SER . 11206 1 73 . ILE . 11206 1 74 . ASN . 11206 1 75 . GLY . 11206 1 76 . ILE . 11206 1 77 . ALA . 11206 1 78 . THR . 11206 1 79 . GLU . 11206 1 80 . ASP . 11206 1 81 . GLY . 11206 1 82 . THR . 11206 1 83 . MET . 11206 1 84 . GLU . 11206 1 85 . GLU . 11206 1 86 . ALA . 11206 1 87 . ASN . 11206 1 88 . GLN . 11206 1 89 . LEU . 11206 1 90 . LEU . 11206 1 91 . ARG . 11206 1 92 . ASP . 11206 1 93 . ALA . 11206 1 94 . ALA . 11206 1 95 . LEU . 11206 1 96 . ALA . 11206 1 97 . HIS . 11206 1 98 . LYS . 11206 1 99 . VAL . 11206 1 100 . VAL . 11206 1 101 . LEU . 11206 1 102 . GLU . 11206 1 103 . VAL . 11206 1 104 . GLU . 11206 1 105 . PHE . 11206 1 106 . ASP . 11206 1 107 . SER . 11206 1 108 . GLY . 11206 1 109 . PRO . 11206 1 110 . SER . 11206 1 111 . SER . 11206 1 112 . GLY . 11206 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 11206 1 . SER 2 2 11206 1 . SER 3 3 11206 1 . GLY 4 4 11206 1 . SER 5 5 11206 1 . SER 6 6 11206 1 . GLY 7 7 11206 1 . GLY 8 8 11206 1 . GLY 9 9 11206 1 . GLN 10 10 11206 1 . ILE 11 11 11206 1 . VAL 12 12 11206 1 . HIS 13 13 11206 1 . THR 14 14 11206 1 . GLU 15 15 11206 1 . THR 16 16 11206 1 . THR 17 17 11206 1 . GLU 18 18 11206 1 . VAL 19 19 11206 1 . VAL 20 20 11206 1 . LEU 21 21 11206 1 . CYS 22 22 11206 1 . GLY 23 23 11206 1 . ASP 24 24 11206 1 . PRO 25 25 11206 1 . LEU 26 26 11206 1 . SER 27 27 11206 1 . GLY 28 28 11206 1 . PHE 29 29 11206 1 . GLY 30 30 11206 1 . LEU 31 31 11206 1 . GLN 32 32 11206 1 . LEU 33 33 11206 1 . GLN 34 34 11206 1 . GLY 35 35 11206 1 . GLY 36 36 11206 1 . ILE 37 37 11206 1 . PHE 38 38 11206 1 . ALA 39 39 11206 1 . THR 40 40 11206 1 . GLU 41 41 11206 1 . THR 42 42 11206 1 . LEU 43 43 11206 1 . SER 44 44 11206 1 . SER 45 45 11206 1 . PRO 46 46 11206 1 . PRO 47 47 11206 1 . LEU 48 48 11206 1 . VAL 49 49 11206 1 . CYS 50 50 11206 1 . PHE 51 51 11206 1 . ILE 52 52 11206 1 . GLU 53 53 11206 1 . PRO 54 54 11206 1 . ASP 55 55 11206 1 . SER 56 56 11206 1 . PRO 57 57 11206 1 . ALA 58 58 11206 1 . GLU 59 59 11206 1 . ARG 60 60 11206 1 . CYS 61 61 11206 1 . GLY 62 62 11206 1 . LEU 63 63 11206 1 . LEU 64 64 11206 1 . GLN 65 65 11206 1 . VAL 66 66 11206 1 . GLY 67 67 11206 1 . ASP 68 68 11206 1 . ARG 69 69 11206 1 . VAL 70 70 11206 1 . LEU 71 71 11206 1 . SER 72 72 11206 1 . ILE 73 73 11206 1 . ASN 74 74 11206 1 . GLY 75 75 11206 1 . ILE 76 76 11206 1 . ALA 77 77 11206 1 . THR 78 78 11206 1 . GLU 79 79 11206 1 . ASP 80 80 11206 1 . GLY 81 81 11206 1 . THR 82 82 11206 1 . MET 83 83 11206 1 . GLU 84 84 11206 1 . GLU 85 85 11206 1 . ALA 86 86 11206 1 . ASN 87 87 11206 1 . GLN 88 88 11206 1 . LEU 89 89 11206 1 . LEU 90 90 11206 1 . ARG 91 91 11206 1 . ASP 92 92 11206 1 . ALA 93 93 11206 1 . ALA 94 94 11206 1 . LEU 95 95 11206 1 . ALA 96 96 11206 1 . HIS 97 97 11206 1 . LYS 98 98 11206 1 . VAL 99 99 11206 1 . VAL 100 100 11206 1 . LEU 101 101 11206 1 . GLU 102 102 11206 1 . VAL 103 103 11206 1 . GLU 104 104 11206 1 . PHE 105 105 11206 1 . ASP 106 106 11206 1 . SER 107 107 11206 1 . GLY 108 108 11206 1 . PRO 109 109 11206 1 . SER 110 110 11206 1 . SER 111 111 11206 1 . GLY 112 112 11206 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 11206 _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 . . . . . . . . . . . . . . . . . . . . . 11206 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 11206 _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 . . P040705-16 . . . . . . 11206 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11206 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.95mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; _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 'PDZ domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.95 . . mM . . . . 11206 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11206 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11206 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11206 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11206 1 6 H2O . . . . . . solvent 90 . . % . . . . 11206 1 7 D2O . . . . . . solvent 10 . . % . . . . 11206 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 11206 _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 11206 1 pH 7.0 0.05 pH 11206 1 pressure 1 0.001 atm 11206 1 temperature 298 0.1 K 11206 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11206 _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 . . 11206 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11206 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11206 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID DelaglioF. . . 11206 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11206 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11206 _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 JohnsonB.A. . . 11206 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11206 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11206 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9296 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID KobayashiN. . . 11206 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11206 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11206 _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 GuntertP. . . 11206 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11206 5 'structure solution' 11206 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 11206 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11206 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 11206 _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 . . . 11206 1 2 spectrometer_2 Varian INOVA . 900 . . . 11206 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 11206 _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 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11206 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11206 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 11206 _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 . . . . . . . . . 11206 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11206 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11206 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 11206 _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 15N-separated NOESY' 1 $sample_1 isotropic 11206 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11206 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 . . 11206 1 2 $NMRPipe . . 11206 1 3 $NMRView . . 11206 1 4 $Kujira . . 11206 1 5 $CYANA . . 11206 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 8 8 GLY HA2 H 1 3.998 0.030 . 1 . . . . 8 GLY HA2 . 11206 1 2 . 1 1 8 8 GLY HA3 H 1 3.998 0.030 . 1 . . . . 8 GLY HA3 . 11206 1 3 . 1 1 8 8 GLY C C 13 174.808 0.300 . 1 . . . . 8 GLY C . 11206 1 4 . 1 1 8 8 GLY CA C 13 45.449 0.300 . 1 . . . . 8 GLY CA . 11206 1 5 . 1 1 9 9 GLY H H 1 8.315 0.030 . 1 . . . . 9 GLY H . 11206 1 6 . 1 1 9 9 GLY HA2 H 1 3.957 0.030 . 1 . . . . 9 GLY HA2 . 11206 1 7 . 1 1 9 9 GLY HA3 H 1 3.957 0.030 . 1 . . . . 9 GLY HA3 . 11206 1 8 . 1 1 9 9 GLY C C 13 174.024 0.300 . 1 . . . . 9 GLY C . 11206 1 9 . 1 1 9 9 GLY CA C 13 45.228 0.300 . 1 . . . . 9 GLY CA . 11206 1 10 . 1 1 9 9 GLY N N 15 108.764 0.300 . 1 . . . . 9 GLY N . 11206 1 11 . 1 1 10 10 GLN H H 1 8.228 0.030 . 1 . . . . 10 GLN H . 11206 1 12 . 1 1 10 10 GLN HA H 1 4.351 0.030 . 1 . . . . 10 GLN HA . 11206 1 13 . 1 1 10 10 GLN HB2 H 1 2.060 0.030 . 2 . . . . 10 GLN HB2 . 11206 1 14 . 1 1 10 10 GLN HB3 H 1 1.953 0.030 . 2 . . . . 10 GLN HB3 . 11206 1 15 . 1 1 10 10 GLN HE21 H 1 7.521 0.030 . 2 . . . . 10 GLN HE21 . 11206 1 16 . 1 1 10 10 GLN HE22 H 1 6.861 0.030 . 2 . . . . 10 GLN HE22 . 11206 1 17 . 1 1 10 10 GLN HG2 H 1 2.322 0.030 . 1 . . . . 10 GLN HG2 . 11206 1 18 . 1 1 10 10 GLN HG3 H 1 2.322 0.030 . 1 . . . . 10 GLN HG3 . 11206 1 19 . 1 1 10 10 GLN C C 13 175.764 0.300 . 1 . . . . 10 GLN C . 11206 1 20 . 1 1 10 10 GLN CA C 13 55.719 0.300 . 1 . . . . 10 GLN CA . 11206 1 21 . 1 1 10 10 GLN CB C 13 29.582 0.300 . 1 . . . . 10 GLN CB . 11206 1 22 . 1 1 10 10 GLN CG C 13 33.863 0.300 . 1 . . . . 10 GLN CG . 11206 1 23 . 1 1 10 10 GLN N N 15 119.878 0.300 . 1 . . . . 10 GLN N . 11206 1 24 . 1 1 10 10 GLN NE2 N 15 112.468 0.300 . 1 . . . . 10 GLN NE2 . 11206 1 25 . 1 1 11 11 ILE H H 1 8.247 0.030 . 1 . . . . 11 ILE H . 11206 1 26 . 1 1 11 11 ILE HA H 1 4.137 0.030 . 1 . . . . 11 ILE HA . 11206 1 27 . 1 1 11 11 ILE HB H 1 1.791 0.030 . 1 . . . . 11 ILE HB . 11206 1 28 . 1 1 11 11 ILE HD11 H 1 0.831 0.030 . 1 . . . . 11 ILE HD1 . 11206 1 29 . 1 1 11 11 ILE HD12 H 1 0.831 0.030 . 1 . . . . 11 ILE HD1 . 11206 1 30 . 1 1 11 11 ILE HD13 H 1 0.831 0.030 . 1 . . . . 11 ILE HD1 . 11206 1 31 . 1 1 11 11 ILE HG12 H 1 1.437 0.030 . 2 . . . . 11 ILE HG12 . 11206 1 32 . 1 1 11 11 ILE HG13 H 1 1.147 0.030 . 2 . . . . 11 ILE HG13 . 11206 1 33 . 1 1 11 11 ILE HG21 H 1 0.771 0.030 . 1 . . . . 11 ILE HG2 . 11206 1 34 . 1 1 11 11 ILE HG22 H 1 0.771 0.030 . 1 . . . . 11 ILE HG2 . 11206 1 35 . 1 1 11 11 ILE HG23 H 1 0.771 0.030 . 1 . . . . 11 ILE HG2 . 11206 1 36 . 1 1 11 11 ILE C C 13 175.865 0.300 . 1 . . . . 11 ILE C . 11206 1 37 . 1 1 11 11 ILE CA C 13 61.071 0.300 . 1 . . . . 11 ILE CA . 11206 1 38 . 1 1 11 11 ILE CB C 13 38.600 0.300 . 1 . . . . 11 ILE CB . 11206 1 39 . 1 1 11 11 ILE CD1 C 13 12.732 0.300 . 1 . . . . 11 ILE CD1 . 11206 1 40 . 1 1 11 11 ILE CG1 C 13 27.282 0.300 . 1 . . . . 11 ILE CG1 . 11206 1 41 . 1 1 11 11 ILE CG2 C 13 17.459 0.300 . 1 . . . . 11 ILE CG2 . 11206 1 42 . 1 1 11 11 ILE N N 15 122.894 0.300 . 1 . . . . 11 ILE N . 11206 1 43 . 1 1 12 12 VAL H H 1 8.205 0.030 . 1 . . . . 12 VAL H . 11206 1 44 . 1 1 12 12 VAL HA H 1 4.143 0.030 . 1 . . . . 12 VAL HA . 11206 1 45 . 1 1 12 12 VAL HB H 1 1.970 0.030 . 1 . . . . 12 VAL HB . 11206 1 46 . 1 1 12 12 VAL HG11 H 1 0.854 0.030 . 1 . . . . 12 VAL HG1 . 11206 1 47 . 1 1 12 12 VAL HG12 H 1 0.854 0.030 . 1 . . . . 12 VAL HG1 . 11206 1 48 . 1 1 12 12 VAL HG13 H 1 0.854 0.030 . 1 . . . . 12 VAL HG1 . 11206 1 49 . 1 1 12 12 VAL HG21 H 1 0.875 0.030 . 1 . . . . 12 VAL HG2 . 11206 1 50 . 1 1 12 12 VAL HG22 H 1 0.875 0.030 . 1 . . . . 12 VAL HG2 . 11206 1 51 . 1 1 12 12 VAL HG23 H 1 0.875 0.030 . 1 . . . . 12 VAL HG2 . 11206 1 52 . 1 1 12 12 VAL C C 13 175.474 0.300 . 1 . . . . 12 VAL C . 11206 1 53 . 1 1 12 12 VAL CA C 13 61.837 0.300 . 1 . . . . 12 VAL CA . 11206 1 54 . 1 1 12 12 VAL CB C 13 33.210 0.300 . 1 . . . . 12 VAL CB . 11206 1 55 . 1 1 12 12 VAL CG1 C 13 21.183 0.300 . 2 . . . . 12 VAL CG1 . 11206 1 56 . 1 1 12 12 VAL CG2 C 13 20.563 0.300 . 2 . . . . 12 VAL CG2 . 11206 1 57 . 1 1 12 12 VAL N N 15 124.956 0.300 . 1 . . . . 12 VAL N . 11206 1 58 . 1 1 13 13 HIS H H 1 8.576 0.030 . 1 . . . . 13 HIS H . 11206 1 59 . 1 1 13 13 HIS HA H 1 4.770 0.030 . 1 . . . . 13 HIS HA . 11206 1 60 . 1 1 13 13 HIS HB2 H 1 3.139 0.030 . 2 . . . . 13 HIS HB2 . 11206 1 61 . 1 1 13 13 HIS HB3 H 1 3.069 0.030 . 2 . . . . 13 HIS HB3 . 11206 1 62 . 1 1 13 13 HIS HD2 H 1 7.086 0.030 . 1 . . . . 13 HIS HD2 . 11206 1 63 . 1 1 13 13 HIS HE1 H 1 7.906 0.030 . 1 . . . . 13 HIS HE1 . 11206 1 64 . 1 1 13 13 HIS C C 13 174.594 0.300 . 1 . . . . 13 HIS C . 11206 1 65 . 1 1 13 13 HIS CA C 13 55.797 0.300 . 1 . . . . 13 HIS CA . 11206 1 66 . 1 1 13 13 HIS CB C 13 30.619 0.300 . 1 . . . . 13 HIS CB . 11206 1 67 . 1 1 13 13 HIS CD2 C 13 120.118 0.300 . 1 . . . . 13 HIS CD2 . 11206 1 68 . 1 1 13 13 HIS CE1 C 13 138.280 0.300 . 1 . . . . 13 HIS CE1 . 11206 1 69 . 1 1 13 13 HIS N N 15 124.645 0.300 . 1 . . . . 13 HIS N . 11206 1 70 . 1 1 14 14 THR H H 1 8.047 0.030 . 1 . . . . 14 THR H . 11206 1 71 . 1 1 14 14 THR HA H 1 4.679 0.030 . 1 . . . . 14 THR HA . 11206 1 72 . 1 1 14 14 THR HB H 1 4.016 0.030 . 1 . . . . 14 THR HB . 11206 1 73 . 1 1 14 14 THR HG21 H 1 1.066 0.030 . 1 . . . . 14 THR HG2 . 11206 1 74 . 1 1 14 14 THR HG22 H 1 1.066 0.030 . 1 . . . . 14 THR HG2 . 11206 1 75 . 1 1 14 14 THR HG23 H 1 1.066 0.030 . 1 . . . . 14 THR HG2 . 11206 1 76 . 1 1 14 14 THR C C 13 173.575 0.300 . 1 . . . . 14 THR C . 11206 1 77 . 1 1 14 14 THR CA C 13 60.882 0.300 . 1 . . . . 14 THR CA . 11206 1 78 . 1 1 14 14 THR CB C 13 70.885 0.300 . 1 . . . . 14 THR CB . 11206 1 79 . 1 1 14 14 THR CG2 C 13 21.889 0.300 . 1 . . . . 14 THR CG2 . 11206 1 80 . 1 1 14 14 THR N N 15 115.776 0.300 . 1 . . . . 14 THR N . 11206 1 81 . 1 1 15 15 GLU H H 1 8.423 0.030 . 1 . . . . 15 GLU H . 11206 1 82 . 1 1 15 15 GLU HA H 1 4.456 0.030 . 1 . . . . 15 GLU HA . 11206 1 83 . 1 1 15 15 GLU HB2 H 1 1.847 0.030 . 2 . . . . 15 GLU HB2 . 11206 1 84 . 1 1 15 15 GLU HB3 H 1 1.494 0.030 . 2 . . . . 15 GLU HB3 . 11206 1 85 . 1 1 15 15 GLU HG2 H 1 2.143 0.030 . 1 . . . . 15 GLU HG2 . 11206 1 86 . 1 1 15 15 GLU HG3 H 1 2.143 0.030 . 1 . . . . 15 GLU HG3 . 11206 1 87 . 1 1 15 15 GLU C C 13 174.585 0.300 . 1 . . . . 15 GLU C . 11206 1 88 . 1 1 15 15 GLU CA C 13 55.427 0.300 . 1 . . . . 15 GLU CA . 11206 1 89 . 1 1 15 15 GLU CB C 13 32.664 0.300 . 1 . . . . 15 GLU CB . 11206 1 90 . 1 1 15 15 GLU CG C 13 36.443 0.300 . 1 . . . . 15 GLU CG . 11206 1 91 . 1 1 15 15 GLU N N 15 122.353 0.300 . 1 . . . . 15 GLU N . 11206 1 92 . 1 1 16 16 THR H H 1 8.049 0.030 . 1 . . . . 16 THR H . 11206 1 93 . 1 1 16 16 THR HA H 1 5.379 0.030 . 1 . . . . 16 THR HA . 11206 1 94 . 1 1 16 16 THR HB H 1 4.045 0.030 . 1 . . . . 16 THR HB . 11206 1 95 . 1 1 16 16 THR HG21 H 1 1.041 0.030 . 1 . . . . 16 THR HG2 . 11206 1 96 . 1 1 16 16 THR HG22 H 1 1.041 0.030 . 1 . . . . 16 THR HG2 . 11206 1 97 . 1 1 16 16 THR HG23 H 1 1.041 0.030 . 1 . . . . 16 THR HG2 . 11206 1 98 . 1 1 16 16 THR C C 13 174.629 0.300 . 1 . . . . 16 THR C . 11206 1 99 . 1 1 16 16 THR CA C 13 59.850 0.300 . 1 . . . . 16 THR CA . 11206 1 100 . 1 1 16 16 THR CB C 13 71.608 0.300 . 1 . . . . 16 THR CB . 11206 1 101 . 1 1 16 16 THR CG2 C 13 22.201 0.300 . 1 . . . . 16 THR CG2 . 11206 1 102 . 1 1 16 16 THR N N 15 111.608 0.300 . 1 . . . . 16 THR N . 11206 1 103 . 1 1 17 17 THR H H 1 8.935 0.030 . 1 . . . . 17 THR H . 11206 1 104 . 1 1 17 17 THR HA H 1 4.648 0.030 . 1 . . . . 17 THR HA . 11206 1 105 . 1 1 17 17 THR HB H 1 4.017 0.030 . 1 . . . . 17 THR HB . 11206 1 106 . 1 1 17 17 THR HG21 H 1 1.117 0.030 . 1 . . . . 17 THR HG2 . 11206 1 107 . 1 1 17 17 THR HG22 H 1 1.117 0.030 . 1 . . . . 17 THR HG2 . 11206 1 108 . 1 1 17 17 THR HG23 H 1 1.117 0.030 . 1 . . . . 17 THR HG2 . 11206 1 109 . 1 1 17 17 THR C C 13 171.860 0.300 . 1 . . . . 17 THR C . 11206 1 110 . 1 1 17 17 THR CA C 13 61.207 0.300 . 1 . . . . 17 THR CA . 11206 1 111 . 1 1 17 17 THR CB C 13 70.867 0.300 . 1 . . . . 17 THR CB . 11206 1 112 . 1 1 17 17 THR CG2 C 13 20.324 0.300 . 1 . . . . 17 THR CG2 . 11206 1 113 . 1 1 17 17 THR N N 15 117.254 0.300 . 1 . . . . 17 THR N . 11206 1 114 . 1 1 18 18 GLU H H 1 8.218 0.030 . 1 . . . . 18 GLU H . 11206 1 115 . 1 1 18 18 GLU HA H 1 5.156 0.030 . 1 . . . . 18 GLU HA . 11206 1 116 . 1 1 18 18 GLU HB2 H 1 1.942 0.030 . 2 . . . . 18 GLU HB2 . 11206 1 117 . 1 1 18 18 GLU HB3 H 1 1.844 0.030 . 2 . . . . 18 GLU HB3 . 11206 1 118 . 1 1 18 18 GLU HG2 H 1 2.094 0.030 . 2 . . . . 18 GLU HG2 . 11206 1 119 . 1 1 18 18 GLU HG3 H 1 1.852 0.030 . 2 . . . . 18 GLU HG3 . 11206 1 120 . 1 1 18 18 GLU C C 13 175.688 0.300 . 1 . . . . 18 GLU C . 11206 1 121 . 1 1 18 18 GLU CA C 13 55.432 0.300 . 1 . . . . 18 GLU CA . 11206 1 122 . 1 1 18 18 GLU CB C 13 31.904 0.300 . 1 . . . . 18 GLU CB . 11206 1 123 . 1 1 18 18 GLU CG C 13 37.843 0.300 . 1 . . . . 18 GLU CG . 11206 1 124 . 1 1 18 18 GLU N N 15 125.346 0.300 . 1 . . . . 18 GLU N . 11206 1 125 . 1 1 19 19 VAL H H 1 9.272 0.030 . 1 . . . . 19 VAL H . 11206 1 126 . 1 1 19 19 VAL HA H 1 4.206 0.030 . 1 . . . . 19 VAL HA . 11206 1 127 . 1 1 19 19 VAL HB H 1 1.831 0.030 . 1 . . . . 19 VAL HB . 11206 1 128 . 1 1 19 19 VAL HG11 H 1 0.848 0.030 . 1 . . . . 19 VAL HG1 . 11206 1 129 . 1 1 19 19 VAL HG12 H 1 0.848 0.030 . 1 . . . . 19 VAL HG1 . 11206 1 130 . 1 1 19 19 VAL HG13 H 1 0.848 0.030 . 1 . . . . 19 VAL HG1 . 11206 1 131 . 1 1 19 19 VAL HG21 H 1 0.841 0.030 . 1 . . . . 19 VAL HG2 . 11206 1 132 . 1 1 19 19 VAL HG22 H 1 0.841 0.030 . 1 . . . . 19 VAL HG2 . 11206 1 133 . 1 1 19 19 VAL HG23 H 1 0.841 0.030 . 1 . . . . 19 VAL HG2 . 11206 1 134 . 1 1 19 19 VAL C C 13 173.719 0.300 . 1 . . . . 19 VAL C . 11206 1 135 . 1 1 19 19 VAL CA C 13 61.696 0.300 . 1 . . . . 19 VAL CA . 11206 1 136 . 1 1 19 19 VAL CB C 13 35.174 0.300 . 1 . . . . 19 VAL CB . 11206 1 137 . 1 1 19 19 VAL CG1 C 13 21.887 0.300 . 2 . . . . 19 VAL CG1 . 11206 1 138 . 1 1 19 19 VAL CG2 C 13 21.645 0.300 . 2 . . . . 19 VAL CG2 . 11206 1 139 . 1 1 19 19 VAL N N 15 126.765 0.300 . 1 . . . . 19 VAL N . 11206 1 140 . 1 1 20 20 VAL H H 1 8.537 0.030 . 1 . . . . 20 VAL H . 11206 1 141 . 1 1 20 20 VAL HA H 1 4.835 0.030 . 1 . . . . 20 VAL HA . 11206 1 142 . 1 1 20 20 VAL HB H 1 1.990 0.030 . 1 . . . . 20 VAL HB . 11206 1 143 . 1 1 20 20 VAL HG11 H 1 0.838 0.030 . 1 . . . . 20 VAL HG1 . 11206 1 144 . 1 1 20 20 VAL HG12 H 1 0.838 0.030 . 1 . . . . 20 VAL HG1 . 11206 1 145 . 1 1 20 20 VAL HG13 H 1 0.838 0.030 . 1 . . . . 20 VAL HG1 . 11206 1 146 . 1 1 20 20 VAL HG21 H 1 0.953 0.030 . 1 . . . . 20 VAL HG2 . 11206 1 147 . 1 1 20 20 VAL HG22 H 1 0.953 0.030 . 1 . . . . 20 VAL HG2 . 11206 1 148 . 1 1 20 20 VAL HG23 H 1 0.953 0.030 . 1 . . . . 20 VAL HG2 . 11206 1 149 . 1 1 20 20 VAL C C 13 175.873 0.300 . 1 . . . . 20 VAL C . 11206 1 150 . 1 1 20 20 VAL CA C 13 61.206 0.300 . 1 . . . . 20 VAL CA . 11206 1 151 . 1 1 20 20 VAL CB C 13 32.699 0.300 . 1 . . . . 20 VAL CB . 11206 1 152 . 1 1 20 20 VAL CG1 C 13 21.140 0.300 . 2 . . . . 20 VAL CG1 . 11206 1 153 . 1 1 20 20 VAL CG2 C 13 21.488 0.300 . 2 . . . . 20 VAL CG2 . 11206 1 154 . 1 1 20 20 VAL N N 15 128.241 0.300 . 1 . . . . 20 VAL N . 11206 1 155 . 1 1 21 21 LEU H H 1 8.671 0.030 . 1 . . . . 21 LEU H . 11206 1 156 . 1 1 21 21 LEU HA H 1 4.955 0.030 . 1 . . . . 21 LEU HA . 11206 1 157 . 1 1 21 21 LEU HB2 H 1 1.439 0.030 . 2 . . . . 21 LEU HB2 . 11206 1 158 . 1 1 21 21 LEU HB3 H 1 1.277 0.030 . 2 . . . . 21 LEU HB3 . 11206 1 159 . 1 1 21 21 LEU HD11 H 1 0.605 0.030 . 1 . . . . 21 LEU HD1 . 11206 1 160 . 1 1 21 21 LEU HD12 H 1 0.605 0.030 . 1 . . . . 21 LEU HD1 . 11206 1 161 . 1 1 21 21 LEU HD13 H 1 0.605 0.030 . 1 . . . . 21 LEU HD1 . 11206 1 162 . 1 1 21 21 LEU HD21 H 1 0.855 0.030 . 1 . . . . 21 LEU HD2 . 11206 1 163 . 1 1 21 21 LEU HD22 H 1 0.855 0.030 . 1 . . . . 21 LEU HD2 . 11206 1 164 . 1 1 21 21 LEU HD23 H 1 0.855 0.030 . 1 . . . . 21 LEU HD2 . 11206 1 165 . 1 1 21 21 LEU HG H 1 1.365 0.030 . 1 . . . . 21 LEU HG . 11206 1 166 . 1 1 21 21 LEU C C 13 175.480 0.300 . 1 . . . . 21 LEU C . 11206 1 167 . 1 1 21 21 LEU CA C 13 52.755 0.300 . 1 . . . . 21 LEU CA . 11206 1 168 . 1 1 21 21 LEU CB C 13 45.470 0.300 . 1 . . . . 21 LEU CB . 11206 1 169 . 1 1 21 21 LEU CD1 C 13 26.116 0.300 . 2 . . . . 21 LEU CD1 . 11206 1 170 . 1 1 21 21 LEU CD2 C 13 24.087 0.300 . 2 . . . . 21 LEU CD2 . 11206 1 171 . 1 1 21 21 LEU CG C 13 26.421 0.300 . 1 . . . . 21 LEU CG . 11206 1 172 . 1 1 21 21 LEU N N 15 125.473 0.300 . 1 . . . . 21 LEU N . 11206 1 173 . 1 1 22 22 CYS H H 1 8.561 0.030 . 1 . . . . 22 CYS H . 11206 1 174 . 1 1 22 22 CYS HA H 1 5.280 0.030 . 1 . . . . 22 CYS HA . 11206 1 175 . 1 1 22 22 CYS HB2 H 1 3.122 0.030 . 2 . . . . 22 CYS HB2 . 11206 1 176 . 1 1 22 22 CYS HB3 H 1 2.940 0.030 . 2 . . . . 22 CYS HB3 . 11206 1 177 . 1 1 22 22 CYS C C 13 174.329 0.300 . 1 . . . . 22 CYS C . 11206 1 178 . 1 1 22 22 CYS CA C 13 57.639 0.300 . 1 . . . . 22 CYS CA . 11206 1 179 . 1 1 22 22 CYS CB C 13 29.104 0.300 . 1 . . . . 22 CYS CB . 11206 1 180 . 1 1 22 22 CYS N N 15 120.061 0.300 . 1 . . . . 22 CYS N . 11206 1 181 . 1 1 23 23 GLY H H 1 7.701 0.030 . 1 . . . . 23 GLY H . 11206 1 182 . 1 1 23 23 GLY HA2 H 1 4.112 0.030 . 2 . . . . 23 GLY HA2 . 11206 1 183 . 1 1 23 23 GLY HA3 H 1 3.296 0.030 . 2 . . . . 23 GLY HA3 . 11206 1 184 . 1 1 23 23 GLY C C 13 171.226 0.300 . 1 . . . . 23 GLY C . 11206 1 185 . 1 1 23 23 GLY CA C 13 45.278 0.300 . 1 . . . . 23 GLY CA . 11206 1 186 . 1 1 23 23 GLY N N 15 108.102 0.300 . 1 . . . . 23 GLY N . 11206 1 187 . 1 1 24 24 ASP H H 1 7.715 0.030 . 1 . . . . 24 ASP H . 11206 1 188 . 1 1 24 24 ASP HA H 1 4.871 0.030 . 1 . . . . 24 ASP HA . 11206 1 189 . 1 1 24 24 ASP HB2 H 1 2.664 0.030 . 1 . . . . 24 ASP HB2 . 11206 1 190 . 1 1 24 24 ASP HB3 H 1 2.664 0.030 . 1 . . . . 24 ASP HB3 . 11206 1 191 . 1 1 24 24 ASP C C 13 174.750 0.300 . 1 . . . . 24 ASP C . 11206 1 192 . 1 1 24 24 ASP CA C 13 51.853 0.300 . 1 . . . . 24 ASP CA . 11206 1 193 . 1 1 24 24 ASP CB C 13 42.981 0.300 . 1 . . . . 24 ASP CB . 11206 1 194 . 1 1 24 24 ASP N N 15 119.550 0.300 . 1 . . . . 24 ASP N . 11206 1 195 . 1 1 25 25 PRO HA H 1 4.019 0.030 . 1 . . . . 25 PRO HA . 11206 1 196 . 1 1 25 25 PRO HB2 H 1 2.199 0.030 . 2 . . . . 25 PRO HB2 . 11206 1 197 . 1 1 25 25 PRO HB3 H 1 1.878 0.030 . 2 . . . . 25 PRO HB3 . 11206 1 198 . 1 1 25 25 PRO HD2 H 1 3.468 0.030 . 2 . . . . 25 PRO HD2 . 11206 1 199 . 1 1 25 25 PRO HD3 H 1 3.683 0.030 . 2 . . . . 25 PRO HD3 . 11206 1 200 . 1 1 25 25 PRO HG2 H 1 2.044 0.030 . 2 . . . . 25 PRO HG2 . 11206 1 201 . 1 1 25 25 PRO HG3 H 1 1.861 0.030 . 2 . . . . 25 PRO HG3 . 11206 1 202 . 1 1 25 25 PRO C C 13 177.090 0.300 . 1 . . . . 25 PRO C . 11206 1 203 . 1 1 25 25 PRO CA C 13 64.780 0.300 . 1 . . . . 25 PRO CA . 11206 1 204 . 1 1 25 25 PRO CB C 13 32.408 0.300 . 1 . . . . 25 PRO CB . 11206 1 205 . 1 1 25 25 PRO CD C 13 50.719 0.300 . 1 . . . . 25 PRO CD . 11206 1 206 . 1 1 25 25 PRO CG C 13 27.618 0.300 . 1 . . . . 25 PRO CG . 11206 1 207 . 1 1 26 26 LEU H H 1 8.284 0.030 . 1 . . . . 26 LEU H . 11206 1 208 . 1 1 26 26 LEU HA H 1 4.310 0.030 . 1 . . . . 26 LEU HA . 11206 1 209 . 1 1 26 26 LEU HB2 H 1 1.773 0.030 . 2 . . . . 26 LEU HB2 . 11206 1 210 . 1 1 26 26 LEU HB3 H 1 1.585 0.030 . 2 . . . . 26 LEU HB3 . 11206 1 211 . 1 1 26 26 LEU HD11 H 1 0.913 0.030 . 1 . . . . 26 LEU HD1 . 11206 1 212 . 1 1 26 26 LEU HD12 H 1 0.913 0.030 . 1 . . . . 26 LEU HD1 . 11206 1 213 . 1 1 26 26 LEU HD13 H 1 0.913 0.030 . 1 . . . . 26 LEU HD1 . 11206 1 214 . 1 1 26 26 LEU HD21 H 1 0.854 0.030 . 1 . . . . 26 LEU HD2 . 11206 1 215 . 1 1 26 26 LEU HD22 H 1 0.854 0.030 . 1 . . . . 26 LEU HD2 . 11206 1 216 . 1 1 26 26 LEU HD23 H 1 0.854 0.030 . 1 . . . . 26 LEU HD2 . 11206 1 217 . 1 1 26 26 LEU HG H 1 1.583 0.030 . 1 . . . . 26 LEU HG . 11206 1 218 . 1 1 26 26 LEU C C 13 178.648 0.300 . 1 . . . . 26 LEU C . 11206 1 219 . 1 1 26 26 LEU CA C 13 56.635 0.300 . 1 . . . . 26 LEU CA . 11206 1 220 . 1 1 26 26 LEU CB C 13 41.882 0.300 . 1 . . . . 26 LEU CB . 11206 1 221 . 1 1 26 26 LEU CD1 C 13 24.677 0.300 . 2 . . . . 26 LEU CD1 . 11206 1 222 . 1 1 26 26 LEU CD2 C 13 23.500 0.300 . 2 . . . . 26 LEU CD2 . 11206 1 223 . 1 1 26 26 LEU CG C 13 27.329 0.300 . 1 . . . . 26 LEU CG . 11206 1 224 . 1 1 26 26 LEU N N 15 117.635 0.300 . 1 . . . . 26 LEU N . 11206 1 225 . 1 1 27 27 SER H H 1 8.368 0.030 . 1 . . . . 27 SER H . 11206 1 226 . 1 1 27 27 SER HA H 1 4.494 0.030 . 1 . . . . 27 SER HA . 11206 1 227 . 1 1 27 27 SER HB2 H 1 3.901 0.030 . 2 . . . . 27 SER HB2 . 11206 1 228 . 1 1 27 27 SER HB3 H 1 3.795 0.030 . 2 . . . . 27 SER HB3 . 11206 1 229 . 1 1 27 27 SER C C 13 175.786 0.300 . 1 . . . . 27 SER C . 11206 1 230 . 1 1 27 27 SER CA C 13 58.739 0.300 . 1 . . . . 27 SER CA . 11206 1 231 . 1 1 27 27 SER CB C 13 64.157 0.300 . 1 . . . . 27 SER CB . 11206 1 232 . 1 1 27 27 SER N N 15 113.136 0.300 . 1 . . . . 27 SER N . 11206 1 233 . 1 1 28 28 GLY H H 1 8.194 0.030 . 1 . . . . 28 GLY H . 11206 1 234 . 1 1 28 28 GLY HA2 H 1 3.999 0.030 . 2 . . . . 28 GLY HA2 . 11206 1 235 . 1 1 28 28 GLY HA3 H 1 3.345 0.030 . 2 . . . . 28 GLY HA3 . 11206 1 236 . 1 1 28 28 GLY C C 13 174.228 0.300 . 1 . . . . 28 GLY C . 11206 1 237 . 1 1 28 28 GLY CA C 13 45.572 0.300 . 1 . . . . 28 GLY CA . 11206 1 238 . 1 1 28 28 GLY N N 15 111.209 0.300 . 1 . . . . 28 GLY N . 11206 1 239 . 1 1 29 29 PHE H H 1 8.605 0.030 . 1 . . . . 29 PHE H . 11206 1 240 . 1 1 29 29 PHE HA H 1 4.553 0.030 . 1 . . . . 29 PHE HA . 11206 1 241 . 1 1 29 29 PHE HB2 H 1 3.187 0.030 . 2 . . . . 29 PHE HB2 . 11206 1 242 . 1 1 29 29 PHE HB3 H 1 2.866 0.030 . 2 . . . . 29 PHE HB3 . 11206 1 243 . 1 1 29 29 PHE HD1 H 1 7.035 0.030 . 1 . . . . 29 PHE HD1 . 11206 1 244 . 1 1 29 29 PHE HD2 H 1 7.035 0.030 . 1 . . . . 29 PHE HD2 . 11206 1 245 . 1 1 29 29 PHE HE1 H 1 7.151 0.030 . 1 . . . . 29 PHE HE1 . 11206 1 246 . 1 1 29 29 PHE HE2 H 1 7.151 0.030 . 1 . . . . 29 PHE HE2 . 11206 1 247 . 1 1 29 29 PHE HZ H 1 6.652 0.030 . 1 . . . . 29 PHE HZ . 11206 1 248 . 1 1 29 29 PHE C C 13 175.972 0.300 . 1 . . . . 29 PHE C . 11206 1 249 . 1 1 29 29 PHE CA C 13 59.151 0.300 . 1 . . . . 29 PHE CA . 11206 1 250 . 1 1 29 29 PHE CB C 13 40.528 0.300 . 1 . . . . 29 PHE CB . 11206 1 251 . 1 1 29 29 PHE CD1 C 13 131.554 0.300 . 1 . . . . 29 PHE CD1 . 11206 1 252 . 1 1 29 29 PHE CD2 C 13 131.554 0.300 . 1 . . . . 29 PHE CD2 . 11206 1 253 . 1 1 29 29 PHE CE1 C 13 130.952 0.300 . 1 . . . . 29 PHE CE1 . 11206 1 254 . 1 1 29 29 PHE CE2 C 13 130.952 0.300 . 1 . . . . 29 PHE CE2 . 11206 1 255 . 1 1 29 29 PHE CZ C 13 129.088 0.300 . 1 . . . . 29 PHE CZ . 11206 1 256 . 1 1 29 29 PHE N N 15 118.079 0.300 . 1 . . . . 29 PHE N . 11206 1 257 . 1 1 30 30 GLY H H 1 8.632 0.030 . 1 . . . . 30 GLY H . 11206 1 258 . 1 1 30 30 GLY HA2 H 1 4.652 0.030 . 2 . . . . 30 GLY HA2 . 11206 1 259 . 1 1 30 30 GLY HA3 H 1 3.893 0.030 . 2 . . . . 30 GLY HA3 . 11206 1 260 . 1 1 30 30 GLY C C 13 172.902 0.300 . 1 . . . . 30 GLY C . 11206 1 261 . 1 1 30 30 GLY CA C 13 45.450 0.300 . 1 . . . . 30 GLY CA . 11206 1 262 . 1 1 30 30 GLY N N 15 105.825 0.300 . 1 . . . . 30 GLY N . 11206 1 263 . 1 1 31 31 LEU H H 1 7.438 0.030 . 1 . . . . 31 LEU H . 11206 1 264 . 1 1 31 31 LEU HA H 1 5.230 0.030 . 1 . . . . 31 LEU HA . 11206 1 265 . 1 1 31 31 LEU HB2 H 1 1.513 0.030 . 2 . . . . 31 LEU HB2 . 11206 1 266 . 1 1 31 31 LEU HB3 H 1 1.397 0.030 . 2 . . . . 31 LEU HB3 . 11206 1 267 . 1 1 31 31 LEU HD11 H 1 0.736 0.030 . 1 . . . . 31 LEU HD1 . 11206 1 268 . 1 1 31 31 LEU HD12 H 1 0.736 0.030 . 1 . . . . 31 LEU HD1 . 11206 1 269 . 1 1 31 31 LEU HD13 H 1 0.736 0.030 . 1 . . . . 31 LEU HD1 . 11206 1 270 . 1 1 31 31 LEU HD21 H 1 0.745 0.030 . 1 . . . . 31 LEU HD2 . 11206 1 271 . 1 1 31 31 LEU HD22 H 1 0.745 0.030 . 1 . . . . 31 LEU HD2 . 11206 1 272 . 1 1 31 31 LEU HD23 H 1 0.745 0.030 . 1 . . . . 31 LEU HD2 . 11206 1 273 . 1 1 31 31 LEU HG H 1 1.507 0.030 . 1 . . . . 31 LEU HG . 11206 1 274 . 1 1 31 31 LEU C C 13 174.910 0.300 . 1 . . . . 31 LEU C . 11206 1 275 . 1 1 31 31 LEU CA C 13 53.395 0.300 . 1 . . . . 31 LEU CA . 11206 1 276 . 1 1 31 31 LEU CB C 13 45.707 0.300 . 1 . . . . 31 LEU CB . 11206 1 277 . 1 1 31 31 LEU CD1 C 13 26.605 0.300 . 2 . . . . 31 LEU CD1 . 11206 1 278 . 1 1 31 31 LEU CD2 C 13 26.606 0.300 . 2 . . . . 31 LEU CD2 . 11206 1 279 . 1 1 31 31 LEU CG C 13 26.712 0.300 . 1 . . . . 31 LEU CG . 11206 1 280 . 1 1 31 31 LEU N N 15 116.608 0.300 . 1 . . . . 31 LEU N . 11206 1 281 . 1 1 32 32 GLN H H 1 8.221 0.030 . 1 . . . . 32 GLN H . 11206 1 282 . 1 1 32 32 GLN HA H 1 4.710 0.030 . 1 . . . . 32 GLN HA . 11206 1 283 . 1 1 32 32 GLN HB2 H 1 2.179 0.030 . 2 . . . . 32 GLN HB2 . 11206 1 284 . 1 1 32 32 GLN HB3 H 1 2.028 0.030 . 2 . . . . 32 GLN HB3 . 11206 1 285 . 1 1 32 32 GLN HE21 H 1 6.620 0.030 . 2 . . . . 32 GLN HE21 . 11206 1 286 . 1 1 32 32 GLN HE22 H 1 7.633 0.030 . 2 . . . . 32 GLN HE22 . 11206 1 287 . 1 1 32 32 GLN HG2 H 1 2.427 0.030 . 1 . . . . 32 GLN HG2 . 11206 1 288 . 1 1 32 32 GLN HG3 H 1 2.427 0.030 . 1 . . . . 32 GLN HG3 . 11206 1 289 . 1 1 32 32 GLN C C 13 174.657 0.300 . 1 . . . . 32 GLN C . 11206 1 290 . 1 1 32 32 GLN CA C 13 54.683 0.300 . 1 . . . . 32 GLN CA . 11206 1 291 . 1 1 32 32 GLN CB C 13 32.141 0.300 . 1 . . . . 32 GLN CB . 11206 1 292 . 1 1 32 32 GLN CG C 13 33.562 0.300 . 1 . . . . 32 GLN CG . 11206 1 293 . 1 1 32 32 GLN N N 15 120.787 0.300 . 1 . . . . 32 GLN N . 11206 1 294 . 1 1 32 32 GLN NE2 N 15 111.454 0.300 . 1 . . . . 32 GLN NE2 . 11206 1 295 . 1 1 33 33 LEU H H 1 9.049 0.030 . 1 . . . . 33 LEU H . 11206 1 296 . 1 1 33 33 LEU HA H 1 5.497 0.030 . 1 . . . . 33 LEU HA . 11206 1 297 . 1 1 33 33 LEU HB2 H 1 1.819 0.030 . 2 . . . . 33 LEU HB2 . 11206 1 298 . 1 1 33 33 LEU HB3 H 1 1.204 0.030 . 2 . . . . 33 LEU HB3 . 11206 1 299 . 1 1 33 33 LEU HD11 H 1 0.719 0.030 . 1 . . . . 33 LEU HD1 . 11206 1 300 . 1 1 33 33 LEU HD12 H 1 0.719 0.030 . 1 . . . . 33 LEU HD1 . 11206 1 301 . 1 1 33 33 LEU HD13 H 1 0.719 0.030 . 1 . . . . 33 LEU HD1 . 11206 1 302 . 1 1 33 33 LEU HD21 H 1 0.691 0.030 . 1 . . . . 33 LEU HD2 . 11206 1 303 . 1 1 33 33 LEU HD22 H 1 0.691 0.030 . 1 . . . . 33 LEU HD2 . 11206 1 304 . 1 1 33 33 LEU HD23 H 1 0.691 0.030 . 1 . . . . 33 LEU HD2 . 11206 1 305 . 1 1 33 33 LEU HG H 1 1.592 0.030 . 1 . . . . 33 LEU HG . 11206 1 306 . 1 1 33 33 LEU C C 13 176.509 0.300 . 1 . . . . 33 LEU C . 11206 1 307 . 1 1 33 33 LEU CA C 13 53.105 0.300 . 1 . . . . 33 LEU CA . 11206 1 308 . 1 1 33 33 LEU CB C 13 45.340 0.300 . 1 . . . . 33 LEU CB . 11206 1 309 . 1 1 33 33 LEU CD1 C 13 25.515 0.300 . 2 . . . . 33 LEU CD1 . 11206 1 310 . 1 1 33 33 LEU CD2 C 13 23.932 0.300 . 2 . . . . 33 LEU CD2 . 11206 1 311 . 1 1 33 33 LEU CG C 13 27.118 0.300 . 1 . . . . 33 LEU CG . 11206 1 312 . 1 1 33 33 LEU N N 15 123.482 0.300 . 1 . . . . 33 LEU N . 11206 1 313 . 1 1 34 34 GLN H H 1 9.286 0.030 . 1 . . . . 34 GLN H . 11206 1 314 . 1 1 34 34 GLN HA H 1 4.754 0.030 . 1 . . . . 34 GLN HA . 11206 1 315 . 1 1 34 34 GLN HB2 H 1 2.222 0.030 . 2 . . . . 34 GLN HB2 . 11206 1 316 . 1 1 34 34 GLN HB3 H 1 2.028 0.030 . 2 . . . . 34 GLN HB3 . 11206 1 317 . 1 1 34 34 GLN HE21 H 1 7.493 0.030 . 2 . . . . 34 GLN HE21 . 11206 1 318 . 1 1 34 34 GLN HE22 H 1 6.839 0.030 . 2 . . . . 34 GLN HE22 . 11206 1 319 . 1 1 34 34 GLN HG2 H 1 2.449 0.030 . 2 . . . . 34 GLN HG2 . 11206 1 320 . 1 1 34 34 GLN HG3 H 1 2.371 0.030 . 2 . . . . 34 GLN HG3 . 11206 1 321 . 1 1 34 34 GLN C C 13 174.334 0.300 . 1 . . . . 34 GLN C . 11206 1 322 . 1 1 34 34 GLN CA C 13 55.001 0.300 . 1 . . . . 34 GLN CA . 11206 1 323 . 1 1 34 34 GLN CB C 13 32.612 0.300 . 1 . . . . 34 GLN CB . 11206 1 324 . 1 1 34 34 GLN CG C 13 33.916 0.300 . 1 . . . . 34 GLN CG . 11206 1 325 . 1 1 34 34 GLN N N 15 120.618 0.300 . 1 . . . . 34 GLN N . 11206 1 326 . 1 1 34 34 GLN NE2 N 15 111.755 0.300 . 1 . . . . 34 GLN NE2 . 11206 1 327 . 1 1 35 35 GLY H H 1 8.607 0.030 . 1 . . . . 35 GLY H . 11206 1 328 . 1 1 35 35 GLY HA2 H 1 4.407 0.030 . 2 . . . . 35 GLY HA2 . 11206 1 329 . 1 1 35 35 GLY HA3 H 1 3.852 0.030 . 2 . . . . 35 GLY HA3 . 11206 1 330 . 1 1 35 35 GLY C C 13 173.506 0.300 . 1 . . . . 35 GLY C . 11206 1 331 . 1 1 35 35 GLY CA C 13 45.549 0.300 . 1 . . . . 35 GLY CA . 11206 1 332 . 1 1 35 35 GLY N N 15 113.670 0.300 . 1 . . . . 35 GLY N . 11206 1 333 . 1 1 36 36 GLY H H 1 8.159 0.030 . 1 . . . . 36 GLY H . 11206 1 334 . 1 1 36 36 GLY HA2 H 1 4.049 0.030 . 2 . . . . 36 GLY HA2 . 11206 1 335 . 1 1 36 36 GLY HA3 H 1 3.911 0.030 . 2 . . . . 36 GLY HA3 . 11206 1 336 . 1 1 36 36 GLY C C 13 173.858 0.300 . 1 . . . . 36 GLY C . 11206 1 337 . 1 1 36 36 GLY CA C 13 44.932 0.300 . 1 . . . . 36 GLY CA . 11206 1 338 . 1 1 36 36 GLY N N 15 109.332 0.300 . 1 . . . . 36 GLY N . 11206 1 339 . 1 1 37 37 ILE H H 1 8.214 0.030 . 1 . . . . 37 ILE H . 11206 1 340 . 1 1 37 37 ILE HA H 1 4.014 0.030 . 1 . . . . 37 ILE HA . 11206 1 341 . 1 1 37 37 ILE HB H 1 1.690 0.030 . 1 . . . . 37 ILE HB . 11206 1 342 . 1 1 37 37 ILE HD11 H 1 0.768 0.030 . 1 . . . . 37 ILE HD1 . 11206 1 343 . 1 1 37 37 ILE HD12 H 1 0.768 0.030 . 1 . . . . 37 ILE HD1 . 11206 1 344 . 1 1 37 37 ILE HD13 H 1 0.768 0.030 . 1 . . . . 37 ILE HD1 . 11206 1 345 . 1 1 37 37 ILE HG12 H 1 1.230 0.030 . 2 . . . . 37 ILE HG12 . 11206 1 346 . 1 1 37 37 ILE HG13 H 1 1.042 0.030 . 2 . . . . 37 ILE HG13 . 11206 1 347 . 1 1 37 37 ILE HG21 H 1 0.606 0.030 . 1 . . . . 37 ILE HG2 . 11206 1 348 . 1 1 37 37 ILE HG22 H 1 0.606 0.030 . 1 . . . . 37 ILE HG2 . 11206 1 349 . 1 1 37 37 ILE HG23 H 1 0.606 0.030 . 1 . . . . 37 ILE HG2 . 11206 1 350 . 1 1 37 37 ILE C C 13 176.298 0.300 . 1 . . . . 37 ILE C . 11206 1 351 . 1 1 37 37 ILE CA C 13 62.156 0.300 . 1 . . . . 37 ILE CA . 11206 1 352 . 1 1 37 37 ILE CB C 13 38.526 0.300 . 1 . . . . 37 ILE CB . 11206 1 353 . 1 1 37 37 ILE CD1 C 13 12.900 0.300 . 1 . . . . 37 ILE CD1 . 11206 1 354 . 1 1 37 37 ILE CG1 C 13 27.133 0.300 . 1 . . . . 37 ILE CG1 . 11206 1 355 . 1 1 37 37 ILE CG2 C 13 17.354 0.300 . 1 . . . . 37 ILE CG2 . 11206 1 356 . 1 1 37 37 ILE N N 15 118.907 0.300 . 1 . . . . 37 ILE N . 11206 1 357 . 1 1 38 38 PHE H H 1 8.180 0.030 . 1 . . . . 38 PHE H . 11206 1 358 . 1 1 38 38 PHE HA H 1 4.856 0.030 . 1 . . . . 38 PHE HA . 11206 1 359 . 1 1 38 38 PHE HB2 H 1 3.275 0.030 . 2 . . . . 38 PHE HB2 . 11206 1 360 . 1 1 38 38 PHE HB3 H 1 2.974 0.030 . 2 . . . . 38 PHE HB3 . 11206 1 361 . 1 1 38 38 PHE HD1 H 1 7.315 0.030 . 1 . . . . 38 PHE HD1 . 11206 1 362 . 1 1 38 38 PHE HD2 H 1 7.315 0.030 . 1 . . . . 38 PHE HD2 . 11206 1 363 . 1 1 38 38 PHE HE1 H 1 7.238 0.030 . 1 . . . . 38 PHE HE1 . 11206 1 364 . 1 1 38 38 PHE HE2 H 1 7.238 0.030 . 1 . . . . 38 PHE HE2 . 11206 1 365 . 1 1 38 38 PHE HZ H 1 7.313 0.030 . 1 . . . . 38 PHE HZ . 11206 1 366 . 1 1 38 38 PHE C C 13 176.353 0.300 . 1 . . . . 38 PHE C . 11206 1 367 . 1 1 38 38 PHE CA C 13 56.908 0.300 . 1 . . . . 38 PHE CA . 11206 1 368 . 1 1 38 38 PHE CB C 13 40.167 0.300 . 1 . . . . 38 PHE CB . 11206 1 369 . 1 1 38 38 PHE CD1 C 13 131.941 0.300 . 1 . . . . 38 PHE CD1 . 11206 1 370 . 1 1 38 38 PHE CD2 C 13 131.941 0.300 . 1 . . . . 38 PHE CD2 . 11206 1 371 . 1 1 38 38 PHE CE1 C 13 131.760 0.300 . 1 . . . . 38 PHE CE1 . 11206 1 372 . 1 1 38 38 PHE CE2 C 13 131.760 0.300 . 1 . . . . 38 PHE CE2 . 11206 1 373 . 1 1 38 38 PHE CZ C 13 129.770 0.300 . 1 . . . . 38 PHE CZ . 11206 1 374 . 1 1 38 38 PHE N N 15 120.753 0.300 . 1 . . . . 38 PHE N . 11206 1 375 . 1 1 39 39 ALA HA H 1 4.368 0.030 . 1 . . . . 39 ALA HA . 11206 1 376 . 1 1 39 39 ALA HB1 H 1 1.515 0.030 . 1 . . . . 39 ALA HB . 11206 1 377 . 1 1 39 39 ALA HB2 H 1 1.515 0.030 . 1 . . . . 39 ALA HB . 11206 1 378 . 1 1 39 39 ALA HB3 H 1 1.515 0.030 . 1 . . . . 39 ALA HB . 11206 1 379 . 1 1 39 39 ALA C C 13 177.566 0.300 . 1 . . . . 39 ALA C . 11206 1 380 . 1 1 39 39 ALA CA C 13 54.102 0.300 . 1 . . . . 39 ALA CA . 11206 1 381 . 1 1 39 39 ALA CB C 13 19.302 0.300 . 1 . . . . 39 ALA CB . 11206 1 382 . 1 1 40 40 THR H H 1 7.727 0.030 . 1 . . . . 40 THR H . 11206 1 383 . 1 1 40 40 THR HA H 1 4.441 0.030 . 1 . . . . 40 THR HA . 11206 1 384 . 1 1 40 40 THR HB H 1 4.536 0.030 . 1 . . . . 40 THR HB . 11206 1 385 . 1 1 40 40 THR HG21 H 1 1.239 0.030 . 1 . . . . 40 THR HG2 . 11206 1 386 . 1 1 40 40 THR HG22 H 1 1.239 0.030 . 1 . . . . 40 THR HG2 . 11206 1 387 . 1 1 40 40 THR HG23 H 1 1.239 0.030 . 1 . . . . 40 THR HG2 . 11206 1 388 . 1 1 40 40 THR C C 13 174.374 0.300 . 1 . . . . 40 THR C . 11206 1 389 . 1 1 40 40 THR CA C 13 61.144 0.300 . 1 . . . . 40 THR CA . 11206 1 390 . 1 1 40 40 THR CB C 13 69.422 0.300 . 1 . . . . 40 THR CB . 11206 1 391 . 1 1 40 40 THR CG2 C 13 21.865 0.300 . 1 . . . . 40 THR CG2 . 11206 1 392 . 1 1 40 40 THR N N 15 106.452 0.300 . 1 . . . . 40 THR N . 11206 1 393 . 1 1 41 41 GLU H H 1 7.887 0.030 . 1 . . . . 41 GLU H . 11206 1 394 . 1 1 41 41 GLU HA H 1 4.415 0.030 . 1 . . . . 41 GLU HA . 11206 1 395 . 1 1 41 41 GLU HB2 H 1 2.155 0.030 . 2 . . . . 41 GLU HB2 . 11206 1 396 . 1 1 41 41 GLU HB3 H 1 2.002 0.030 . 2 . . . . 41 GLU HB3 . 11206 1 397 . 1 1 41 41 GLU HG2 H 1 2.337 0.030 . 1 . . . . 41 GLU HG2 . 11206 1 398 . 1 1 41 41 GLU HG3 H 1 2.337 0.030 . 1 . . . . 41 GLU HG3 . 11206 1 399 . 1 1 41 41 GLU C C 13 176.637 0.300 . 1 . . . . 41 GLU C . 11206 1 400 . 1 1 41 41 GLU CA C 13 56.448 0.300 . 1 . . . . 41 GLU CA . 11206 1 401 . 1 1 41 41 GLU CB C 13 30.875 0.300 . 1 . . . . 41 GLU CB . 11206 1 402 . 1 1 41 41 GLU CG C 13 36.560 0.300 . 1 . . . . 41 GLU CG . 11206 1 403 . 1 1 41 41 GLU N N 15 120.908 0.300 . 1 . . . . 41 GLU N . 11206 1 404 . 1 1 42 42 THR H H 1 8.295 0.030 . 1 . . . . 42 THR H . 11206 1 405 . 1 1 42 42 THR HA H 1 3.911 0.030 . 1 . . . . 42 THR HA . 11206 1 406 . 1 1 42 42 THR HB H 1 4.012 0.030 . 1 . . . . 42 THR HB . 11206 1 407 . 1 1 42 42 THR HG21 H 1 1.142 0.030 . 1 . . . . 42 THR HG2 . 11206 1 408 . 1 1 42 42 THR HG22 H 1 1.142 0.030 . 1 . . . . 42 THR HG2 . 11206 1 409 . 1 1 42 42 THR HG23 H 1 1.142 0.030 . 1 . . . . 42 THR HG2 . 11206 1 410 . 1 1 42 42 THR C C 13 174.661 0.300 . 1 . . . . 42 THR C . 11206 1 411 . 1 1 42 42 THR CA C 13 63.024 0.300 . 1 . . . . 42 THR CA . 11206 1 412 . 1 1 42 42 THR CB C 13 69.477 0.300 . 1 . . . . 42 THR CB . 11206 1 413 . 1 1 42 42 THR CG2 C 13 22.147 0.300 . 1 . . . . 42 THR CG2 . 11206 1 414 . 1 1 42 42 THR N N 15 116.180 0.300 . 1 . . . . 42 THR N . 11206 1 415 . 1 1 43 43 LEU H H 1 8.518 0.030 . 1 . . . . 43 LEU H . 11206 1 416 . 1 1 43 43 LEU HA H 1 4.314 0.030 . 1 . . . . 43 LEU HA . 11206 1 417 . 1 1 43 43 LEU HB2 H 1 1.914 0.030 . 2 . . . . 43 LEU HB2 . 11206 1 418 . 1 1 43 43 LEU HB3 H 1 1.662 0.030 . 2 . . . . 43 LEU HB3 . 11206 1 419 . 1 1 43 43 LEU HD11 H 1 0.839 0.030 . 1 . . . . 43 LEU HD1 . 11206 1 420 . 1 1 43 43 LEU HD12 H 1 0.839 0.030 . 1 . . . . 43 LEU HD1 . 11206 1 421 . 1 1 43 43 LEU HD13 H 1 0.839 0.030 . 1 . . . . 43 LEU HD1 . 11206 1 422 . 1 1 43 43 LEU HD21 H 1 0.975 0.030 . 1 . . . . 43 LEU HD2 . 11206 1 423 . 1 1 43 43 LEU HD22 H 1 0.975 0.030 . 1 . . . . 43 LEU HD2 . 11206 1 424 . 1 1 43 43 LEU HD23 H 1 0.975 0.030 . 1 . . . . 43 LEU HD2 . 11206 1 425 . 1 1 43 43 LEU HG H 1 1.820 0.030 . 1 . . . . 43 LEU HG . 11206 1 426 . 1 1 43 43 LEU C C 13 176.853 0.300 . 1 . . . . 43 LEU C . 11206 1 427 . 1 1 43 43 LEU CA C 13 55.764 0.300 . 1 . . . . 43 LEU CA . 11206 1 428 . 1 1 43 43 LEU CB C 13 41.897 0.300 . 1 . . . . 43 LEU CB . 11206 1 429 . 1 1 43 43 LEU CD1 C 13 25.685 0.300 . 2 . . . . 43 LEU CD1 . 11206 1 430 . 1 1 43 43 LEU CD2 C 13 23.775 0.300 . 2 . . . . 43 LEU CD2 . 11206 1 431 . 1 1 43 43 LEU CG C 13 27.383 0.300 . 1 . . . . 43 LEU CG . 11206 1 432 . 1 1 43 43 LEU N N 15 126.343 0.300 . 1 . . . . 43 LEU N . 11206 1 433 . 1 1 44 44 SER H H 1 8.422 0.030 . 1 . . . . 44 SER H . 11206 1 434 . 1 1 44 44 SER HA H 1 4.554 0.030 . 1 . . . . 44 SER HA . 11206 1 435 . 1 1 44 44 SER HB2 H 1 3.961 0.030 . 2 . . . . 44 SER HB2 . 11206 1 436 . 1 1 44 44 SER HB3 H 1 3.863 0.030 . 2 . . . . 44 SER HB3 . 11206 1 437 . 1 1 44 44 SER C C 13 173.363 0.300 . 1 . . . . 44 SER C . 11206 1 438 . 1 1 44 44 SER CA C 13 58.249 0.300 . 1 . . . . 44 SER CA . 11206 1 439 . 1 1 44 44 SER CB C 13 63.940 0.300 . 1 . . . . 44 SER CB . 11206 1 440 . 1 1 44 44 SER N N 15 116.733 0.300 . 1 . . . . 44 SER N . 11206 1 441 . 1 1 45 45 SER H H 1 7.880 0.030 . 1 . . . . 45 SER H . 11206 1 442 . 1 1 45 45 SER HA H 1 4.815 0.030 . 1 . . . . 45 SER HA . 11206 1 443 . 1 1 45 45 SER HB2 H 1 3.857 0.030 . 1 . . . . 45 SER HB2 . 11206 1 444 . 1 1 45 45 SER HB3 H 1 3.857 0.030 . 1 . . . . 45 SER HB3 . 11206 1 445 . 1 1 45 45 SER C C 13 171.097 0.300 . 1 . . . . 45 SER C . 11206 1 446 . 1 1 45 45 SER CA C 13 56.427 0.300 . 1 . . . . 45 SER CA . 11206 1 447 . 1 1 45 45 SER CB C 13 63.719 0.300 . 1 . . . . 45 SER CB . 11206 1 448 . 1 1 45 45 SER N N 15 116.363 0.300 . 1 . . . . 45 SER N . 11206 1 449 . 1 1 46 46 PRO HA H 1 4.514 0.030 . 1 . . . . 46 PRO HA . 11206 1 450 . 1 1 46 46 PRO HB2 H 1 2.257 0.030 . 2 . . . . 46 PRO HB2 . 11206 1 451 . 1 1 46 46 PRO HB3 H 1 1.635 0.030 . 2 . . . . 46 PRO HB3 . 11206 1 452 . 1 1 46 46 PRO HD2 H 1 3.807 0.030 . 2 . . . . 46 PRO HD2 . 11206 1 453 . 1 1 46 46 PRO HD3 H 1 3.629 0.030 . 2 . . . . 46 PRO HD3 . 11206 1 454 . 1 1 46 46 PRO HG2 H 1 1.971 0.030 . 2 . . . . 46 PRO HG2 . 11206 1 455 . 1 1 46 46 PRO HG3 H 1 1.906 0.030 . 2 . . . . 46 PRO HG3 . 11206 1 456 . 1 1 46 46 PRO CA C 13 61.801 0.300 . 1 . . . . 46 PRO CA . 11206 1 457 . 1 1 46 46 PRO CB C 13 31.210 0.300 . 1 . . . . 46 PRO CB . 11206 1 458 . 1 1 46 46 PRO CD C 13 50.482 0.300 . 1 . . . . 46 PRO CD . 11206 1 459 . 1 1 46 46 PRO CG C 13 27.700 0.300 . 1 . . . . 46 PRO CG . 11206 1 460 . 1 1 47 47 PRO HA H 1 4.728 0.030 . 1 . . . . 47 PRO HA . 11206 1 461 . 1 1 47 47 PRO HB2 H 1 2.184 0.030 . 2 . . . . 47 PRO HB2 . 11206 1 462 . 1 1 47 47 PRO HB3 H 1 1.768 0.030 . 2 . . . . 47 PRO HB3 . 11206 1 463 . 1 1 47 47 PRO HD2 H 1 3.660 0.030 . 2 . . . . 47 PRO HD2 . 11206 1 464 . 1 1 47 47 PRO HD3 H 1 4.251 0.030 . 2 . . . . 47 PRO HD3 . 11206 1 465 . 1 1 47 47 PRO HG2 H 1 1.970 0.030 . 2 . . . . 47 PRO HG2 . 11206 1 466 . 1 1 47 47 PRO HG3 H 1 1.798 0.030 . 2 . . . . 47 PRO HG3 . 11206 1 467 . 1 1 47 47 PRO C C 13 174.268 0.300 . 1 . . . . 47 PRO C . 11206 1 468 . 1 1 47 47 PRO CA C 13 62.346 0.300 . 1 . . . . 47 PRO CA . 11206 1 469 . 1 1 47 47 PRO CB C 13 33.212 0.300 . 1 . . . . 47 PRO CB . 11206 1 470 . 1 1 47 47 PRO CD C 13 49.678 0.300 . 1 . . . . 47 PRO CD . 11206 1 471 . 1 1 47 47 PRO CG C 13 27.060 0.300 . 1 . . . . 47 PRO CG . 11206 1 472 . 1 1 48 48 LEU H H 1 8.444 0.030 . 1 . . . . 48 LEU H . 11206 1 473 . 1 1 48 48 LEU HA H 1 5.301 0.030 . 1 . . . . 48 LEU HA . 11206 1 474 . 1 1 48 48 LEU HB2 H 1 1.560 0.030 . 2 . . . . 48 LEU HB2 . 11206 1 475 . 1 1 48 48 LEU HB3 H 1 1.282 0.030 . 2 . . . . 48 LEU HB3 . 11206 1 476 . 1 1 48 48 LEU HD11 H 1 0.888 0.030 . 1 . . . . 48 LEU HD1 . 11206 1 477 . 1 1 48 48 LEU HD12 H 1 0.888 0.030 . 1 . . . . 48 LEU HD1 . 11206 1 478 . 1 1 48 48 LEU HD13 H 1 0.888 0.030 . 1 . . . . 48 LEU HD1 . 11206 1 479 . 1 1 48 48 LEU HD21 H 1 0.833 0.030 . 1 . . . . 48 LEU HD2 . 11206 1 480 . 1 1 48 48 LEU HD22 H 1 0.833 0.030 . 1 . . . . 48 LEU HD2 . 11206 1 481 . 1 1 48 48 LEU HD23 H 1 0.833 0.030 . 1 . . . . 48 LEU HD2 . 11206 1 482 . 1 1 48 48 LEU HG H 1 1.737 0.030 . 1 . . . . 48 LEU HG . 11206 1 483 . 1 1 48 48 LEU C C 13 178.437 0.300 . 1 . . . . 48 LEU C . 11206 1 484 . 1 1 48 48 LEU CA C 13 52.659 0.300 . 1 . . . . 48 LEU CA . 11206 1 485 . 1 1 48 48 LEU CB C 13 45.196 0.300 . 1 . . . . 48 LEU CB . 11206 1 486 . 1 1 48 48 LEU CD1 C 13 25.463 0.300 . 2 . . . . 48 LEU CD1 . 11206 1 487 . 1 1 48 48 LEU CD2 C 13 24.941 0.300 . 2 . . . . 48 LEU CD2 . 11206 1 488 . 1 1 48 48 LEU CG C 13 27.404 0.300 . 1 . . . . 48 LEU CG . 11206 1 489 . 1 1 48 48 LEU N N 15 117.436 0.300 . 1 . . . . 48 LEU N . 11206 1 490 . 1 1 49 49 VAL H H 1 8.965 0.030 . 1 . . . . 49 VAL H . 11206 1 491 . 1 1 49 49 VAL HA H 1 4.137 0.030 . 1 . . . . 49 VAL HA . 11206 1 492 . 1 1 49 49 VAL HB H 1 2.337 0.030 . 1 . . . . 49 VAL HB . 11206 1 493 . 1 1 49 49 VAL HG11 H 1 0.783 0.030 . 1 . . . . 49 VAL HG1 . 11206 1 494 . 1 1 49 49 VAL HG12 H 1 0.783 0.030 . 1 . . . . 49 VAL HG1 . 11206 1 495 . 1 1 49 49 VAL HG13 H 1 0.783 0.030 . 1 . . . . 49 VAL HG1 . 11206 1 496 . 1 1 49 49 VAL HG21 H 1 0.849 0.030 . 1 . . . . 49 VAL HG2 . 11206 1 497 . 1 1 49 49 VAL HG22 H 1 0.849 0.030 . 1 . . . . 49 VAL HG2 . 11206 1 498 . 1 1 49 49 VAL HG23 H 1 0.849 0.030 . 1 . . . . 49 VAL HG2 . 11206 1 499 . 1 1 49 49 VAL C C 13 176.627 0.300 . 1 . . . . 49 VAL C . 11206 1 500 . 1 1 49 49 VAL CA C 13 63.602 0.300 . 1 . . . . 49 VAL CA . 11206 1 501 . 1 1 49 49 VAL CB C 13 31.613 0.300 . 1 . . . . 49 VAL CB . 11206 1 502 . 1 1 49 49 VAL CG1 C 13 22.439 0.300 . 2 . . . . 49 VAL CG1 . 11206 1 503 . 1 1 49 49 VAL CG2 C 13 21.751 0.300 . 2 . . . . 49 VAL CG2 . 11206 1 504 . 1 1 49 49 VAL N N 15 120.737 0.300 . 1 . . . . 49 VAL N . 11206 1 505 . 1 1 50 50 CYS H H 1 9.320 0.030 . 1 . . . . 50 CYS H . 11206 1 506 . 1 1 50 50 CYS HA H 1 5.106 0.030 . 1 . . . . 50 CYS HA . 11206 1 507 . 1 1 50 50 CYS HB2 H 1 3.308 0.030 . 2 . . . . 50 CYS HB2 . 11206 1 508 . 1 1 50 50 CYS HB3 H 1 2.514 0.030 . 2 . . . . 50 CYS HB3 . 11206 1 509 . 1 1 50 50 CYS C C 13 173.356 0.300 . 1 . . . . 50 CYS C . 11206 1 510 . 1 1 50 50 CYS CA C 13 57.042 0.300 . 1 . . . . 50 CYS CA . 11206 1 511 . 1 1 50 50 CYS CB C 13 30.223 0.300 . 1 . . . . 50 CYS CB . 11206 1 512 . 1 1 50 50 CYS N N 15 126.838 0.300 . 1 . . . . 50 CYS N . 11206 1 513 . 1 1 51 51 PHE H H 1 7.598 0.030 . 1 . . . . 51 PHE H . 11206 1 514 . 1 1 51 51 PHE HA H 1 4.414 0.030 . 1 . . . . 51 PHE HA . 11206 1 515 . 1 1 51 51 PHE HB2 H 1 3.337 0.030 . 2 . . . . 51 PHE HB2 . 11206 1 516 . 1 1 51 51 PHE HB3 H 1 2.562 0.030 . 2 . . . . 51 PHE HB3 . 11206 1 517 . 1 1 51 51 PHE HD1 H 1 7.137 0.030 . 1 . . . . 51 PHE HD1 . 11206 1 518 . 1 1 51 51 PHE HD2 H 1 7.137 0.030 . 1 . . . . 51 PHE HD2 . 11206 1 519 . 1 1 51 51 PHE HE1 H 1 7.362 0.030 . 1 . . . . 51 PHE HE1 . 11206 1 520 . 1 1 51 51 PHE HE2 H 1 7.362 0.030 . 1 . . . . 51 PHE HE2 . 11206 1 521 . 1 1 51 51 PHE HZ H 1 7.352 0.030 . 1 . . . . 51 PHE HZ . 11206 1 522 . 1 1 51 51 PHE C C 13 172.004 0.300 . 1 . . . . 51 PHE C . 11206 1 523 . 1 1 51 51 PHE CA C 13 59.224 0.300 . 1 . . . . 51 PHE CA . 11206 1 524 . 1 1 51 51 PHE CB C 13 42.694 0.300 . 1 . . . . 51 PHE CB . 11206 1 525 . 1 1 51 51 PHE CD1 C 13 131.584 0.300 . 1 . . . . 51 PHE CD1 . 11206 1 526 . 1 1 51 51 PHE CD2 C 13 131.584 0.300 . 1 . . . . 51 PHE CD2 . 11206 1 527 . 1 1 51 51 PHE CE1 C 13 131.535 0.300 . 1 . . . . 51 PHE CE1 . 11206 1 528 . 1 1 51 51 PHE CE2 C 13 131.535 0.300 . 1 . . . . 51 PHE CE2 . 11206 1 529 . 1 1 51 51 PHE CZ C 13 129.761 0.300 . 1 . . . . 51 PHE CZ . 11206 1 530 . 1 1 51 51 PHE N N 15 123.327 0.300 . 1 . . . . 51 PHE N . 11206 1 531 . 1 1 52 52 ILE H H 1 7.509 0.030 . 1 . . . . 52 ILE H . 11206 1 532 . 1 1 52 52 ILE HA H 1 4.449 0.030 . 1 . . . . 52 ILE HA . 11206 1 533 . 1 1 52 52 ILE HB H 1 1.357 0.030 . 1 . . . . 52 ILE HB . 11206 1 534 . 1 1 52 52 ILE HD11 H 1 0.522 0.030 . 1 . . . . 52 ILE HD1 . 11206 1 535 . 1 1 52 52 ILE HD12 H 1 0.522 0.030 . 1 . . . . 52 ILE HD1 . 11206 1 536 . 1 1 52 52 ILE HD13 H 1 0.522 0.030 . 1 . . . . 52 ILE HD1 . 11206 1 537 . 1 1 52 52 ILE HG12 H 1 0.573 0.030 . 2 . . . . 52 ILE HG12 . 11206 1 538 . 1 1 52 52 ILE HG13 H 1 1.208 0.030 . 2 . . . . 52 ILE HG13 . 11206 1 539 . 1 1 52 52 ILE HG21 H 1 0.517 0.030 . 1 . . . . 52 ILE HG2 . 11206 1 540 . 1 1 52 52 ILE HG22 H 1 0.517 0.030 . 1 . . . . 52 ILE HG2 . 11206 1 541 . 1 1 52 52 ILE HG23 H 1 0.517 0.030 . 1 . . . . 52 ILE HG2 . 11206 1 542 . 1 1 52 52 ILE C C 13 174.435 0.300 . 1 . . . . 52 ILE C . 11206 1 543 . 1 1 52 52 ILE CA C 13 59.192 0.300 . 1 . . . . 52 ILE CA . 11206 1 544 . 1 1 52 52 ILE CB C 13 39.873 0.300 . 1 . . . . 52 ILE CB . 11206 1 545 . 1 1 52 52 ILE CD1 C 13 13.640 0.300 . 1 . . . . 52 ILE CD1 . 11206 1 546 . 1 1 52 52 ILE CG1 C 13 27.868 0.300 . 1 . . . . 52 ILE CG1 . 11206 1 547 . 1 1 52 52 ILE CG2 C 13 17.090 0.300 . 1 . . . . 52 ILE CG2 . 11206 1 548 . 1 1 52 52 ILE N N 15 126.540 0.300 . 1 . . . . 52 ILE N . 11206 1 549 . 1 1 53 53 GLU H H 1 9.059 0.030 . 1 . . . . 53 GLU H . 11206 1 550 . 1 1 53 53 GLU HA H 1 4.180 0.030 . 1 . . . . 53 GLU HA . 11206 1 551 . 1 1 53 53 GLU HB2 H 1 1.993 0.030 . 2 . . . . 53 GLU HB2 . 11206 1 552 . 1 1 53 53 GLU HB3 H 1 1.959 0.030 . 2 . . . . 53 GLU HB3 . 11206 1 553 . 1 1 53 53 GLU HG2 H 1 2.470 0.030 . 2 . . . . 53 GLU HG2 . 11206 1 554 . 1 1 53 53 GLU HG3 H 1 2.415 0.030 . 2 . . . . 53 GLU HG3 . 11206 1 555 . 1 1 53 53 GLU C C 13 174.898 0.300 . 1 . . . . 53 GLU C . 11206 1 556 . 1 1 53 53 GLU CA C 13 54.165 0.300 . 1 . . . . 53 GLU CA . 11206 1 557 . 1 1 53 53 GLU CB C 13 30.271 0.300 . 1 . . . . 53 GLU CB . 11206 1 558 . 1 1 53 53 GLU CG C 13 35.551 0.300 . 1 . . . . 53 GLU CG . 11206 1 559 . 1 1 53 53 GLU N N 15 128.941 0.300 . 1 . . . . 53 GLU N . 11206 1 560 . 1 1 54 54 PRO HA H 1 4.388 0.030 . 1 . . . . 54 PRO HA . 11206 1 561 . 1 1 54 54 PRO HB2 H 1 2.346 0.030 . 2 . . . . 54 PRO HB2 . 11206 1 562 . 1 1 54 54 PRO HB3 H 1 1.879 0.030 . 2 . . . . 54 PRO HB3 . 11206 1 563 . 1 1 54 54 PRO HD2 H 1 3.803 0.030 . 2 . . . . 54 PRO HD2 . 11206 1 564 . 1 1 54 54 PRO HD3 H 1 3.911 0.030 . 2 . . . . 54 PRO HD3 . 11206 1 565 . 1 1 54 54 PRO HG2 H 1 2.177 0.030 . 2 . . . . 54 PRO HG2 . 11206 1 566 . 1 1 54 54 PRO HG3 H 1 2.033 0.030 . 2 . . . . 54 PRO HG3 . 11206 1 567 . 1 1 54 54 PRO C C 13 176.908 0.300 . 1 . . . . 54 PRO C . 11206 1 568 . 1 1 54 54 PRO CA C 13 63.704 0.300 . 1 . . . . 54 PRO CA . 11206 1 569 . 1 1 54 54 PRO CB C 13 31.902 0.300 . 1 . . . . 54 PRO CB . 11206 1 570 . 1 1 54 54 PRO CD C 13 51.117 0.300 . 1 . . . . 54 PRO CD . 11206 1 571 . 1 1 54 54 PRO CG C 13 27.800 0.300 . 1 . . . . 54 PRO CG . 11206 1 572 . 1 1 55 55 ASP H H 1 9.379 0.030 . 1 . . . . 55 ASP H . 11206 1 573 . 1 1 55 55 ASP HA H 1 4.283 0.030 . 1 . . . . 55 ASP HA . 11206 1 574 . 1 1 55 55 ASP HB2 H 1 2.987 0.030 . 2 . . . . 55 ASP HB2 . 11206 1 575 . 1 1 55 55 ASP HB3 H 1 2.703 0.030 . 2 . . . . 55 ASP HB3 . 11206 1 576 . 1 1 55 55 ASP C C 13 173.906 0.300 . 1 . . . . 55 ASP C . 11206 1 577 . 1 1 55 55 ASP CA C 13 55.854 0.300 . 1 . . . . 55 ASP CA . 11206 1 578 . 1 1 55 55 ASP CB C 13 39.968 0.300 . 1 . . . . 55 ASP CB . 11206 1 579 . 1 1 55 55 ASP N N 15 119.427 0.300 . 1 . . . . 55 ASP N . 11206 1 580 . 1 1 56 56 SER H H 1 7.420 0.030 . 1 . . . . 56 SER H . 11206 1 581 . 1 1 56 56 SER HA H 1 4.840 0.030 . 1 . . . . 56 SER HA . 11206 1 582 . 1 1 56 56 SER HB2 H 1 4.237 0.030 . 2 . . . . 56 SER HB2 . 11206 1 583 . 1 1 56 56 SER HB3 H 1 3.681 0.030 . 2 . . . . 56 SER HB3 . 11206 1 584 . 1 1 56 56 SER C C 13 173.686 0.300 . 1 . . . . 56 SER C . 11206 1 585 . 1 1 56 56 SER CA C 13 56.913 0.300 . 1 . . . . 56 SER CA . 11206 1 586 . 1 1 56 56 SER CB C 13 64.534 0.300 . 1 . . . . 56 SER CB . 11206 1 587 . 1 1 56 56 SER N N 15 113.141 0.300 . 1 . . . . 56 SER N . 11206 1 588 . 1 1 57 57 PRO HA H 1 4.304 0.030 . 1 . . . . 57 PRO HA . 11206 1 589 . 1 1 57 57 PRO HB2 H 1 2.834 0.030 . 2 . . . . 57 PRO HB2 . 11206 1 590 . 1 1 57 57 PRO HB3 H 1 2.236 0.030 . 2 . . . . 57 PRO HB3 . 11206 1 591 . 1 1 57 57 PRO HD2 H 1 3.963 0.030 . 2 . . . . 57 PRO HD2 . 11206 1 592 . 1 1 57 57 PRO HD3 H 1 3.692 0.030 . 2 . . . . 57 PRO HD3 . 11206 1 593 . 1 1 57 57 PRO HG2 H 1 2.574 0.030 . 2 . . . . 57 PRO HG2 . 11206 1 594 . 1 1 57 57 PRO HG3 H 1 2.230 0.030 . 2 . . . . 57 PRO HG3 . 11206 1 595 . 1 1 57 57 PRO C C 13 179.292 0.300 . 1 . . . . 57 PRO C . 11206 1 596 . 1 1 57 57 PRO CA C 13 66.108 0.300 . 1 . . . . 57 PRO CA . 11206 1 597 . 1 1 57 57 PRO CB C 13 32.684 0.300 . 1 . . . . 57 PRO CB . 11206 1 598 . 1 1 57 57 PRO CD C 13 50.561 0.300 . 1 . . . . 57 PRO CD . 11206 1 599 . 1 1 57 57 PRO CG C 13 29.357 0.300 . 1 . . . . 57 PRO CG . 11206 1 600 . 1 1 58 58 ALA H H 1 8.077 0.030 . 1 . . . . 58 ALA H . 11206 1 601 . 1 1 58 58 ALA HA H 1 4.031 0.030 . 1 . . . . 58 ALA HA . 11206 1 602 . 1 1 58 58 ALA HB1 H 1 1.310 0.030 . 1 . . . . 58 ALA HB . 11206 1 603 . 1 1 58 58 ALA HB2 H 1 1.310 0.030 . 1 . . . . 58 ALA HB . 11206 1 604 . 1 1 58 58 ALA HB3 H 1 1.310 0.030 . 1 . . . . 58 ALA HB . 11206 1 605 . 1 1 58 58 ALA C C 13 178.100 0.300 . 1 . . . . 58 ALA C . 11206 1 606 . 1 1 58 58 ALA CA C 13 55.043 0.300 . 1 . . . . 58 ALA CA . 11206 1 607 . 1 1 58 58 ALA CB C 13 18.930 0.300 . 1 . . . . 58 ALA CB . 11206 1 608 . 1 1 58 58 ALA N N 15 116.778 0.300 . 1 . . . . 58 ALA N . 11206 1 609 . 1 1 59 59 GLU H H 1 7.704 0.030 . 1 . . . . 59 GLU H . 11206 1 610 . 1 1 59 59 GLU HA H 1 3.873 0.030 . 1 . . . . 59 GLU HA . 11206 1 611 . 1 1 59 59 GLU HB2 H 1 2.222 0.030 . 2 . . . . 59 GLU HB2 . 11206 1 612 . 1 1 59 59 GLU HB3 H 1 2.074 0.030 . 2 . . . . 59 GLU HB3 . 11206 1 613 . 1 1 59 59 GLU HG2 H 1 2.185 0.030 . 1 . . . . 59 GLU HG2 . 11206 1 614 . 1 1 59 59 GLU HG3 H 1 2.185 0.030 . 1 . . . . 59 GLU HG3 . 11206 1 615 . 1 1 59 59 GLU C C 13 178.709 0.300 . 1 . . . . 59 GLU C . 11206 1 616 . 1 1 59 59 GLU CA C 13 59.575 0.300 . 1 . . . . 59 GLU CA . 11206 1 617 . 1 1 59 59 GLU CB C 13 30.465 0.300 . 1 . . . . 59 GLU CB . 11206 1 618 . 1 1 59 59 GLU CG C 13 37.749 0.300 . 1 . . . . 59 GLU CG . 11206 1 619 . 1 1 59 59 GLU N N 15 120.212 0.300 . 1 . . . . 59 GLU N . 11206 1 620 . 1 1 60 60 ARG H H 1 8.620 0.030 . 1 . . . . 60 ARG H . 11206 1 621 . 1 1 60 60 ARG HA H 1 4.029 0.030 . 1 . . . . 60 ARG HA . 11206 1 622 . 1 1 60 60 ARG HB2 H 1 1.889 0.030 . 2 . . . . 60 ARG HB2 . 11206 1 623 . 1 1 60 60 ARG HB3 H 1 1.795 0.030 . 2 . . . . 60 ARG HB3 . 11206 1 624 . 1 1 60 60 ARG HD2 H 1 3.047 0.030 . 2 . . . . 60 ARG HD2 . 11206 1 625 . 1 1 60 60 ARG HD3 H 1 3.203 0.030 . 2 . . . . 60 ARG HD3 . 11206 1 626 . 1 1 60 60 ARG HE H 1 7.102 0.030 . 1 . . . . 60 ARG HE . 11206 1 627 . 1 1 60 60 ARG HG2 H 1 1.763 0.030 . 2 . . . . 60 ARG HG2 . 11206 1 628 . 1 1 60 60 ARG HG3 H 1 1.675 0.030 . 2 . . . . 60 ARG HG3 . 11206 1 629 . 1 1 60 60 ARG C C 13 178.633 0.300 . 1 . . . . 60 ARG C . 11206 1 630 . 1 1 60 60 ARG CA C 13 58.722 0.300 . 1 . . . . 60 ARG CA . 11206 1 631 . 1 1 60 60 ARG CB C 13 31.002 0.300 . 1 . . . . 60 ARG CB . 11206 1 632 . 1 1 60 60 ARG CD C 13 43.598 0.300 . 1 . . . . 60 ARG CD . 11206 1 633 . 1 1 60 60 ARG CG C 13 28.574 0.300 . 1 . . . . 60 ARG CG . 11206 1 634 . 1 1 60 60 ARG N N 15 116.618 0.300 . 1 . . . . 60 ARG N . 11206 1 635 . 1 1 60 60 ARG NE N 15 84.629 0.300 . 1 . . . . 60 ARG NE . 11206 1 636 . 1 1 61 61 CYS H H 1 7.586 0.030 . 1 . . . . 61 CYS H . 11206 1 637 . 1 1 61 61 CYS HA H 1 4.572 0.030 . 1 . . . . 61 CYS HA . 11206 1 638 . 1 1 61 61 CYS HB2 H 1 3.152 0.030 . 2 . . . . 61 CYS HB2 . 11206 1 639 . 1 1 61 61 CYS HB3 H 1 3.042 0.030 . 2 . . . . 61 CYS HB3 . 11206 1 640 . 1 1 61 61 CYS C C 13 175.537 0.300 . 1 . . . . 61 CYS C . 11206 1 641 . 1 1 61 61 CYS CA C 13 59.464 0.300 . 1 . . . . 61 CYS CA . 11206 1 642 . 1 1 61 61 CYS CB C 13 27.609 0.300 . 1 . . . . 61 CYS CB . 11206 1 643 . 1 1 61 61 CYS N N 15 112.628 0.300 . 1 . . . . 61 CYS N . 11206 1 644 . 1 1 62 62 GLY H H 1 7.368 0.030 . 1 . . . . 62 GLY H . 11206 1 645 . 1 1 62 62 GLY HA2 H 1 4.052 0.030 . 2 . . . . 62 GLY HA2 . 11206 1 646 . 1 1 62 62 GLY HA3 H 1 3.986 0.030 . 2 . . . . 62 GLY HA3 . 11206 1 647 . 1 1 62 62 GLY C C 13 174.254 0.300 . 1 . . . . 62 GLY C . 11206 1 648 . 1 1 62 62 GLY CA C 13 46.976 0.300 . 1 . . . . 62 GLY CA . 11206 1 649 . 1 1 62 62 GLY N N 15 109.816 0.300 . 1 . . . . 62 GLY N . 11206 1 650 . 1 1 63 63 LEU H H 1 7.713 0.030 . 1 . . . . 63 LEU H . 11206 1 651 . 1 1 63 63 LEU HA H 1 4.399 0.030 . 1 . . . . 63 LEU HA . 11206 1 652 . 1 1 63 63 LEU HB2 H 1 1.633 0.030 . 2 . . . . 63 LEU HB2 . 11206 1 653 . 1 1 63 63 LEU HB3 H 1 1.504 0.030 . 2 . . . . 63 LEU HB3 . 11206 1 654 . 1 1 63 63 LEU HD11 H 1 0.961 0.030 . 1 . . . . 63 LEU HD1 . 11206 1 655 . 1 1 63 63 LEU HD12 H 1 0.961 0.030 . 1 . . . . 63 LEU HD1 . 11206 1 656 . 1 1 63 63 LEU HD13 H 1 0.961 0.030 . 1 . . . . 63 LEU HD1 . 11206 1 657 . 1 1 63 63 LEU HD21 H 1 0.826 0.030 . 1 . . . . 63 LEU HD2 . 11206 1 658 . 1 1 63 63 LEU HD22 H 1 0.826 0.030 . 1 . . . . 63 LEU HD2 . 11206 1 659 . 1 1 63 63 LEU HD23 H 1 0.826 0.030 . 1 . . . . 63 LEU HD2 . 11206 1 660 . 1 1 63 63 LEU HG H 1 1.625 0.030 . 1 . . . . 63 LEU HG . 11206 1 661 . 1 1 63 63 LEU C C 13 175.373 0.300 . 1 . . . . 63 LEU C . 11206 1 662 . 1 1 63 63 LEU CA C 13 54.854 0.300 . 1 . . . . 63 LEU CA . 11206 1 663 . 1 1 63 63 LEU CB C 13 45.217 0.300 . 1 . . . . 63 LEU CB . 11206 1 664 . 1 1 63 63 LEU CD1 C 13 26.325 0.300 . 2 . . . . 63 LEU CD1 . 11206 1 665 . 1 1 63 63 LEU CD2 C 13 22.567 0.300 . 2 . . . . 63 LEU CD2 . 11206 1 666 . 1 1 63 63 LEU CG C 13 26.505 0.300 . 1 . . . . 63 LEU CG . 11206 1 667 . 1 1 63 63 LEU N N 15 119.735 0.300 . 1 . . . . 63 LEU N . 11206 1 668 . 1 1 64 64 LEU H H 1 7.893 0.030 . 1 . . . . 64 LEU H . 11206 1 669 . 1 1 64 64 LEU HA H 1 4.906 0.030 . 1 . . . . 64 LEU HA . 11206 1 670 . 1 1 64 64 LEU HB2 H 1 1.535 0.030 . 2 . . . . 64 LEU HB2 . 11206 1 671 . 1 1 64 64 LEU HB3 H 1 1.113 0.030 . 2 . . . . 64 LEU HB3 . 11206 1 672 . 1 1 64 64 LEU HD11 H 1 0.807 0.030 . 1 . . . . 64 LEU HD1 . 11206 1 673 . 1 1 64 64 LEU HD12 H 1 0.807 0.030 . 1 . . . . 64 LEU HD1 . 11206 1 674 . 1 1 64 64 LEU HD13 H 1 0.807 0.030 . 1 . . . . 64 LEU HD1 . 11206 1 675 . 1 1 64 64 LEU HD21 H 1 0.859 0.030 . 1 . . . . 64 LEU HD2 . 11206 1 676 . 1 1 64 64 LEU HD22 H 1 0.859 0.030 . 1 . . . . 64 LEU HD2 . 11206 1 677 . 1 1 64 64 LEU HD23 H 1 0.859 0.030 . 1 . . . . 64 LEU HD2 . 11206 1 678 . 1 1 64 64 LEU HG H 1 1.481 0.030 . 1 . . . . 64 LEU HG . 11206 1 679 . 1 1 64 64 LEU C C 13 175.369 0.300 . 1 . . . . 64 LEU C . 11206 1 680 . 1 1 64 64 LEU CA C 13 53.283 0.300 . 1 . . . . 64 LEU CA . 11206 1 681 . 1 1 64 64 LEU CB C 13 46.797 0.300 . 1 . . . . 64 LEU CB . 11206 1 682 . 1 1 64 64 LEU CD1 C 13 26.869 0.300 . 2 . . . . 64 LEU CD1 . 11206 1 683 . 1 1 64 64 LEU CD2 C 13 25.201 0.300 . 2 . . . . 64 LEU CD2 . 11206 1 684 . 1 1 64 64 LEU CG C 13 26.907 0.300 . 1 . . . . 64 LEU CG . 11206 1 685 . 1 1 64 64 LEU N N 15 117.867 0.300 . 1 . . . . 64 LEU N . 11206 1 686 . 1 1 65 65 GLN H H 1 9.152 0.030 . 1 . . . . 65 GLN H . 11206 1 687 . 1 1 65 65 GLN HA H 1 4.430 0.030 . 1 . . . . 65 GLN HA . 11206 1 688 . 1 1 65 65 GLN HB2 H 1 1.969 0.030 . 2 . . . . 65 GLN HB2 . 11206 1 689 . 1 1 65 65 GLN HB3 H 1 1.915 0.030 . 2 . . . . 65 GLN HB3 . 11206 1 690 . 1 1 65 65 GLN HE21 H 1 7.902 0.030 . 2 . . . . 65 GLN HE21 . 11206 1 691 . 1 1 65 65 GLN HE22 H 1 6.653 0.030 . 2 . . . . 65 GLN HE22 . 11206 1 692 . 1 1 65 65 GLN HG2 H 1 2.299 0.030 . 2 . . . . 65 GLN HG2 . 11206 1 693 . 1 1 65 65 GLN HG3 H 1 2.252 0.030 . 2 . . . . 65 GLN HG3 . 11206 1 694 . 1 1 65 65 GLN C C 13 175.069 0.300 . 1 . . . . 65 GLN C . 11206 1 695 . 1 1 65 65 GLN CA C 13 53.660 0.300 . 1 . . . . 65 GLN CA . 11206 1 696 . 1 1 65 65 GLN CB C 13 32.436 0.300 . 1 . . . . 65 GLN CB . 11206 1 697 . 1 1 65 65 GLN CG C 13 33.442 0.300 . 1 . . . . 65 GLN CG . 11206 1 698 . 1 1 65 65 GLN N N 15 121.339 0.300 . 1 . . . . 65 GLN N . 11206 1 699 . 1 1 65 65 GLN NE2 N 15 113.084 0.300 . 1 . . . . 65 GLN NE2 . 11206 1 700 . 1 1 66 66 VAL H H 1 8.483 0.030 . 1 . . . . 66 VAL H . 11206 1 701 . 1 1 66 66 VAL HA H 1 3.394 0.030 . 1 . . . . 66 VAL HA . 11206 1 702 . 1 1 66 66 VAL HB H 1 1.887 0.030 . 1 . . . . 66 VAL HB . 11206 1 703 . 1 1 66 66 VAL HG11 H 1 0.948 0.030 . 1 . . . . 66 VAL HG1 . 11206 1 704 . 1 1 66 66 VAL HG12 H 1 0.948 0.030 . 1 . . . . 66 VAL HG1 . 11206 1 705 . 1 1 66 66 VAL HG13 H 1 0.948 0.030 . 1 . . . . 66 VAL HG1 . 11206 1 706 . 1 1 66 66 VAL HG21 H 1 0.848 0.030 . 1 . . . . 66 VAL HG2 . 11206 1 707 . 1 1 66 66 VAL HG22 H 1 0.848 0.030 . 1 . . . . 66 VAL HG2 . 11206 1 708 . 1 1 66 66 VAL HG23 H 1 0.848 0.030 . 1 . . . . 66 VAL HG2 . 11206 1 709 . 1 1 66 66 VAL C C 13 177.430 0.300 . 1 . . . . 66 VAL C . 11206 1 710 . 1 1 66 66 VAL CA C 13 65.229 0.300 . 1 . . . . 66 VAL CA . 11206 1 711 . 1 1 66 66 VAL CB C 13 31.267 0.300 . 1 . . . . 66 VAL CB . 11206 1 712 . 1 1 66 66 VAL CG1 C 13 21.100 0.300 . 2 . . . . 66 VAL CG1 . 11206 1 713 . 1 1 66 66 VAL CG2 C 13 22.489 0.300 . 2 . . . . 66 VAL CG2 . 11206 1 714 . 1 1 66 66 VAL N N 15 121.452 0.300 . 1 . . . . 66 VAL N . 11206 1 715 . 1 1 67 67 GLY H H 1 9.191 0.030 . 1 . . . . 67 GLY H . 11206 1 716 . 1 1 67 67 GLY HA2 H 1 4.641 0.030 . 2 . . . . 67 GLY HA2 . 11206 1 717 . 1 1 67 67 GLY HA3 H 1 3.530 0.030 . 2 . . . . 67 GLY HA3 . 11206 1 718 . 1 1 67 67 GLY C C 13 174.327 0.300 . 1 . . . . 67 GLY C . 11206 1 719 . 1 1 67 67 GLY CA C 13 44.643 0.300 . 1 . . . . 67 GLY CA . 11206 1 720 . 1 1 67 67 GLY N N 15 116.398 0.300 . 1 . . . . 67 GLY N . 11206 1 721 . 1 1 68 68 ASP H H 1 7.978 0.030 . 1 . . . . 68 ASP H . 11206 1 722 . 1 1 68 68 ASP HA H 1 4.740 0.030 . 1 . . . . 68 ASP HA . 11206 1 723 . 1 1 68 68 ASP HB2 H 1 2.647 0.030 . 2 . . . . 68 ASP HB2 . 11206 1 724 . 1 1 68 68 ASP HB3 H 1 2.570 0.030 . 2 . . . . 68 ASP HB3 . 11206 1 725 . 1 1 68 68 ASP C C 13 175.467 0.300 . 1 . . . . 68 ASP C . 11206 1 726 . 1 1 68 68 ASP CA C 13 56.166 0.300 . 1 . . . . 68 ASP CA . 11206 1 727 . 1 1 68 68 ASP CB C 13 40.810 0.300 . 1 . . . . 68 ASP CB . 11206 1 728 . 1 1 68 68 ASP N N 15 122.692 0.300 . 1 . . . . 68 ASP N . 11206 1 729 . 1 1 69 69 ARG H H 1 8.828 0.030 . 1 . . . . 69 ARG H . 11206 1 730 . 1 1 69 69 ARG HA H 1 4.986 0.030 . 1 . . . . 69 ARG HA . 11206 1 731 . 1 1 69 69 ARG HB2 H 1 2.060 0.030 . 2 . . . . 69 ARG HB2 . 11206 1 732 . 1 1 69 69 ARG HB3 H 1 1.436 0.030 . 2 . . . . 69 ARG HB3 . 11206 1 733 . 1 1 69 69 ARG HD2 H 1 3.150 0.030 . 2 . . . . 69 ARG HD2 . 11206 1 734 . 1 1 69 69 ARG HD3 H 1 3.429 0.030 . 2 . . . . 69 ARG HD3 . 11206 1 735 . 1 1 69 69 ARG HE H 1 7.234 0.030 . 1 . . . . 69 ARG HE . 11206 1 736 . 1 1 69 69 ARG HG2 H 1 1.750 0.030 . 2 . . . . 69 ARG HG2 . 11206 1 737 . 1 1 69 69 ARG HG3 H 1 1.720 0.030 . 2 . . . . 69 ARG HG3 . 11206 1 738 . 1 1 69 69 ARG C C 13 176.230 0.300 . 1 . . . . 69 ARG C . 11206 1 739 . 1 1 69 69 ARG CA C 13 56.023 0.300 . 1 . . . . 69 ARG CA . 11206 1 740 . 1 1 69 69 ARG CB C 13 31.406 0.300 . 1 . . . . 69 ARG CB . 11206 1 741 . 1 1 69 69 ARG CD C 13 42.593 0.300 . 1 . . . . 69 ARG CD . 11206 1 742 . 1 1 69 69 ARG CG C 13 28.840 0.300 . 1 . . . . 69 ARG CG . 11206 1 743 . 1 1 69 69 ARG N N 15 119.638 0.300 . 1 . . . . 69 ARG N . 11206 1 744 . 1 1 69 69 ARG NE N 15 83.488 0.300 . 1 . . . . 69 ARG NE . 11206 1 745 . 1 1 70 70 VAL H H 1 8.382 0.030 . 1 . . . . 70 VAL H . 11206 1 746 . 1 1 70 70 VAL HA H 1 4.362 0.030 . 1 . . . . 70 VAL HA . 11206 1 747 . 1 1 70 70 VAL HB H 1 1.825 0.030 . 1 . . . . 70 VAL HB . 11206 1 748 . 1 1 70 70 VAL HG11 H 1 0.772 0.030 . 1 . . . . 70 VAL HG1 . 11206 1 749 . 1 1 70 70 VAL HG12 H 1 0.772 0.030 . 1 . . . . 70 VAL HG1 . 11206 1 750 . 1 1 70 70 VAL HG13 H 1 0.772 0.030 . 1 . . . . 70 VAL HG1 . 11206 1 751 . 1 1 70 70 VAL HG21 H 1 0.761 0.030 . 1 . . . . 70 VAL HG2 . 11206 1 752 . 1 1 70 70 VAL HG22 H 1 0.761 0.030 . 1 . . . . 70 VAL HG2 . 11206 1 753 . 1 1 70 70 VAL HG23 H 1 0.761 0.030 . 1 . . . . 70 VAL HG2 . 11206 1 754 . 1 1 70 70 VAL C C 13 174.655 0.300 . 1 . . . . 70 VAL C . 11206 1 755 . 1 1 70 70 VAL CA C 13 62.182 0.300 . 1 . . . . 70 VAL CA . 11206 1 756 . 1 1 70 70 VAL CB C 13 32.207 0.300 . 1 . . . . 70 VAL CB . 11206 1 757 . 1 1 70 70 VAL CG1 C 13 22.650 0.300 . 2 . . . . 70 VAL CG1 . 11206 1 758 . 1 1 70 70 VAL CG2 C 13 21.640 0.300 . 2 . . . . 70 VAL CG2 . 11206 1 759 . 1 1 70 70 VAL N N 15 120.537 0.300 . 1 . . . . 70 VAL N . 11206 1 760 . 1 1 71 71 LEU H H 1 9.095 0.030 . 1 . . . . 71 LEU H . 11206 1 761 . 1 1 71 71 LEU HA H 1 4.129 0.030 . 1 . . . . 71 LEU HA . 11206 1 762 . 1 1 71 71 LEU HB2 H 1 1.611 0.030 . 2 . . . . 71 LEU HB2 . 11206 1 763 . 1 1 71 71 LEU HB3 H 1 1.508 0.030 . 2 . . . . 71 LEU HB3 . 11206 1 764 . 1 1 71 71 LEU HD11 H 1 0.809 0.030 . 1 . . . . 71 LEU HD1 . 11206 1 765 . 1 1 71 71 LEU HD12 H 1 0.809 0.030 . 1 . . . . 71 LEU HD1 . 11206 1 766 . 1 1 71 71 LEU HD13 H 1 0.809 0.030 . 1 . . . . 71 LEU HD1 . 11206 1 767 . 1 1 71 71 LEU HD21 H 1 0.730 0.030 . 1 . . . . 71 LEU HD2 . 11206 1 768 . 1 1 71 71 LEU HD22 H 1 0.730 0.030 . 1 . . . . 71 LEU HD2 . 11206 1 769 . 1 1 71 71 LEU HD23 H 1 0.730 0.030 . 1 . . . . 71 LEU HD2 . 11206 1 770 . 1 1 71 71 LEU HG H 1 1.556 0.030 . 1 . . . . 71 LEU HG . 11206 1 771 . 1 1 71 71 LEU C C 13 178.394 0.300 . 1 . . . . 71 LEU C . 11206 1 772 . 1 1 71 71 LEU CA C 13 56.597 0.300 . 1 . . . . 71 LEU CA . 11206 1 773 . 1 1 71 71 LEU CB C 13 42.589 0.300 . 1 . . . . 71 LEU CB . 11206 1 774 . 1 1 71 71 LEU CD1 C 13 25.697 0.300 . 2 . . . . 71 LEU CD1 . 11206 1 775 . 1 1 71 71 LEU CD2 C 13 22.876 0.300 . 2 . . . . 71 LEU CD2 . 11206 1 776 . 1 1 71 71 LEU CG C 13 27.844 0.300 . 1 . . . . 71 LEU CG . 11206 1 777 . 1 1 71 71 LEU N N 15 128.411 0.300 . 1 . . . . 71 LEU N . 11206 1 778 . 1 1 72 72 SER H H 1 7.691 0.030 . 1 . . . . 72 SER H . 11206 1 779 . 1 1 72 72 SER HA H 1 5.178 0.030 . 1 . . . . 72 SER HA . 11206 1 780 . 1 1 72 72 SER HB2 H 1 3.821 0.030 . 2 . . . . 72 SER HB2 . 11206 1 781 . 1 1 72 72 SER HB3 H 1 3.328 0.030 . 2 . . . . 72 SER HB3 . 11206 1 782 . 1 1 72 72 SER C C 13 172.253 0.300 . 1 . . . . 72 SER C . 11206 1 783 . 1 1 72 72 SER CA C 13 57.735 0.300 . 1 . . . . 72 SER CA . 11206 1 784 . 1 1 72 72 SER CB C 13 65.030 0.300 . 1 . . . . 72 SER CB . 11206 1 785 . 1 1 72 72 SER N N 15 111.132 0.300 . 1 . . . . 72 SER N . 11206 1 786 . 1 1 73 73 ILE H H 1 8.534 0.030 . 1 . . . . 73 ILE H . 11206 1 787 . 1 1 73 73 ILE HA H 1 4.235 0.030 . 1 . . . . 73 ILE HA . 11206 1 788 . 1 1 73 73 ILE HB H 1 1.670 0.030 . 1 . . . . 73 ILE HB . 11206 1 789 . 1 1 73 73 ILE HD11 H 1 0.751 0.030 . 1 . . . . 73 ILE HD1 . 11206 1 790 . 1 1 73 73 ILE HD12 H 1 0.751 0.030 . 1 . . . . 73 ILE HD1 . 11206 1 791 . 1 1 73 73 ILE HD13 H 1 0.751 0.030 . 1 . . . . 73 ILE HD1 . 11206 1 792 . 1 1 73 73 ILE HG12 H 1 1.245 0.030 . 2 . . . . 73 ILE HG12 . 11206 1 793 . 1 1 73 73 ILE HG13 H 1 0.592 0.030 . 2 . . . . 73 ILE HG13 . 11206 1 794 . 1 1 73 73 ILE HG21 H 1 0.554 0.030 . 1 . . . . 73 ILE HG2 . 11206 1 795 . 1 1 73 73 ILE HG22 H 1 0.554 0.030 . 1 . . . . 73 ILE HG2 . 11206 1 796 . 1 1 73 73 ILE HG23 H 1 0.554 0.030 . 1 . . . . 73 ILE HG2 . 11206 1 797 . 1 1 73 73 ILE C C 13 174.743 0.300 . 1 . . . . 73 ILE C . 11206 1 798 . 1 1 73 73 ILE CA C 13 60.779 0.300 . 1 . . . . 73 ILE CA . 11206 1 799 . 1 1 73 73 ILE CB C 13 40.381 0.300 . 1 . . . . 73 ILE CB . 11206 1 800 . 1 1 73 73 ILE CD1 C 13 14.581 0.300 . 1 . . . . 73 ILE CD1 . 11206 1 801 . 1 1 73 73 ILE CG1 C 13 27.368 0.300 . 1 . . . . 73 ILE CG1 . 11206 1 802 . 1 1 73 73 ILE CG2 C 13 17.497 0.300 . 1 . . . . 73 ILE CG2 . 11206 1 803 . 1 1 73 73 ILE N N 15 120.612 0.300 . 1 . . . . 73 ILE N . 11206 1 804 . 1 1 74 74 ASN H H 1 9.765 0.030 . 1 . . . . 74 ASN H . 11206 1 805 . 1 1 74 74 ASN HA H 1 4.430 0.030 . 1 . . . . 74 ASN HA . 11206 1 806 . 1 1 74 74 ASN HB2 H 1 3.235 0.030 . 2 . . . . 74 ASN HB2 . 11206 1 807 . 1 1 74 74 ASN HB3 H 1 2.918 0.030 . 2 . . . . 74 ASN HB3 . 11206 1 808 . 1 1 74 74 ASN HD21 H 1 7.978 0.030 . 2 . . . . 74 ASN HD21 . 11206 1 809 . 1 1 74 74 ASN HD22 H 1 6.760 0.030 . 2 . . . . 74 ASN HD22 . 11206 1 810 . 1 1 74 74 ASN C C 13 175.177 0.300 . 1 . . . . 74 ASN C . 11206 1 811 . 1 1 74 74 ASN CA C 13 53.688 0.300 . 1 . . . . 74 ASN CA . 11206 1 812 . 1 1 74 74 ASN CB C 13 36.638 0.300 . 1 . . . . 74 ASN CB . 11206 1 813 . 1 1 74 74 ASN N N 15 125.750 0.300 . 1 . . . . 74 ASN N . 11206 1 814 . 1 1 74 74 ASN ND2 N 15 111.846 0.300 . 1 . . . . 74 ASN ND2 . 11206 1 815 . 1 1 75 75 GLY H H 1 8.968 0.030 . 1 . . . . 75 GLY H . 11206 1 816 . 1 1 75 75 GLY HA2 H 1 4.092 0.030 . 2 . . . . 75 GLY HA2 . 11206 1 817 . 1 1 75 75 GLY HA3 H 1 3.513 0.030 . 2 . . . . 75 GLY HA3 . 11206 1 818 . 1 1 75 75 GLY C C 13 173.637 0.300 . 1 . . . . 75 GLY C . 11206 1 819 . 1 1 75 75 GLY CA C 13 45.165 0.300 . 1 . . . . 75 GLY CA . 11206 1 820 . 1 1 75 75 GLY N N 15 102.161 0.300 . 1 . . . . 75 GLY N . 11206 1 821 . 1 1 76 76 ILE H H 1 7.901 0.030 . 1 . . . . 76 ILE H . 11206 1 822 . 1 1 76 76 ILE HA H 1 4.146 0.030 . 1 . . . . 76 ILE HA . 11206 1 823 . 1 1 76 76 ILE HB H 1 2.207 0.030 . 1 . . . . 76 ILE HB . 11206 1 824 . 1 1 76 76 ILE HD11 H 1 0.851 0.030 . 1 . . . . 76 ILE HD1 . 11206 1 825 . 1 1 76 76 ILE HD12 H 1 0.851 0.030 . 1 . . . . 76 ILE HD1 . 11206 1 826 . 1 1 76 76 ILE HD13 H 1 0.851 0.030 . 1 . . . . 76 ILE HD1 . 11206 1 827 . 1 1 76 76 ILE HG12 H 1 1.258 0.030 . 2 . . . . 76 ILE HG12 . 11206 1 828 . 1 1 76 76 ILE HG13 H 1 1.472 0.030 . 2 . . . . 76 ILE HG13 . 11206 1 829 . 1 1 76 76 ILE HG21 H 1 0.896 0.030 . 1 . . . . 76 ILE HG2 . 11206 1 830 . 1 1 76 76 ILE HG22 H 1 0.896 0.030 . 1 . . . . 76 ILE HG2 . 11206 1 831 . 1 1 76 76 ILE HG23 H 1 0.896 0.030 . 1 . . . . 76 ILE HG2 . 11206 1 832 . 1 1 76 76 ILE C C 13 175.589 0.300 . 1 . . . . 76 ILE C . 11206 1 833 . 1 1 76 76 ILE CA C 13 59.615 0.300 . 1 . . . . 76 ILE CA . 11206 1 834 . 1 1 76 76 ILE CB C 13 36.657 0.300 . 1 . . . . 76 ILE CB . 11206 1 835 . 1 1 76 76 ILE CD1 C 13 11.456 0.300 . 1 . . . . 76 ILE CD1 . 11206 1 836 . 1 1 76 76 ILE CG1 C 13 27.006 0.300 . 1 . . . . 76 ILE CG1 . 11206 1 837 . 1 1 76 76 ILE CG2 C 13 17.457 0.300 . 1 . . . . 76 ILE CG2 . 11206 1 838 . 1 1 76 76 ILE N N 15 123.892 0.300 . 1 . . . . 76 ILE N . 11206 1 839 . 1 1 77 77 ALA H H 1 8.729 0.030 . 1 . . . . 77 ALA H . 11206 1 840 . 1 1 77 77 ALA HA H 1 4.474 0.030 . 1 . . . . 77 ALA HA . 11206 1 841 . 1 1 77 77 ALA HB1 H 1 1.496 0.030 . 1 . . . . 77 ALA HB . 11206 1 842 . 1 1 77 77 ALA HB2 H 1 1.496 0.030 . 1 . . . . 77 ALA HB . 11206 1 843 . 1 1 77 77 ALA HB3 H 1 1.496 0.030 . 1 . . . . 77 ALA HB . 11206 1 844 . 1 1 77 77 ALA C C 13 179.169 0.300 . 1 . . . . 77 ALA C . 11206 1 845 . 1 1 77 77 ALA CA C 13 52.566 0.300 . 1 . . . . 77 ALA CA . 11206 1 846 . 1 1 77 77 ALA CB C 13 18.605 0.300 . 1 . . . . 77 ALA CB . 11206 1 847 . 1 1 77 77 ALA N N 15 131.319 0.300 . 1 . . . . 77 ALA N . 11206 1 848 . 1 1 78 78 THR H H 1 8.254 0.030 . 1 . . . . 78 THR H . 11206 1 849 . 1 1 78 78 THR HA H 1 3.984 0.030 . 1 . . . . 78 THR HA . 11206 1 850 . 1 1 78 78 THR HB H 1 3.957 0.030 . 1 . . . . 78 THR HB . 11206 1 851 . 1 1 78 78 THR HG21 H 1 1.022 0.030 . 1 . . . . 78 THR HG2 . 11206 1 852 . 1 1 78 78 THR HG22 H 1 1.022 0.030 . 1 . . . . 78 THR HG2 . 11206 1 853 . 1 1 78 78 THR HG23 H 1 1.022 0.030 . 1 . . . . 78 THR HG2 . 11206 1 854 . 1 1 78 78 THR C C 13 177.537 0.300 . 1 . . . . 78 THR C . 11206 1 855 . 1 1 78 78 THR CA C 13 62.707 0.300 . 1 . . . . 78 THR CA . 11206 1 856 . 1 1 78 78 THR CB C 13 68.269 0.300 . 1 . . . . 78 THR CB . 11206 1 857 . 1 1 78 78 THR CG2 C 13 22.892 0.300 . 1 . . . . 78 THR CG2 . 11206 1 858 . 1 1 78 78 THR N N 15 114.468 0.300 . 1 . . . . 78 THR N . 11206 1 859 . 1 1 79 79 GLU H H 1 8.382 0.030 . 1 . . . . 79 GLU H . 11206 1 860 . 1 1 79 79 GLU HA H 1 4.085 0.030 . 1 . . . . 79 GLU HA . 11206 1 861 . 1 1 79 79 GLU HB2 H 1 2.101 0.030 . 2 . . . . 79 GLU HB2 . 11206 1 862 . 1 1 79 79 GLU HB3 H 1 1.857 0.030 . 2 . . . . 79 GLU HB3 . 11206 1 863 . 1 1 79 79 GLU HG2 H 1 2.015 0.030 . 2 . . . . 79 GLU HG2 . 11206 1 864 . 1 1 79 79 GLU HG3 H 1 1.902 0.030 . 2 . . . . 79 GLU HG3 . 11206 1 865 . 1 1 79 79 GLU C C 13 175.272 0.300 . 1 . . . . 79 GLU C . 11206 1 866 . 1 1 79 79 GLU CA C 13 58.141 0.300 . 1 . . . . 79 GLU CA . 11206 1 867 . 1 1 79 79 GLU CB C 13 29.942 0.300 . 1 . . . . 79 GLU CB . 11206 1 868 . 1 1 79 79 GLU CG C 13 37.363 0.300 . 1 . . . . 79 GLU CG . 11206 1 869 . 1 1 79 79 GLU N N 15 119.955 0.300 . 1 . . . . 79 GLU N . 11206 1 870 . 1 1 80 80 ASP H H 1 7.589 0.030 . 1 . . . . 80 ASP H . 11206 1 871 . 1 1 80 80 ASP HA H 1 4.634 0.030 . 1 . . . . 80 ASP HA . 11206 1 872 . 1 1 80 80 ASP HB2 H 1 2.887 0.030 . 2 . . . . 80 ASP HB2 . 11206 1 873 . 1 1 80 80 ASP HB3 H 1 2.754 0.030 . 2 . . . . 80 ASP HB3 . 11206 1 874 . 1 1 80 80 ASP C C 13 175.761 0.300 . 1 . . . . 80 ASP C . 11206 1 875 . 1 1 80 80 ASP CA C 13 55.096 0.300 . 1 . . . . 80 ASP CA . 11206 1 876 . 1 1 80 80 ASP CB C 13 40.733 0.300 . 1 . . . . 80 ASP CB . 11206 1 877 . 1 1 80 80 ASP N N 15 117.025 0.300 . 1 . . . . 80 ASP N . 11206 1 878 . 1 1 81 81 GLY H H 1 7.468 0.030 . 1 . . . . 81 GLY H . 11206 1 879 . 1 1 81 81 GLY HA2 H 1 4.712 0.030 . 2 . . . . 81 GLY HA2 . 11206 1 880 . 1 1 81 81 GLY HA3 H 1 3.931 0.030 . 2 . . . . 81 GLY HA3 . 11206 1 881 . 1 1 81 81 GLY C C 13 173.176 0.300 . 1 . . . . 81 GLY C . 11206 1 882 . 1 1 81 81 GLY CA C 13 45.079 0.300 . 1 . . . . 81 GLY CA . 11206 1 883 . 1 1 81 81 GLY N N 15 108.119 0.300 . 1 . . . . 81 GLY N . 11206 1 884 . 1 1 82 82 THR H H 1 8.569 0.030 . 1 . . . . 82 THR H . 11206 1 885 . 1 1 82 82 THR HA H 1 4.850 0.030 . 1 . . . . 82 THR HA . 11206 1 886 . 1 1 82 82 THR HB H 1 4.778 0.030 . 1 . . . . 82 THR HB . 11206 1 887 . 1 1 82 82 THR HG21 H 1 1.155 0.030 . 1 . . . . 82 THR HG2 . 11206 1 888 . 1 1 82 82 THR HG22 H 1 1.155 0.030 . 1 . . . . 82 THR HG2 . 11206 1 889 . 1 1 82 82 THR HG23 H 1 1.155 0.030 . 1 . . . . 82 THR HG2 . 11206 1 890 . 1 1 82 82 THR C C 13 177.375 0.300 . 1 . . . . 82 THR C . 11206 1 891 . 1 1 82 82 THR CA C 13 60.156 0.300 . 1 . . . . 82 THR CA . 11206 1 892 . 1 1 82 82 THR CB C 13 71.927 0.300 . 1 . . . . 82 THR CB . 11206 1 893 . 1 1 82 82 THR CG2 C 13 21.685 0.300 . 1 . . . . 82 THR CG2 . 11206 1 894 . 1 1 82 82 THR N N 15 109.498 0.300 . 1 . . . . 82 THR N . 11206 1 895 . 1 1 83 83 MET H H 1 9.310 0.030 . 1 . . . . 83 MET H . 11206 1 896 . 1 1 83 83 MET HA H 1 4.589 0.030 . 1 . . . . 83 MET HA . 11206 1 897 . 1 1 83 83 MET HB2 H 1 2.265 0.030 . 2 . . . . 83 MET HB2 . 11206 1 898 . 1 1 83 83 MET HB3 H 1 2.157 0.030 . 2 . . . . 83 MET HB3 . 11206 1 899 . 1 1 83 83 MET HE1 H 1 2.032 0.030 . 1 . . . . 83 MET HE . 11206 1 900 . 1 1 83 83 MET HE2 H 1 2.032 0.030 . 1 . . . . 83 MET HE . 11206 1 901 . 1 1 83 83 MET HE3 H 1 2.032 0.030 . 1 . . . . 83 MET HE . 11206 1 902 . 1 1 83 83 MET HG2 H 1 2.873 0.030 . 2 . . . . 83 MET HG2 . 11206 1 903 . 1 1 83 83 MET HG3 H 1 2.581 0.030 . 2 . . . . 83 MET HG3 . 11206 1 904 . 1 1 83 83 MET C C 13 178.304 0.300 . 1 . . . . 83 MET C . 11206 1 905 . 1 1 83 83 MET CA C 13 57.303 0.300 . 1 . . . . 83 MET CA . 11206 1 906 . 1 1 83 83 MET CB C 13 32.243 0.300 . 1 . . . . 83 MET CB . 11206 1 907 . 1 1 83 83 MET CE C 13 18.349 0.300 . 1 . . . . 83 MET CE . 11206 1 908 . 1 1 83 83 MET CG C 13 32.174 0.300 . 1 . . . . 83 MET CG . 11206 1 909 . 1 1 83 83 MET N N 15 122.655 0.300 . 1 . . . . 83 MET N . 11206 1 910 . 1 1 84 84 GLU H H 1 8.564 0.030 . 1 . . . . 84 GLU H . 11206 1 911 . 1 1 84 84 GLU HA H 1 4.216 0.030 . 1 . . . . 84 GLU HA . 11206 1 912 . 1 1 84 84 GLU HB2 H 1 2.066 0.030 . 2 . . . . 84 GLU HB2 . 11206 1 913 . 1 1 84 84 GLU HB3 H 1 1.968 0.030 . 2 . . . . 84 GLU HB3 . 11206 1 914 . 1 1 84 84 GLU HG2 H 1 2.334 0.030 . 1 . . . . 84 GLU HG2 . 11206 1 915 . 1 1 84 84 GLU HG3 H 1 2.334 0.030 . 1 . . . . 84 GLU HG3 . 11206 1 916 . 1 1 84 84 GLU C C 13 179.728 0.300 . 1 . . . . 84 GLU C . 11206 1 917 . 1 1 84 84 GLU CA C 13 59.614 0.300 . 1 . . . . 84 GLU CA . 11206 1 918 . 1 1 84 84 GLU CB C 13 29.268 0.300 . 1 . . . . 84 GLU CB . 11206 1 919 . 1 1 84 84 GLU CG C 13 36.336 0.300 . 1 . . . . 84 GLU CG . 11206 1 920 . 1 1 84 84 GLU N N 15 119.761 0.300 . 1 . . . . 84 GLU N . 11206 1 921 . 1 1 85 85 GLU H H 1 7.878 0.030 . 1 . . . . 85 GLU H . 11206 1 922 . 1 1 85 85 GLU HA H 1 4.011 0.030 . 1 . . . . 85 GLU HA . 11206 1 923 . 1 1 85 85 GLU HB2 H 1 2.261 0.030 . 2 . . . . 85 GLU HB2 . 11206 1 924 . 1 1 85 85 GLU HB3 H 1 1.994 0.030 . 2 . . . . 85 GLU HB3 . 11206 1 925 . 1 1 85 85 GLU HG2 H 1 2.361 0.030 . 2 . . . . 85 GLU HG2 . 11206 1 926 . 1 1 85 85 GLU HG3 H 1 2.330 0.030 . 2 . . . . 85 GLU HG3 . 11206 1 927 . 1 1 85 85 GLU C C 13 179.105 0.300 . 1 . . . . 85 GLU C . 11206 1 928 . 1 1 85 85 GLU CA C 13 59.425 0.300 . 1 . . . . 85 GLU CA . 11206 1 929 . 1 1 85 85 GLU CB C 13 29.359 0.300 . 1 . . . . 85 GLU CB . 11206 1 930 . 1 1 85 85 GLU CG C 13 37.746 0.300 . 1 . . . . 85 GLU CG . 11206 1 931 . 1 1 85 85 GLU N N 15 119.659 0.300 . 1 . . . . 85 GLU N . 11206 1 932 . 1 1 86 86 ALA H H 1 7.893 0.030 . 1 . . . . 86 ALA H . 11206 1 933 . 1 1 86 86 ALA HA H 1 4.021 0.030 . 1 . . . . 86 ALA HA . 11206 1 934 . 1 1 86 86 ALA HB1 H 1 1.454 0.030 . 1 . . . . 86 ALA HB . 11206 1 935 . 1 1 86 86 ALA HB2 H 1 1.454 0.030 . 1 . . . . 86 ALA HB . 11206 1 936 . 1 1 86 86 ALA HB3 H 1 1.454 0.030 . 1 . . . . 86 ALA HB . 11206 1 937 . 1 1 86 86 ALA C C 13 178.959 0.300 . 1 . . . . 86 ALA C . 11206 1 938 . 1 1 86 86 ALA CA C 13 55.639 0.300 . 1 . . . . 86 ALA CA . 11206 1 939 . 1 1 86 86 ALA CB C 13 16.894 0.300 . 1 . . . . 86 ALA CB . 11206 1 940 . 1 1 86 86 ALA N N 15 123.026 0.300 . 1 . . . . 86 ALA N . 11206 1 941 . 1 1 87 87 ASN H H 1 8.431 0.030 . 1 . . . . 87 ASN H . 11206 1 942 . 1 1 87 87 ASN HA H 1 4.571 0.030 . 1 . . . . 87 ASN HA . 11206 1 943 . 1 1 87 87 ASN HB2 H 1 2.900 0.030 . 2 . . . . 87 ASN HB2 . 11206 1 944 . 1 1 87 87 ASN HB3 H 1 2.691 0.030 . 2 . . . . 87 ASN HB3 . 11206 1 945 . 1 1 87 87 ASN HD21 H 1 7.394 0.030 . 2 . . . . 87 ASN HD21 . 11206 1 946 . 1 1 87 87 ASN HD22 H 1 7.160 0.030 . 2 . . . . 87 ASN HD22 . 11206 1 947 . 1 1 87 87 ASN C C 13 179.069 0.300 . 1 . . . . 87 ASN C . 11206 1 948 . 1 1 87 87 ASN CA C 13 55.997 0.300 . 1 . . . . 87 ASN CA . 11206 1 949 . 1 1 87 87 ASN CB C 13 38.115 0.300 . 1 . . . . 87 ASN CB . 11206 1 950 . 1 1 87 87 ASN N N 15 114.771 0.300 . 1 . . . . 87 ASN N . 11206 1 951 . 1 1 87 87 ASN ND2 N 15 111.583 0.300 . 1 . . . . 87 ASN ND2 . 11206 1 952 . 1 1 88 88 GLN H H 1 8.386 0.030 . 1 . . . . 88 GLN H . 11206 1 953 . 1 1 88 88 GLN HA H 1 3.961 0.030 . 1 . . . . 88 GLN HA . 11206 1 954 . 1 1 88 88 GLN HB2 H 1 2.290 0.030 . 2 . . . . 88 GLN HB2 . 11206 1 955 . 1 1 88 88 GLN HB3 H 1 2.218 0.030 . 2 . . . . 88 GLN HB3 . 11206 1 956 . 1 1 88 88 GLN HE21 H 1 6.945 0.030 . 2 . . . . 88 GLN HE21 . 11206 1 957 . 1 1 88 88 GLN HE22 H 1 7.933 0.030 . 2 . . . . 88 GLN HE22 . 11206 1 958 . 1 1 88 88 GLN HG2 H 1 2.461 0.030 . 1 . . . . 88 GLN HG2 . 11206 1 959 . 1 1 88 88 GLN HG3 H 1 2.461 0.030 . 1 . . . . 88 GLN HG3 . 11206 1 960 . 1 1 88 88 GLN C C 13 177.729 0.300 . 1 . . . . 88 GLN C . 11206 1 961 . 1 1 88 88 GLN CA C 13 58.817 0.300 . 1 . . . . 88 GLN CA . 11206 1 962 . 1 1 88 88 GLN CB C 13 27.898 0.300 . 1 . . . . 88 GLN CB . 11206 1 963 . 1 1 88 88 GLN CG C 13 33.439 0.300 . 1 . . . . 88 GLN CG . 11206 1 964 . 1 1 88 88 GLN N N 15 122.388 0.300 . 1 . . . . 88 GLN N . 11206 1 965 . 1 1 88 88 GLN NE2 N 15 115.856 0.300 . 1 . . . . 88 GLN NE2 . 11206 1 966 . 1 1 89 89 LEU H H 1 8.142 0.030 . 1 . . . . 89 LEU H . 11206 1 967 . 1 1 89 89 LEU HA H 1 4.218 0.030 . 1 . . . . 89 LEU HA . 11206 1 968 . 1 1 89 89 LEU HB2 H 1 2.192 0.030 . 2 . . . . 89 LEU HB2 . 11206 1 969 . 1 1 89 89 LEU HB3 H 1 1.284 0.030 . 2 . . . . 89 LEU HB3 . 11206 1 970 . 1 1 89 89 LEU HD11 H 1 0.920 0.030 . 1 . . . . 89 LEU HD1 . 11206 1 971 . 1 1 89 89 LEU HD12 H 1 0.920 0.030 . 1 . . . . 89 LEU HD1 . 11206 1 972 . 1 1 89 89 LEU HD13 H 1 0.920 0.030 . 1 . . . . 89 LEU HD1 . 11206 1 973 . 1 1 89 89 LEU HD21 H 1 0.965 0.030 . 1 . . . . 89 LEU HD2 . 11206 1 974 . 1 1 89 89 LEU HD22 H 1 0.965 0.030 . 1 . . . . 89 LEU HD2 . 11206 1 975 . 1 1 89 89 LEU HD23 H 1 0.965 0.030 . 1 . . . . 89 LEU HD2 . 11206 1 976 . 1 1 89 89 LEU HG H 1 1.940 0.030 . 1 . . . . 89 LEU HG . 11206 1 977 . 1 1 89 89 LEU C C 13 181.018 0.300 . 1 . . . . 89 LEU C . 11206 1 978 . 1 1 89 89 LEU CA C 13 58.291 0.300 . 1 . . . . 89 LEU CA . 11206 1 979 . 1 1 89 89 LEU CB C 13 42.373 0.300 . 1 . . . . 89 LEU CB . 11206 1 980 . 1 1 89 89 LEU CD1 C 13 25.920 0.300 . 2 . . . . 89 LEU CD1 . 11206 1 981 . 1 1 89 89 LEU CD2 C 13 23.255 0.300 . 2 . . . . 89 LEU CD2 . 11206 1 982 . 1 1 89 89 LEU CG C 13 26.946 0.300 . 1 . . . . 89 LEU CG . 11206 1 983 . 1 1 89 89 LEU N N 15 120.433 0.300 . 1 . . . . 89 LEU N . 11206 1 984 . 1 1 90 90 LEU H H 1 7.730 0.030 . 1 . . . . 90 LEU H . 11206 1 985 . 1 1 90 90 LEU HA H 1 4.110 0.030 . 1 . . . . 90 LEU HA . 11206 1 986 . 1 1 90 90 LEU HB2 H 1 2.032 0.030 . 2 . . . . 90 LEU HB2 . 11206 1 987 . 1 1 90 90 LEU HB3 H 1 1.841 0.030 . 2 . . . . 90 LEU HB3 . 11206 1 988 . 1 1 90 90 LEU HD11 H 1 0.948 0.030 . 1 . . . . 90 LEU HD1 . 11206 1 989 . 1 1 90 90 LEU HD12 H 1 0.948 0.030 . 1 . . . . 90 LEU HD1 . 11206 1 990 . 1 1 90 90 LEU HD13 H 1 0.948 0.030 . 1 . . . . 90 LEU HD1 . 11206 1 991 . 1 1 90 90 LEU HD21 H 1 0.853 0.030 . 1 . . . . 90 LEU HD2 . 11206 1 992 . 1 1 90 90 LEU HD22 H 1 0.853 0.030 . 1 . . . . 90 LEU HD2 . 11206 1 993 . 1 1 90 90 LEU HD23 H 1 0.853 0.030 . 1 . . . . 90 LEU HD2 . 11206 1 994 . 1 1 90 90 LEU HG H 1 1.917 0.030 . 1 . . . . 90 LEU HG . 11206 1 995 . 1 1 90 90 LEU C C 13 179.400 0.300 . 1 . . . . 90 LEU C . 11206 1 996 . 1 1 90 90 LEU CA C 13 58.224 0.300 . 1 . . . . 90 LEU CA . 11206 1 997 . 1 1 90 90 LEU CB C 13 42.205 0.300 . 1 . . . . 90 LEU CB . 11206 1 998 . 1 1 90 90 LEU CD1 C 13 25.284 0.300 . 2 . . . . 90 LEU CD1 . 11206 1 999 . 1 1 90 90 LEU CD2 C 13 24.235 0.300 . 2 . . . . 90 LEU CD2 . 11206 1 1000 . 1 1 90 90 LEU CG C 13 27.163 0.300 . 1 . . . . 90 LEU CG . 11206 1 1001 . 1 1 90 90 LEU N N 15 118.938 0.300 . 1 . . . . 90 LEU N . 11206 1 1002 . 1 1 91 91 ARG H H 1 8.091 0.030 . 1 . . . . 91 ARG H . 11206 1 1003 . 1 1 91 91 ARG HA H 1 4.116 0.030 . 1 . . . . 91 ARG HA . 11206 1 1004 . 1 1 91 91 ARG HB2 H 1 2.060 0.030 . 2 . . . . 91 ARG HB2 . 11206 1 1005 . 1 1 91 91 ARG HB3 H 1 2.002 0.030 . 2 . . . . 91 ARG HB3 . 11206 1 1006 . 1 1 91 91 ARG HD2 H 1 3.307 0.030 . 2 . . . . 91 ARG HD2 . 11206 1 1007 . 1 1 91 91 ARG HD3 H 1 3.199 0.030 . 2 . . . . 91 ARG HD3 . 11206 1 1008 . 1 1 91 91 ARG HG2 H 1 1.631 0.030 . 2 . . . . 91 ARG HG2 . 11206 1 1009 . 1 1 91 91 ARG HG3 H 1 1.899 0.030 . 2 . . . . 91 ARG HG3 . 11206 1 1010 . 1 1 91 91 ARG C C 13 179.582 0.300 . 1 . . . . 91 ARG C . 11206 1 1011 . 1 1 91 91 ARG CA C 13 59.926 0.300 . 1 . . . . 91 ARG CA . 11206 1 1012 . 1 1 91 91 ARG CB C 13 30.250 0.300 . 1 . . . . 91 ARG CB . 11206 1 1013 . 1 1 91 91 ARG CD C 13 43.635 0.300 . 1 . . . . 91 ARG CD . 11206 1 1014 . 1 1 91 91 ARG CG C 13 27.920 0.300 . 1 . . . . 91 ARG CG . 11206 1 1015 . 1 1 91 91 ARG N N 15 121.808 0.300 . 1 . . . . 91 ARG N . 11206 1 1016 . 1 1 92 92 ASP H H 1 8.910 0.030 . 1 . . . . 92 ASP H . 11206 1 1017 . 1 1 92 92 ASP HA H 1 4.468 0.030 . 1 . . . . 92 ASP HA . 11206 1 1018 . 1 1 92 92 ASP HB2 H 1 2.827 0.030 . 2 . . . . 92 ASP HB2 . 11206 1 1019 . 1 1 92 92 ASP HB3 H 1 2.685 0.030 . 2 . . . . 92 ASP HB3 . 11206 1 1020 . 1 1 92 92 ASP C C 13 179.806 0.300 . 1 . . . . 92 ASP C . 11206 1 1021 . 1 1 92 92 ASP CA C 13 57.286 0.300 . 1 . . . . 92 ASP CA . 11206 1 1022 . 1 1 92 92 ASP CB C 13 40.027 0.300 . 1 . . . . 92 ASP CB . 11206 1 1023 . 1 1 92 92 ASP N N 15 121.042 0.300 . 1 . . . . 92 ASP N . 11206 1 1024 . 1 1 93 93 ALA H H 1 8.329 0.030 . 1 . . . . 93 ALA H . 11206 1 1025 . 1 1 93 93 ALA HA H 1 4.302 0.030 . 1 . . . . 93 ALA HA . 11206 1 1026 . 1 1 93 93 ALA HB1 H 1 1.749 0.030 . 1 . . . . 93 ALA HB . 11206 1 1027 . 1 1 93 93 ALA HB2 H 1 1.749 0.030 . 1 . . . . 93 ALA HB . 11206 1 1028 . 1 1 93 93 ALA HB3 H 1 1.749 0.030 . 1 . . . . 93 ALA HB . 11206 1 1029 . 1 1 93 93 ALA C C 13 179.218 0.300 . 1 . . . . 93 ALA C . 11206 1 1030 . 1 1 93 93 ALA CA C 13 54.867 0.300 . 1 . . . . 93 ALA CA . 11206 1 1031 . 1 1 93 93 ALA CB C 13 18.134 0.300 . 1 . . . . 93 ALA CB . 11206 1 1032 . 1 1 93 93 ALA N N 15 123.624 0.300 . 1 . . . . 93 ALA N . 11206 1 1033 . 1 1 94 94 ALA H H 1 7.827 0.030 . 1 . . . . 94 ALA H . 11206 1 1034 . 1 1 94 94 ALA HA H 1 3.625 0.030 . 1 . . . . 94 ALA HA . 11206 1 1035 . 1 1 94 94 ALA HB1 H 1 1.205 0.030 . 1 . . . . 94 ALA HB . 11206 1 1036 . 1 1 94 94 ALA HB2 H 1 1.205 0.030 . 1 . . . . 94 ALA HB . 11206 1 1037 . 1 1 94 94 ALA HB3 H 1 1.205 0.030 . 1 . . . . 94 ALA HB . 11206 1 1038 . 1 1 94 94 ALA C C 13 180.260 0.300 . 1 . . . . 94 ALA C . 11206 1 1039 . 1 1 94 94 ALA CA C 13 55.226 0.300 . 1 . . . . 94 ALA CA . 11206 1 1040 . 1 1 94 94 ALA CB C 13 17.214 0.300 . 1 . . . . 94 ALA CB . 11206 1 1041 . 1 1 94 94 ALA N N 15 119.928 0.300 . 1 . . . . 94 ALA N . 11206 1 1042 . 1 1 95 95 LEU H H 1 7.420 0.030 . 1 . . . . 95 LEU H . 11206 1 1043 . 1 1 95 95 LEU HA H 1 3.987 0.030 . 1 . . . . 95 LEU HA . 11206 1 1044 . 1 1 95 95 LEU HB2 H 1 1.987 0.030 . 2 . . . . 95 LEU HB2 . 11206 1 1045 . 1 1 95 95 LEU HB3 H 1 1.612 0.030 . 2 . . . . 95 LEU HB3 . 11206 1 1046 . 1 1 95 95 LEU HD11 H 1 1.017 0.030 . 1 . . . . 95 LEU HD1 . 11206 1 1047 . 1 1 95 95 LEU HD12 H 1 1.017 0.030 . 1 . . . . 95 LEU HD1 . 11206 1 1048 . 1 1 95 95 LEU HD13 H 1 1.017 0.030 . 1 . . . . 95 LEU HD1 . 11206 1 1049 . 1 1 95 95 LEU HD21 H 1 0.925 0.030 . 1 . . . . 95 LEU HD2 . 11206 1 1050 . 1 1 95 95 LEU HD22 H 1 0.925 0.030 . 1 . . . . 95 LEU HD2 . 11206 1 1051 . 1 1 95 95 LEU HD23 H 1 0.925 0.030 . 1 . . . . 95 LEU HD2 . 11206 1 1052 . 1 1 95 95 LEU HG H 1 1.875 0.030 . 1 . . . . 95 LEU HG . 11206 1 1053 . 1 1 95 95 LEU C C 13 177.860 0.300 . 1 . . . . 95 LEU C . 11206 1 1054 . 1 1 95 95 LEU CA C 13 57.475 0.300 . 1 . . . . 95 LEU CA . 11206 1 1055 . 1 1 95 95 LEU CB C 13 41.560 0.300 . 1 . . . . 95 LEU CB . 11206 1 1056 . 1 1 95 95 LEU CD1 C 13 25.314 0.300 . 2 . . . . 95 LEU CD1 . 11206 1 1057 . 1 1 95 95 LEU CD2 C 13 23.184 0.300 . 2 . . . . 95 LEU CD2 . 11206 1 1058 . 1 1 95 95 LEU CG C 13 27.164 0.300 . 1 . . . . 95 LEU CG . 11206 1 1059 . 1 1 95 95 LEU N N 15 117.051 0.300 . 1 . . . . 95 LEU N . 11206 1 1060 . 1 1 96 96 ALA H H 1 7.421 0.030 . 1 . . . . 96 ALA H . 11206 1 1061 . 1 1 96 96 ALA HA H 1 4.457 0.030 . 1 . . . . 96 ALA HA . 11206 1 1062 . 1 1 96 96 ALA HB1 H 1 1.635 0.030 . 1 . . . . 96 ALA HB . 11206 1 1063 . 1 1 96 96 ALA HB2 H 1 1.635 0.030 . 1 . . . . 96 ALA HB . 11206 1 1064 . 1 1 96 96 ALA HB3 H 1 1.635 0.030 . 1 . . . . 96 ALA HB . 11206 1 1065 . 1 1 96 96 ALA C C 13 177.201 0.300 . 1 . . . . 96 ALA C . 11206 1 1066 . 1 1 96 96 ALA CA C 13 51.889 0.300 . 1 . . . . 96 ALA CA . 11206 1 1067 . 1 1 96 96 ALA CB C 13 19.318 0.300 . 1 . . . . 96 ALA CB . 11206 1 1068 . 1 1 96 96 ALA N N 15 119.852 0.300 . 1 . . . . 96 ALA N . 11206 1 1069 . 1 1 97 97 HIS H H 1 7.759 0.030 . 1 . . . . 97 HIS H . 11206 1 1070 . 1 1 97 97 HIS HA H 1 4.285 0.030 . 1 . . . . 97 HIS HA . 11206 1 1071 . 1 1 97 97 HIS HB2 H 1 3.690 0.030 . 1 . . . . 97 HIS HB2 . 11206 1 1072 . 1 1 97 97 HIS HB3 H 1 3.690 0.030 . 1 . . . . 97 HIS HB3 . 11206 1 1073 . 1 1 97 97 HIS HD2 H 1 7.181 0.030 . 1 . . . . 97 HIS HD2 . 11206 1 1074 . 1 1 97 97 HIS HE1 H 1 8.112 0.030 . 1 . . . . 97 HIS HE1 . 11206 1 1075 . 1 1 97 97 HIS C C 13 174.687 0.300 . 1 . . . . 97 HIS C . 11206 1 1076 . 1 1 97 97 HIS CA C 13 57.547 0.300 . 1 . . . . 97 HIS CA . 11206 1 1077 . 1 1 97 97 HIS CB C 13 27.418 0.300 . 1 . . . . 97 HIS CB . 11206 1 1078 . 1 1 97 97 HIS CD2 C 13 120.694 0.300 . 1 . . . . 97 HIS CD2 . 11206 1 1079 . 1 1 97 97 HIS CE1 C 13 137.184 0.300 . 1 . . . . 97 HIS CE1 . 11206 1 1080 . 1 1 97 97 HIS N N 15 111.015 0.300 . 1 . . . . 97 HIS N . 11206 1 1081 . 1 1 98 98 LYS H H 1 7.867 0.030 . 1 . . . . 98 LYS H . 11206 1 1082 . 1 1 98 98 LYS HA H 1 5.523 0.030 . 1 . . . . 98 LYS HA . 11206 1 1083 . 1 1 98 98 LYS HB2 H 1 1.862 0.030 . 2 . . . . 98 LYS HB2 . 11206 1 1084 . 1 1 98 98 LYS HB3 H 1 1.692 0.030 . 2 . . . . 98 LYS HB3 . 11206 1 1085 . 1 1 98 98 LYS HD2 H 1 1.599 0.030 . 1 . . . . 98 LYS HD2 . 11206 1 1086 . 1 1 98 98 LYS HD3 H 1 1.599 0.030 . 1 . . . . 98 LYS HD3 . 11206 1 1087 . 1 1 98 98 LYS HE2 H 1 2.856 0.030 . 2 . . . . 98 LYS HE2 . 11206 1 1088 . 1 1 98 98 LYS HE3 H 1 2.831 0.030 . 2 . . . . 98 LYS HE3 . 11206 1 1089 . 1 1 98 98 LYS HG2 H 1 1.365 0.030 . 2 . . . . 98 LYS HG2 . 11206 1 1090 . 1 1 98 98 LYS HG3 H 1 1.229 0.030 . 2 . . . . 98 LYS HG3 . 11206 1 1091 . 1 1 98 98 LYS C C 13 173.204 0.300 . 1 . . . . 98 LYS C . 11206 1 1092 . 1 1 98 98 LYS CA C 13 56.372 0.300 . 1 . . . . 98 LYS CA . 11206 1 1093 . 1 1 98 98 LYS CB C 13 36.017 0.300 . 1 . . . . 98 LYS CB . 11206 1 1094 . 1 1 98 98 LYS CD C 13 29.517 0.300 . 1 . . . . 98 LYS CD . 11206 1 1095 . 1 1 98 98 LYS CE C 13 42.088 0.300 . 1 . . . . 98 LYS CE . 11206 1 1096 . 1 1 98 98 LYS CG C 13 24.522 0.300 . 1 . . . . 98 LYS CG . 11206 1 1097 . 1 1 98 98 LYS N N 15 119.750 0.300 . 1 . . . . 98 LYS N . 11206 1 1098 . 1 1 99 99 VAL H H 1 8.801 0.030 . 1 . . . . 99 VAL H . 11206 1 1099 . 1 1 99 99 VAL HA H 1 4.642 0.030 . 1 . . . . 99 VAL HA . 11206 1 1100 . 1 1 99 99 VAL HB H 1 1.418 0.030 . 1 . . . . 99 VAL HB . 11206 1 1101 . 1 1 99 99 VAL HG11 H 1 0.597 0.030 . 1 . . . . 99 VAL HG1 . 11206 1 1102 . 1 1 99 99 VAL HG12 H 1 0.597 0.030 . 1 . . . . 99 VAL HG1 . 11206 1 1103 . 1 1 99 99 VAL HG13 H 1 0.597 0.030 . 1 . . . . 99 VAL HG1 . 11206 1 1104 . 1 1 99 99 VAL HG21 H 1 -0.261 0.030 . 1 . . . . 99 VAL HG2 . 11206 1 1105 . 1 1 99 99 VAL HG22 H 1 -0.261 0.030 . 1 . . . . 99 VAL HG2 . 11206 1 1106 . 1 1 99 99 VAL HG23 H 1 -0.261 0.030 . 1 . . . . 99 VAL HG2 . 11206 1 1107 . 1 1 99 99 VAL C C 13 170.567 0.300 . 1 . . . . 99 VAL C . 11206 1 1108 . 1 1 99 99 VAL CA C 13 59.547 0.300 . 1 . . . . 99 VAL CA . 11206 1 1109 . 1 1 99 99 VAL CB C 13 35.324 0.300 . 1 . . . . 99 VAL CB . 11206 1 1110 . 1 1 99 99 VAL CG1 C 13 23.095 0.300 . 2 . . . . 99 VAL CG1 . 11206 1 1111 . 1 1 99 99 VAL CG2 C 13 17.600 0.300 . 2 . . . . 99 VAL CG2 . 11206 1 1112 . 1 1 99 99 VAL N N 15 123.083 0.300 . 1 . . . . 99 VAL N . 11206 1 1113 . 1 1 100 100 VAL H H 1 7.922 0.030 . 1 . . . . 100 VAL H . 11206 1 1114 . 1 1 100 100 VAL HA H 1 4.634 0.030 . 1 . . . . 100 VAL HA . 11206 1 1115 . 1 1 100 100 VAL HB H 1 1.978 0.030 . 1 . . . . 100 VAL HB . 11206 1 1116 . 1 1 100 100 VAL HG11 H 1 0.774 0.030 . 1 . . . . 100 VAL HG1 . 11206 1 1117 . 1 1 100 100 VAL HG12 H 1 0.774 0.030 . 1 . . . . 100 VAL HG1 . 11206 1 1118 . 1 1 100 100 VAL HG13 H 1 0.774 0.030 . 1 . . . . 100 VAL HG1 . 11206 1 1119 . 1 1 100 100 VAL HG21 H 1 0.911 0.030 . 1 . . . . 100 VAL HG2 . 11206 1 1120 . 1 1 100 100 VAL HG22 H 1 0.911 0.030 . 1 . . . . 100 VAL HG2 . 11206 1 1121 . 1 1 100 100 VAL HG23 H 1 0.911 0.030 . 1 . . . . 100 VAL HG2 . 11206 1 1122 . 1 1 100 100 VAL C C 13 176.133 0.300 . 1 . . . . 100 VAL C . 11206 1 1123 . 1 1 100 100 VAL CA C 13 61.038 0.300 . 1 . . . . 100 VAL CA . 11206 1 1124 . 1 1 100 100 VAL CB C 13 33.123 0.300 . 1 . . . . 100 VAL CB . 11206 1 1125 . 1 1 100 100 VAL CG1 C 13 21.108 0.300 . 2 . . . . 100 VAL CG1 . 11206 1 1126 . 1 1 100 100 VAL CG2 C 13 20.830 0.300 . 2 . . . . 100 VAL CG2 . 11206 1 1127 . 1 1 100 100 VAL N N 15 124.945 0.300 . 1 . . . . 100 VAL N . 11206 1 1128 . 1 1 101 101 LEU H H 1 9.571 0.030 . 1 . . . . 101 LEU H . 11206 1 1129 . 1 1 101 101 LEU HA H 1 5.132 0.030 . 1 . . . . 101 LEU HA . 11206 1 1130 . 1 1 101 101 LEU HB2 H 1 1.807 0.030 . 2 . . . . 101 LEU HB2 . 11206 1 1131 . 1 1 101 101 LEU HB3 H 1 1.194 0.030 . 2 . . . . 101 LEU HB3 . 11206 1 1132 . 1 1 101 101 LEU HD11 H 1 0.569 0.030 . 1 . . . . 101 LEU HD1 . 11206 1 1133 . 1 1 101 101 LEU HD12 H 1 0.569 0.030 . 1 . . . . 101 LEU HD1 . 11206 1 1134 . 1 1 101 101 LEU HD13 H 1 0.569 0.030 . 1 . . . . 101 LEU HD1 . 11206 1 1135 . 1 1 101 101 LEU HD21 H 1 0.697 0.030 . 1 . . . . 101 LEU HD2 . 11206 1 1136 . 1 1 101 101 LEU HD22 H 1 0.697 0.030 . 1 . . . . 101 LEU HD2 . 11206 1 1137 . 1 1 101 101 LEU HD23 H 1 0.697 0.030 . 1 . . . . 101 LEU HD2 . 11206 1 1138 . 1 1 101 101 LEU HG H 1 1.484 0.030 . 1 . . . . 101 LEU HG . 11206 1 1139 . 1 1 101 101 LEU C C 13 175.761 0.300 . 1 . . . . 101 LEU C . 11206 1 1140 . 1 1 101 101 LEU CA C 13 52.733 0.300 . 1 . . . . 101 LEU CA . 11206 1 1141 . 1 1 101 101 LEU CB C 13 44.951 0.300 . 1 . . . . 101 LEU CB . 11206 1 1142 . 1 1 101 101 LEU CD1 C 13 26.302 0.300 . 2 . . . . 101 LEU CD1 . 11206 1 1143 . 1 1 101 101 LEU CD2 C 13 24.861 0.300 . 2 . . . . 101 LEU CD2 . 11206 1 1144 . 1 1 101 101 LEU CG C 13 26.460 0.300 . 1 . . . . 101 LEU CG . 11206 1 1145 . 1 1 101 101 LEU N N 15 129.968 0.300 . 1 . . . . 101 LEU N . 11206 1 1146 . 1 1 102 102 GLU H H 1 7.783 0.030 . 1 . . . . 102 GLU H . 11206 1 1147 . 1 1 102 102 GLU HA H 1 5.043 0.030 . 1 . . . . 102 GLU HA . 11206 1 1148 . 1 1 102 102 GLU HB2 H 1 1.974 0.030 . 2 . . . . 102 GLU HB2 . 11206 1 1149 . 1 1 102 102 GLU HB3 H 1 1.890 0.030 . 2 . . . . 102 GLU HB3 . 11206 1 1150 . 1 1 102 102 GLU HG2 H 1 2.145 0.030 . 2 . . . . 102 GLU HG2 . 11206 1 1151 . 1 1 102 102 GLU HG3 H 1 1.928 0.030 . 2 . . . . 102 GLU HG3 . 11206 1 1152 . 1 1 102 102 GLU C C 13 175.601 0.300 . 1 . . . . 102 GLU C . 11206 1 1153 . 1 1 102 102 GLU CA C 13 56.004 0.300 . 1 . . . . 102 GLU CA . 11206 1 1154 . 1 1 102 102 GLU CB C 13 31.611 0.300 . 1 . . . . 102 GLU CB . 11206 1 1155 . 1 1 102 102 GLU CG C 13 36.670 0.300 . 1 . . . . 102 GLU CG . 11206 1 1156 . 1 1 102 102 GLU N N 15 121.939 0.300 . 1 . . . . 102 GLU N . 11206 1 1157 . 1 1 103 103 VAL H H 1 8.990 0.030 . 1 . . . . 103 VAL H . 11206 1 1158 . 1 1 103 103 VAL HA H 1 5.205 0.030 . 1 . . . . 103 VAL HA . 11206 1 1159 . 1 1 103 103 VAL HB H 1 1.920 0.030 . 1 . . . . 103 VAL HB . 11206 1 1160 . 1 1 103 103 VAL HG11 H 1 0.838 0.030 . 1 . . . . 103 VAL HG1 . 11206 1 1161 . 1 1 103 103 VAL HG12 H 1 0.838 0.030 . 1 . . . . 103 VAL HG1 . 11206 1 1162 . 1 1 103 103 VAL HG13 H 1 0.838 0.030 . 1 . . . . 103 VAL HG1 . 11206 1 1163 . 1 1 103 103 VAL HG21 H 1 0.766 0.030 . 1 . . . . 103 VAL HG2 . 11206 1 1164 . 1 1 103 103 VAL HG22 H 1 0.766 0.030 . 1 . . . . 103 VAL HG2 . 11206 1 1165 . 1 1 103 103 VAL HG23 H 1 0.766 0.030 . 1 . . . . 103 VAL HG2 . 11206 1 1166 . 1 1 103 103 VAL C C 13 173.897 0.300 . 1 . . . . 103 VAL C . 11206 1 1167 . 1 1 103 103 VAL CA C 13 59.890 0.300 . 1 . . . . 103 VAL CA . 11206 1 1168 . 1 1 103 103 VAL CB C 13 35.623 0.300 . 1 . . . . 103 VAL CB . 11206 1 1169 . 1 1 103 103 VAL CG1 C 13 21.681 0.300 . 2 . . . . 103 VAL CG1 . 11206 1 1170 . 1 1 103 103 VAL CG2 C 13 21.105 0.300 . 2 . . . . 103 VAL CG2 . 11206 1 1171 . 1 1 103 103 VAL N N 15 124.246 0.300 . 1 . . . . 103 VAL N . 11206 1 1172 . 1 1 104 104 GLU H H 1 8.904 0.030 . 1 . . . . 104 GLU H . 11206 1 1173 . 1 1 104 104 GLU HA H 1 4.964 0.030 . 1 . . . . 104 GLU HA . 11206 1 1174 . 1 1 104 104 GLU HB2 H 1 2.015 0.030 . 2 . . . . 104 GLU HB2 . 11206 1 1175 . 1 1 104 104 GLU HB3 H 1 1.836 0.030 . 2 . . . . 104 GLU HB3 . 11206 1 1176 . 1 1 104 104 GLU HG2 H 1 2.161 0.030 . 2 . . . . 104 GLU HG2 . 11206 1 1177 . 1 1 104 104 GLU HG3 H 1 2.043 0.030 . 2 . . . . 104 GLU HG3 . 11206 1 1178 . 1 1 104 104 GLU C C 13 174.365 0.300 . 1 . . . . 104 GLU C . 11206 1 1179 . 1 1 104 104 GLU CA C 13 54.592 0.300 . 1 . . . . 104 GLU CA . 11206 1 1180 . 1 1 104 104 GLU CB C 13 33.660 0.300 . 1 . . . . 104 GLU CB . 11206 1 1181 . 1 1 104 104 GLU CG C 13 37.309 0.300 . 1 . . . . 104 GLU CG . 11206 1 1182 . 1 1 104 104 GLU N N 15 125.127 0.300 . 1 . . . . 104 GLU N . 11206 1 1183 . 1 1 105 105 PHE H H 1 8.501 0.030 . 1 . . . . 105 PHE H . 11206 1 1184 . 1 1 105 105 PHE HA H 1 5.001 0.030 . 1 . . . . 105 PHE HA . 11206 1 1185 . 1 1 105 105 PHE HB2 H 1 2.985 0.030 . 1 . . . . 105 PHE HB2 . 11206 1 1186 . 1 1 105 105 PHE HB3 H 1 2.985 0.030 . 1 . . . . 105 PHE HB3 . 11206 1 1187 . 1 1 105 105 PHE HD1 H 1 7.088 0.030 . 1 . . . . 105 PHE HD1 . 11206 1 1188 . 1 1 105 105 PHE HD2 H 1 7.088 0.030 . 1 . . . . 105 PHE HD2 . 11206 1 1189 . 1 1 105 105 PHE HE1 H 1 7.163 0.030 . 1 . . . . 105 PHE HE1 . 11206 1 1190 . 1 1 105 105 PHE HE2 H 1 7.163 0.030 . 1 . . . . 105 PHE HE2 . 11206 1 1191 . 1 1 105 105 PHE HZ H 1 7.130 0.030 . 1 . . . . 105 PHE HZ . 11206 1 1192 . 1 1 105 105 PHE C C 13 174.662 0.300 . 1 . . . . 105 PHE C . 11206 1 1193 . 1 1 105 105 PHE CA C 13 55.420 0.300 . 1 . . . . 105 PHE CA . 11206 1 1194 . 1 1 105 105 PHE CB C 13 41.522 0.300 . 1 . . . . 105 PHE CB . 11206 1 1195 . 1 1 105 105 PHE CD1 C 13 132.370 0.300 . 1 . . . . 105 PHE CD1 . 11206 1 1196 . 1 1 105 105 PHE CD2 C 13 132.370 0.300 . 1 . . . . 105 PHE CD2 . 11206 1 1197 . 1 1 105 105 PHE CE1 C 13 130.898 0.300 . 1 . . . . 105 PHE CE1 . 11206 1 1198 . 1 1 105 105 PHE CE2 C 13 130.898 0.300 . 1 . . . . 105 PHE CE2 . 11206 1 1199 . 1 1 105 105 PHE CZ C 13 129.540 0.300 . 1 . . . . 105 PHE CZ . 11206 1 1200 . 1 1 105 105 PHE N N 15 124.374 0.300 . 1 . . . . 105 PHE N . 11206 1 1201 . 1 1 106 106 ASP H H 1 8.904 0.030 . 1 . . . . 106 ASP H . 11206 1 1202 . 1 1 106 106 ASP HA H 1 4.724 0.030 . 1 . . . . 106 ASP HA . 11206 1 1203 . 1 1 106 106 ASP HB2 H 1 2.689 0.030 . 2 . . . . 106 ASP HB2 . 11206 1 1204 . 1 1 106 106 ASP HB3 H 1 2.607 0.030 . 2 . . . . 106 ASP HB3 . 11206 1 1205 . 1 1 106 106 ASP C C 13 176.202 0.300 . 1 . . . . 106 ASP C . 11206 1 1206 . 1 1 106 106 ASP CA C 13 54.337 0.300 . 1 . . . . 106 ASP CA . 11206 1 1207 . 1 1 106 106 ASP CB C 13 41.301 0.300 . 1 . . . . 106 ASP CB . 11206 1 1208 . 1 1 106 106 ASP N N 15 122.384 0.300 . 1 . . . . 106 ASP N . 11206 1 1209 . 1 1 107 107 SER H H 1 8.479 0.030 . 1 . . . . 107 SER H . 11206 1 1210 . 1 1 107 107 SER HA H 1 4.519 0.030 . 1 . . . . 107 SER HA . 11206 1 1211 . 1 1 107 107 SER HB2 H 1 3.814 0.030 . 2 . . . . 107 SER HB2 . 11206 1 1212 . 1 1 107 107 SER HB3 H 1 3.699 0.030 . 2 . . . . 107 SER HB3 . 11206 1 1213 . 1 1 107 107 SER C C 13 174.753 0.300 . 1 . . . . 107 SER C . 11206 1 1214 . 1 1 107 107 SER CA C 13 58.127 0.300 . 1 . . . . 107 SER CA . 11206 1 1215 . 1 1 107 107 SER CB C 13 64.206 0.300 . 1 . . . . 107 SER CB . 11206 1 1216 . 1 1 107 107 SER N N 15 118.289 0.300 . 1 . . . . 107 SER N . 11206 1 1217 . 1 1 108 108 GLY H H 1 8.372 0.030 . 1 . . . . 108 GLY H . 11206 1 1218 . 1 1 108 108 GLY HA2 H 1 4.173 0.030 . 2 . . . . 108 GLY HA2 . 11206 1 1219 . 1 1 108 108 GLY HA3 H 1 4.109 0.030 . 2 . . . . 108 GLY HA3 . 11206 1 1220 . 1 1 108 108 GLY C C 13 171.806 0.300 . 1 . . . . 108 GLY C . 11206 1 1221 . 1 1 108 108 GLY CA C 13 44.793 0.300 . 1 . . . . 108 GLY CA . 11206 1 1222 . 1 1 108 108 GLY N N 15 110.952 0.300 . 1 . . . . 108 GLY N . 11206 1 1223 . 1 1 109 109 PRO HA H 1 4.469 0.030 . 1 . . . . 109 PRO HA . 11206 1 1224 . 1 1 109 109 PRO HB2 H 1 2.271 0.030 . 2 . . . . 109 PRO HB2 . 11206 1 1225 . 1 1 109 109 PRO HB3 H 1 1.966 0.030 . 2 . . . . 109 PRO HB3 . 11206 1 1226 . 1 1 109 109 PRO HD2 H 1 3.622 0.030 . 1 . . . . 109 PRO HD2 . 11206 1 1227 . 1 1 109 109 PRO HD3 H 1 3.622 0.030 . 1 . . . . 109 PRO HD3 . 11206 1 1228 . 1 1 109 109 PRO HG2 H 1 2.008 0.030 . 1 . . . . 109 PRO HG2 . 11206 1 1229 . 1 1 109 109 PRO HG3 H 1 2.008 0.030 . 1 . . . . 109 PRO HG3 . 11206 1 1230 . 1 1 109 109 PRO CA C 13 63.202 0.300 . 1 . . . . 109 PRO CA . 11206 1 1231 . 1 1 109 109 PRO CB C 13 32.244 0.300 . 1 . . . . 109 PRO CB . 11206 1 1232 . 1 1 109 109 PRO CD C 13 49.907 0.300 . 1 . . . . 109 PRO CD . 11206 1 1233 . 1 1 109 109 PRO CG C 13 27.172 0.300 . 1 . . . . 109 PRO CG . 11206 1 1234 . 1 1 110 110 SER HA H 1 4.780 0.030 . 1 . . . . 110 SER HA . 11206 1 1235 . 1 1 110 110 SER HB2 H 1 3.871 0.030 . 2 . . . . 110 SER HB2 . 11206 1 1236 . 1 1 110 110 SER HB3 H 1 3.767 0.030 . 2 . . . . 110 SER HB3 . 11206 1 1237 . 1 1 110 110 SER CA C 13 56.497 0.300 . 1 . . . . 110 SER CA . 11206 1 1238 . 1 1 110 110 SER CB C 13 63.351 0.300 . 1 . . . . 110 SER CB . 11206 1 1239 . 1 1 111 111 SER HA H 1 4.498 0.030 . 1 . . . . 111 SER HA . 11206 1 1240 . 1 1 111 111 SER HB2 H 1 3.893 0.030 . 1 . . . . 111 SER HB2 . 11206 1 1241 . 1 1 111 111 SER HB3 H 1 3.893 0.030 . 1 . . . . 111 SER HB3 . 11206 1 1242 . 1 1 111 111 SER C C 13 173.964 0.300 . 1 . . . . 111 SER C . 11206 1 1243 . 1 1 111 111 SER CA C 13 58.350 0.300 . 1 . . . . 111 SER CA . 11206 1 1244 . 1 1 111 111 SER CB C 13 64.129 0.300 . 1 . . . . 111 SER CB . 11206 1 1245 . 1 1 112 112 GLY H H 1 8.050 0.030 . 1 . . . . 112 GLY H . 11206 1 1246 . 1 1 112 112 GLY HA2 H 1 3.768 0.030 . 1 . . . . 112 GLY HA2 . 11206 1 1247 . 1 1 112 112 GLY HA3 H 1 3.768 0.030 . 1 . . . . 112 GLY HA3 . 11206 1 1248 . 1 1 112 112 GLY C C 13 179.050 0.300 . 1 . . . . 112 GLY C . 11206 1 1249 . 1 1 112 112 GLY CA C 13 46.196 0.300 . 1 . . . . 112 GLY CA . 11206 1 1250 . 1 1 112 112 GLY N N 15 116.890 0.300 . 1 . . . . 112 GLY N . 11206 1 stop_ save_