data_11127 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11127 _Entry.Title ; Solution structure of the 2nd fibronectin type III domain from mouse biregional cell adhesion molecule-related/down-regulated oncogenes (Cdon) binding protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-31 _Entry.Accession_date 2010-03-31 _Entry.Last_release_date 2011-04-01 _Entry.Original_release_date 2011-04-01 _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 T. Tomizawa . . . 11127 2 T. Kigawa . . . 11127 3 S. Koshiba . . . 11127 4 M. Inoue . . . 11127 5 S. Yokoyama . . . 11127 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)' . 11127 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11127 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 506 11127 '15N chemical shifts' 107 11127 '1H chemical shifts' 787 11127 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 . . 2011-04-01 2010-03-31 original author . 11127 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X4Z 'BMRB Entry Tracking System' 11127 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11127 _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 2nd fibronectin type III domain from mouse biregional cell adhesion molecule-related/down-regulated oncogenes (Cdon) binding protein ; _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 T. Tomizawa . . . 11127 1 2 T. Kigawa . . . 11127 1 3 S. Koshiba . . . 11127 1 4 M. Inoue . . . 11127 1 5 S. Yokoyama . . . 11127 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11127 _Assembly.ID 1 _Assembly.Name ; biregional cell adhesion molecule-related/down-regulated oncogenes (Cdon)binding protein ; _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'fibronectin type III (fn3) domain' 1 $entity_1 A . yes native no no . . . 11127 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 1x4z . . . . . . 11127 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11127 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'fibronectin type III (fn3) 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 ; GSSGSSGSQPDHGRLSPPEA PDRPTISTASETSVYVTWIP RGNGGFPIQSFRVEYKKLKK VGDWILATSAIPPSRLSVEI TGLEKGISYKFRVRALNMLG ESEPSAPSRPYVVSGSGPSS G ; _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 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 1X4Z . "Solution Structure Of The 2nd Fibronectin Type Iii Domain From Mouse Biregional Cell Adhesion Molecule-RelatedDOWN- Regulated O" . . . . . 100.00 121 100.00 100.00 4.57e-78 . . . . 11127 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'fibronectin type III (fn3) domain' . 11127 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 . 11127 1 2 . SER . 11127 1 3 . SER . 11127 1 4 . GLY . 11127 1 5 . SER . 11127 1 6 . SER . 11127 1 7 . GLY . 11127 1 8 . SER . 11127 1 9 . GLN . 11127 1 10 . PRO . 11127 1 11 . ASP . 11127 1 12 . HIS . 11127 1 13 . GLY . 11127 1 14 . ARG . 11127 1 15 . LEU . 11127 1 16 . SER . 11127 1 17 . PRO . 11127 1 18 . PRO . 11127 1 19 . GLU . 11127 1 20 . ALA . 11127 1 21 . PRO . 11127 1 22 . ASP . 11127 1 23 . ARG . 11127 1 24 . PRO . 11127 1 25 . THR . 11127 1 26 . ILE . 11127 1 27 . SER . 11127 1 28 . THR . 11127 1 29 . ALA . 11127 1 30 . SER . 11127 1 31 . GLU . 11127 1 32 . THR . 11127 1 33 . SER . 11127 1 34 . VAL . 11127 1 35 . TYR . 11127 1 36 . VAL . 11127 1 37 . THR . 11127 1 38 . TRP . 11127 1 39 . ILE . 11127 1 40 . PRO . 11127 1 41 . ARG . 11127 1 42 . GLY . 11127 1 43 . ASN . 11127 1 44 . GLY . 11127 1 45 . GLY . 11127 1 46 . PHE . 11127 1 47 . PRO . 11127 1 48 . ILE . 11127 1 49 . GLN . 11127 1 50 . SER . 11127 1 51 . PHE . 11127 1 52 . ARG . 11127 1 53 . VAL . 11127 1 54 . GLU . 11127 1 55 . TYR . 11127 1 56 . LYS . 11127 1 57 . LYS . 11127 1 58 . LEU . 11127 1 59 . LYS . 11127 1 60 . LYS . 11127 1 61 . VAL . 11127 1 62 . GLY . 11127 1 63 . ASP . 11127 1 64 . TRP . 11127 1 65 . ILE . 11127 1 66 . LEU . 11127 1 67 . ALA . 11127 1 68 . THR . 11127 1 69 . SER . 11127 1 70 . ALA . 11127 1 71 . ILE . 11127 1 72 . PRO . 11127 1 73 . PRO . 11127 1 74 . SER . 11127 1 75 . ARG . 11127 1 76 . LEU . 11127 1 77 . SER . 11127 1 78 . VAL . 11127 1 79 . GLU . 11127 1 80 . ILE . 11127 1 81 . THR . 11127 1 82 . GLY . 11127 1 83 . LEU . 11127 1 84 . GLU . 11127 1 85 . LYS . 11127 1 86 . GLY . 11127 1 87 . ILE . 11127 1 88 . SER . 11127 1 89 . TYR . 11127 1 90 . LYS . 11127 1 91 . PHE . 11127 1 92 . ARG . 11127 1 93 . VAL . 11127 1 94 . ARG . 11127 1 95 . ALA . 11127 1 96 . LEU . 11127 1 97 . ASN . 11127 1 98 . MET . 11127 1 99 . LEU . 11127 1 100 . GLY . 11127 1 101 . GLU . 11127 1 102 . SER . 11127 1 103 . GLU . 11127 1 104 . PRO . 11127 1 105 . SER . 11127 1 106 . ALA . 11127 1 107 . PRO . 11127 1 108 . SER . 11127 1 109 . ARG . 11127 1 110 . PRO . 11127 1 111 . TYR . 11127 1 112 . VAL . 11127 1 113 . VAL . 11127 1 114 . SER . 11127 1 115 . GLY . 11127 1 116 . SER . 11127 1 117 . GLY . 11127 1 118 . PRO . 11127 1 119 . SER . 11127 1 120 . SER . 11127 1 121 . GLY . 11127 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 11127 1 . SER 2 2 11127 1 . SER 3 3 11127 1 . GLY 4 4 11127 1 . SER 5 5 11127 1 . SER 6 6 11127 1 . GLY 7 7 11127 1 . SER 8 8 11127 1 . GLN 9 9 11127 1 . PRO 10 10 11127 1 . ASP 11 11 11127 1 . HIS 12 12 11127 1 . GLY 13 13 11127 1 . ARG 14 14 11127 1 . LEU 15 15 11127 1 . SER 16 16 11127 1 . PRO 17 17 11127 1 . PRO 18 18 11127 1 . GLU 19 19 11127 1 . ALA 20 20 11127 1 . PRO 21 21 11127 1 . ASP 22 22 11127 1 . ARG 23 23 11127 1 . PRO 24 24 11127 1 . THR 25 25 11127 1 . ILE 26 26 11127 1 . SER 27 27 11127 1 . THR 28 28 11127 1 . ALA 29 29 11127 1 . SER 30 30 11127 1 . GLU 31 31 11127 1 . THR 32 32 11127 1 . SER 33 33 11127 1 . VAL 34 34 11127 1 . TYR 35 35 11127 1 . VAL 36 36 11127 1 . THR 37 37 11127 1 . TRP 38 38 11127 1 . ILE 39 39 11127 1 . PRO 40 40 11127 1 . ARG 41 41 11127 1 . GLY 42 42 11127 1 . ASN 43 43 11127 1 . GLY 44 44 11127 1 . GLY 45 45 11127 1 . PHE 46 46 11127 1 . PRO 47 47 11127 1 . ILE 48 48 11127 1 . GLN 49 49 11127 1 . SER 50 50 11127 1 . PHE 51 51 11127 1 . ARG 52 52 11127 1 . VAL 53 53 11127 1 . GLU 54 54 11127 1 . TYR 55 55 11127 1 . LYS 56 56 11127 1 . LYS 57 57 11127 1 . LEU 58 58 11127 1 . LYS 59 59 11127 1 . LYS 60 60 11127 1 . VAL 61 61 11127 1 . GLY 62 62 11127 1 . ASP 63 63 11127 1 . TRP 64 64 11127 1 . ILE 65 65 11127 1 . LEU 66 66 11127 1 . ALA 67 67 11127 1 . THR 68 68 11127 1 . SER 69 69 11127 1 . ALA 70 70 11127 1 . ILE 71 71 11127 1 . PRO 72 72 11127 1 . PRO 73 73 11127 1 . SER 74 74 11127 1 . ARG 75 75 11127 1 . LEU 76 76 11127 1 . SER 77 77 11127 1 . VAL 78 78 11127 1 . GLU 79 79 11127 1 . ILE 80 80 11127 1 . THR 81 81 11127 1 . GLY 82 82 11127 1 . LEU 83 83 11127 1 . GLU 84 84 11127 1 . LYS 85 85 11127 1 . GLY 86 86 11127 1 . ILE 87 87 11127 1 . SER 88 88 11127 1 . TYR 89 89 11127 1 . LYS 90 90 11127 1 . PHE 91 91 11127 1 . ARG 92 92 11127 1 . VAL 93 93 11127 1 . ARG 94 94 11127 1 . ALA 95 95 11127 1 . LEU 96 96 11127 1 . ASN 97 97 11127 1 . MET 98 98 11127 1 . LEU 99 99 11127 1 . GLY 100 100 11127 1 . GLU 101 101 11127 1 . SER 102 102 11127 1 . GLU 103 103 11127 1 . PRO 104 104 11127 1 . SER 105 105 11127 1 . ALA 106 106 11127 1 . PRO 107 107 11127 1 . SER 108 108 11127 1 . ARG 109 109 11127 1 . PRO 110 110 11127 1 . TYR 111 111 11127 1 . VAL 112 112 11127 1 . VAL 113 113 11127 1 . SER 114 114 11127 1 . GLY 115 115 11127 1 . SER 116 116 11127 1 . GLY 117 117 11127 1 . PRO 118 118 11127 1 . SER 119 119 11127 1 . SER 120 120 11127 1 . GLY 121 121 11127 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 11127 _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 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryotase Metazoaouse Mus musculususe . . . . . . . . . . . . . . . . . . . . . 11127 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 11127 _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' . . 562 Escherichia coli . . . . . . . . . . . . . . . . P040719-11 . . . . . . 11127 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11127 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.43mM fn3 domain {U-15N,13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'fn3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.43 . . mM . . . . 11127 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11127 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11127 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11127 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11127 1 6 H2O . . . . . . solvent 90 . . % . . . . 11127 1 7 D2O . . . . . . solvent 10 . . % . . . . 11127 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 11127 _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 11127 1 pH 7.0 0.05 pH 11127 1 pressure 1 0.001 atm 11127 1 temperature 296 0.1 K 11127 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11127 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11127 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11127 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11127 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11127 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11127 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11127 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11127 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11127 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11127 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11127 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11127 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11127 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11127 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11127 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 11127 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11127 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11127 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 11127 _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 . . . . . . . . . . . . . . . . 11127 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11127 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 11127 _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 . . . . . . . . . 11127 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11127 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11127 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 11127 _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 11127 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11127 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 $XWINNMR . . 11127 1 2 $NMRPipe . . 11127 1 3 $NMRview . . 11127 1 4 $Kujira . . 11127 1 5 $CYANA . . 11127 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.756 0.030 . 1 . . . . 1 GLY HA2 . 11127 1 2 . 1 1 1 1 GLY HA3 H 1 3.756 0.030 . 1 . . . . 1 GLY HA3 . 11127 1 3 . 1 1 1 1 GLY CA C 13 41.383 0.300 . 1 . . . . 1 GLY CA . 11127 1 4 . 1 1 6 6 SER HA H 1 4.401 0.030 . 1 . . . . 6 SER HA . 11127 1 5 . 1 1 6 6 SER HB2 H 1 3.798 0.030 . 1 . . . . 6 SER HB2 . 11127 1 6 . 1 1 6 6 SER HB3 H 1 3.798 0.030 . 1 . . . . 6 SER HB3 . 11127 1 7 . 1 1 6 6 SER C C 13 172.718 0.300 . 1 . . . . 6 SER C . 11127 1 8 . 1 1 6 6 SER CA C 13 56.261 0.300 . 1 . . . . 6 SER CA . 11127 1 9 . 1 1 6 6 SER CB C 13 61.363 0.300 . 1 . . . . 6 SER CB . 11127 1 10 . 1 1 7 7 GLY H H 1 8.310 0.030 . 1 . . . . 7 GLY H . 11127 1 11 . 1 1 7 7 GLY HA2 H 1 3.782 0.030 . 1 . . . . 7 GLY HA2 . 11127 1 12 . 1 1 7 7 GLY HA3 H 1 3.782 0.030 . 1 . . . . 7 GLY HA3 . 11127 1 13 . 1 1 7 7 GLY C C 13 171.786 0.300 . 1 . . . . 7 GLY C . 11127 1 14 . 1 1 7 7 GLY CA C 13 43.118 0.300 . 1 . . . . 7 GLY CA . 11127 1 15 . 1 1 7 7 GLY N N 15 109.157 0.300 . 1 . . . . 7 GLY N . 11127 1 16 . 1 1 8 8 SER H H 1 8.101 0.030 . 1 . . . . 8 SER H . 11127 1 17 . 1 1 8 8 SER HA H 1 4.353 0.030 . 1 . . . . 8 SER HA . 11127 1 18 . 1 1 8 8 SER HB2 H 1 3.727 0.030 . 1 . . . . 8 SER HB2 . 11127 1 19 . 1 1 8 8 SER HB3 H 1 3.727 0.030 . 1 . . . . 8 SER HB3 . 11127 1 20 . 1 1 8 8 SER C C 13 171.858 0.300 . 1 . . . . 8 SER C . 11127 1 21 . 1 1 8 8 SER CA C 13 55.810 0.300 . 1 . . . . 8 SER CA . 11127 1 22 . 1 1 8 8 SER CB C 13 61.445 0.300 . 1 . . . . 8 SER CB . 11127 1 23 . 1 1 8 8 SER N N 15 115.207 0.300 . 1 . . . . 8 SER N . 11127 1 24 . 1 1 9 9 GLN H H 1 8.294 0.030 . 1 . . . . 9 GLN H . 11127 1 25 . 1 1 9 9 GLN HA H 1 4.537 0.030 . 1 . . . . 9 GLN HA . 11127 1 26 . 1 1 9 9 GLN HB2 H 1 1.801 0.030 . 2 . . . . 9 GLN HB2 . 11127 1 27 . 1 1 9 9 GLN HB3 H 1 1.994 0.030 . 2 . . . . 9 GLN HB3 . 11127 1 28 . 1 1 9 9 GLN HE21 H 1 7.434 0.030 . 2 . . . . 9 GLN HE21 . 11127 1 29 . 1 1 9 9 GLN HE22 H 1 6.755 0.030 . 2 . . . . 9 GLN HE22 . 11127 1 30 . 1 1 9 9 GLN HG2 H 1 2.273 0.030 . 1 . . . . 9 GLN HG2 . 11127 1 31 . 1 1 9 9 GLN HG3 H 1 2.273 0.030 . 1 . . . . 9 GLN HG3 . 11127 1 32 . 1 1 9 9 GLN C C 13 171.719 0.300 . 1 . . . . 9 GLN C . 11127 1 33 . 1 1 9 9 GLN CA C 13 51.280 0.300 . 1 . . . . 9 GLN CA . 11127 1 34 . 1 1 9 9 GLN CB C 13 26.575 0.300 . 1 . . . . 9 GLN CB . 11127 1 35 . 1 1 9 9 GLN CG C 13 31.012 0.300 . 1 . . . . 9 GLN CG . 11127 1 36 . 1 1 9 9 GLN N N 15 122.426 0.300 . 1 . . . . 9 GLN N . 11127 1 37 . 1 1 9 9 GLN NE2 N 15 112.295 0.300 . 1 . . . . 9 GLN NE2 . 11127 1 38 . 1 1 10 10 PRO HA H 1 4.260 0.030 . 1 . . . . 10 PRO HA . 11127 1 39 . 1 1 10 10 PRO HB2 H 1 2.110 0.030 . 2 . . . . 10 PRO HB2 . 11127 1 40 . 1 1 10 10 PRO HB3 H 1 1.631 0.030 . 2 . . . . 10 PRO HB3 . 11127 1 41 . 1 1 10 10 PRO HD2 H 1 3.537 0.030 . 2 . . . . 10 PRO HD2 . 11127 1 42 . 1 1 10 10 PRO HD3 H 1 3.658 0.030 . 2 . . . . 10 PRO HD3 . 11127 1 43 . 1 1 10 10 PRO HG2 H 1 1.861 0.030 . 1 . . . . 10 PRO HG2 . 11127 1 44 . 1 1 10 10 PRO HG3 H 1 1.861 0.030 . 1 . . . . 10 PRO HG3 . 11127 1 45 . 1 1 10 10 PRO C C 13 171.109 0.300 . 1 . . . . 10 PRO C . 11127 1 46 . 1 1 10 10 PRO CA C 13 60.897 0.300 . 1 . . . . 10 PRO CA . 11127 1 47 . 1 1 10 10 PRO CB C 13 29.772 0.300 . 1 . . . . 10 PRO CB . 11127 1 48 . 1 1 10 10 PRO CD C 13 48.289 0.300 . 1 . . . . 10 PRO CD . 11127 1 49 . 1 1 10 10 PRO CG C 13 25.076 0.300 . 1 . . . . 10 PRO CG . 11127 1 50 . 1 1 11 11 ASP H H 1 8.309 0.030 . 1 . . . . 11 ASP H . 11127 1 51 . 1 1 11 11 ASP HA H 1 4.417 0.030 . 1 . . . . 11 ASP HA . 11127 1 52 . 1 1 11 11 ASP HB2 H 1 2.491 0.030 . 2 . . . . 11 ASP HB2 . 11127 1 53 . 1 1 11 11 ASP HB3 H 1 2.546 0.030 . 2 . . . . 11 ASP HB3 . 11127 1 54 . 1 1 11 11 ASP C C 13 171.364 0.300 . 1 . . . . 11 ASP C . 11127 1 55 . 1 1 11 11 ASP CA C 13 51.762 0.300 . 1 . . . . 11 ASP CA . 11127 1 56 . 1 1 11 11 ASP CB C 13 38.666 0.300 . 1 . . . . 11 ASP CB . 11127 1 57 . 1 1 11 11 ASP N N 15 119.862 0.300 . 1 . . . . 11 ASP N . 11127 1 58 . 1 1 12 12 HIS H H 1 8.049 0.030 . 1 . . . . 12 HIS H . 11127 1 59 . 1 1 12 12 HIS HA H 1 4.463 0.030 . 1 . . . . 12 HIS HA . 11127 1 60 . 1 1 12 12 HIS HB2 H 1 2.988 0.030 . 2 . . . . 12 HIS HB2 . 11127 1 61 . 1 1 12 12 HIS HB3 H 1 3.091 0.030 . 2 . . . . 12 HIS HB3 . 11127 1 62 . 1 1 12 12 HIS HD2 H 1 6.941 0.030 . 1 . . . . 12 HIS HD2 . 11127 1 63 . 1 1 12 12 HIS HE1 H 1 7.805 0.030 . 1 . . . . 12 HIS HE1 . 11127 1 64 . 1 1 12 12 HIS C C 13 173.152 0.300 . 1 . . . . 12 HIS C . 11127 1 65 . 1 1 12 12 HIS CA C 13 54.082 0.300 . 1 . . . . 12 HIS CA . 11127 1 66 . 1 1 12 12 HIS CB C 13 28.061 0.300 . 1 . . . . 12 HIS CB . 11127 1 67 . 1 1 12 12 HIS CD2 C 13 117.692 0.300 . 1 . . . . 12 HIS CD2 . 11127 1 68 . 1 1 12 12 HIS CE1 C 13 135.924 0.300 . 1 . . . . 12 HIS CE1 . 11127 1 69 . 1 1 12 12 HIS N N 15 119.546 0.300 . 1 . . . . 12 HIS N . 11127 1 70 . 1 1 13 13 GLY HA2 H 1 3.785 0.030 . 1 . . . . 13 GLY HA2 . 11127 1 71 . 1 1 13 13 GLY HA3 H 1 3.785 0.030 . 1 . . . . 13 GLY HA3 . 11127 1 72 . 1 1 13 13 GLY C C 13 171.558 0.300 . 1 . . . . 13 GLY C . 11127 1 73 . 1 1 13 13 GLY CA C 13 43.155 0.300 . 1 . . . . 13 GLY CA . 11127 1 74 . 1 1 14 14 ARG H H 1 8.037 0.030 . 1 . . . . 14 ARG H . 11127 1 75 . 1 1 14 14 ARG HA H 1 4.215 0.030 . 1 . . . . 14 ARG HA . 11127 1 76 . 1 1 14 14 ARG HB2 H 1 1.624 0.030 . 2 . . . . 14 ARG HB2 . 11127 1 77 . 1 1 14 14 ARG HB3 H 1 1.706 0.030 . 2 . . . . 14 ARG HB3 . 11127 1 78 . 1 1 14 14 ARG HD2 H 1 3.077 0.030 . 1 . . . . 14 ARG HD2 . 11127 1 79 . 1 1 14 14 ARG HD3 H 1 3.077 0.030 . 1 . . . . 14 ARG HD3 . 11127 1 80 . 1 1 14 14 ARG HG2 H 1 1.437 0.030 . 2 . . . . 14 ARG HG2 . 11127 1 81 . 1 1 14 14 ARG HG3 H 1 1.496 0.030 . 2 . . . . 14 ARG HG3 . 11127 1 82 . 1 1 14 14 ARG C C 13 173.394 0.300 . 1 . . . . 14 ARG C . 11127 1 83 . 1 1 14 14 ARG CA C 13 53.715 0.300 . 1 . . . . 14 ARG CA . 11127 1 84 . 1 1 14 14 ARG CB C 13 28.539 0.300 . 1 . . . . 14 ARG CB . 11127 1 85 . 1 1 14 14 ARG CD C 13 40.989 0.300 . 1 . . . . 14 ARG CD . 11127 1 86 . 1 1 14 14 ARG CG C 13 24.762 0.300 . 1 . . . . 14 ARG CG . 11127 1 87 . 1 1 14 14 ARG N N 15 120.478 0.300 . 1 . . . . 14 ARG N . 11127 1 88 . 1 1 15 15 LEU H H 1 8.047 0.030 . 1 . . . . 15 LEU H . 11127 1 89 . 1 1 15 15 LEU HA H 1 4.718 0.030 . 1 . . . . 15 LEU HA . 11127 1 90 . 1 1 15 15 LEU HB2 H 1 1.654 0.030 . 2 . . . . 15 LEU HB2 . 11127 1 91 . 1 1 15 15 LEU HB3 H 1 1.322 0.030 . 2 . . . . 15 LEU HB3 . 11127 1 92 . 1 1 15 15 LEU HD11 H 1 0.735 0.030 . 1 . . . . 15 LEU HD1 . 11127 1 93 . 1 1 15 15 LEU HD12 H 1 0.735 0.030 . 1 . . . . 15 LEU HD1 . 11127 1 94 . 1 1 15 15 LEU HD13 H 1 0.735 0.030 . 1 . . . . 15 LEU HD1 . 11127 1 95 . 1 1 15 15 LEU HD21 H 1 0.573 0.030 . 1 . . . . 15 LEU HD2 . 11127 1 96 . 1 1 15 15 LEU HD22 H 1 0.573 0.030 . 1 . . . . 15 LEU HD2 . 11127 1 97 . 1 1 15 15 LEU HD23 H 1 0.573 0.030 . 1 . . . . 15 LEU HD2 . 11127 1 98 . 1 1 15 15 LEU HG H 1 1.523 0.030 . 1 . . . . 15 LEU HG . 11127 1 99 . 1 1 15 15 LEU C C 13 174.091 0.300 . 1 . . . . 15 LEU C . 11127 1 100 . 1 1 15 15 LEU CA C 13 51.960 0.300 . 1 . . . . 15 LEU CA . 11127 1 101 . 1 1 15 15 LEU CB C 13 39.911 0.300 . 1 . . . . 15 LEU CB . 11127 1 102 . 1 1 15 15 LEU CD1 C 13 23.111 0.300 . 2 . . . . 15 LEU CD1 . 11127 1 103 . 1 1 15 15 LEU CD2 C 13 20.627 0.300 . 2 . . . . 15 LEU CD2 . 11127 1 104 . 1 1 15 15 LEU CG C 13 24.490 0.300 . 1 . . . . 15 LEU CG . 11127 1 105 . 1 1 15 15 LEU N N 15 124.408 0.300 . 1 . . . . 15 LEU N . 11127 1 106 . 1 1 16 16 SER H H 1 9.249 0.030 . 1 . . . . 16 SER H . 11127 1 107 . 1 1 16 16 SER HA H 1 4.845 0.030 . 1 . . . . 16 SER HA . 11127 1 108 . 1 1 16 16 SER HB2 H 1 3.958 0.030 . 2 . . . . 16 SER HB2 . 11127 1 109 . 1 1 16 16 SER HB3 H 1 3.568 0.030 . 2 . . . . 16 SER HB3 . 11127 1 110 . 1 1 16 16 SER C C 13 168.976 0.300 . 1 . . . . 16 SER C . 11127 1 111 . 1 1 16 16 SER CA C 13 55.219 0.300 . 1 . . . . 16 SER CA . 11127 1 112 . 1 1 16 16 SER CB C 13 63.204 0.300 . 1 . . . . 16 SER CB . 11127 1 113 . 1 1 16 16 SER N N 15 120.014 0.300 . 1 . . . . 16 SER N . 11127 1 114 . 1 1 17 17 PRO HA H 1 4.830 0.030 . 1 . . . . 17 PRO HA . 11127 1 115 . 1 1 17 17 PRO HB2 H 1 1.753 0.030 . 2 . . . . 17 PRO HB2 . 11127 1 116 . 1 1 17 17 PRO HB3 H 1 1.295 0.030 . 2 . . . . 17 PRO HB3 . 11127 1 117 . 1 1 17 17 PRO HD2 H 1 3.461 0.030 . 2 . . . . 17 PRO HD2 . 11127 1 118 . 1 1 17 17 PRO HD3 H 1 3.600 0.030 . 2 . . . . 17 PRO HD3 . 11127 1 119 . 1 1 17 17 PRO HG2 H 1 1.888 0.030 . 2 . . . . 17 PRO HG2 . 11127 1 120 . 1 1 17 17 PRO HG3 H 1 1.364 0.030 . 2 . . . . 17 PRO HG3 . 11127 1 121 . 1 1 17 17 PRO CA C 13 59.724 0.300 . 1 . . . . 17 PRO CA . 11127 1 122 . 1 1 17 17 PRO CB C 13 27.807 0.300 . 1 . . . . 17 PRO CB . 11127 1 123 . 1 1 17 17 PRO CD C 13 48.447 0.300 . 1 . . . . 17 PRO CD . 11127 1 124 . 1 1 17 17 PRO CG C 13 25.831 0.300 . 1 . . . . 17 PRO CG . 11127 1 125 . 1 1 18 18 PRO HA H 1 3.795 0.030 . 1 . . . . 18 PRO HA . 11127 1 126 . 1 1 18 18 PRO HB2 H 1 1.673 0.030 . 2 . . . . 18 PRO HB2 . 11127 1 127 . 1 1 18 18 PRO HB3 H 1 2.320 0.030 . 2 . . . . 18 PRO HB3 . 11127 1 128 . 1 1 18 18 PRO HD2 H 1 3.020 0.030 . 2 . . . . 18 PRO HD2 . 11127 1 129 . 1 1 18 18 PRO HD3 H 1 3.608 0.030 . 2 . . . . 18 PRO HD3 . 11127 1 130 . 1 1 18 18 PRO HG2 H 1 1.359 0.030 . 2 . . . . 18 PRO HG2 . 11127 1 131 . 1 1 18 18 PRO HG3 H 1 1.581 0.030 . 2 . . . . 18 PRO HG3 . 11127 1 132 . 1 1 18 18 PRO C C 13 172.740 0.300 . 1 . . . . 18 PRO C . 11127 1 133 . 1 1 18 18 PRO CA C 13 59.418 0.300 . 1 . . . . 18 PRO CA . 11127 1 134 . 1 1 18 18 PRO CB C 13 30.020 0.300 . 1 . . . . 18 PRO CB . 11127 1 135 . 1 1 18 18 PRO CD C 13 47.989 0.300 . 1 . . . . 18 PRO CD . 11127 1 136 . 1 1 18 18 PRO CG C 13 26.429 0.300 . 1 . . . . 18 PRO CG . 11127 1 137 . 1 1 19 19 GLU H H 1 7.468 0.030 . 1 . . . . 19 GLU H . 11127 1 138 . 1 1 19 19 GLU HA H 1 3.951 0.030 . 1 . . . . 19 GLU HA . 11127 1 139 . 1 1 19 19 GLU HB2 H 1 1.882 0.030 . 1 . . . . 19 GLU HB2 . 11127 1 140 . 1 1 19 19 GLU HB3 H 1 1.882 0.030 . 1 . . . . 19 GLU HB3 . 11127 1 141 . 1 1 19 19 GLU HG2 H 1 2.240 0.030 . 1 . . . . 19 GLU HG2 . 11127 1 142 . 1 1 19 19 GLU HG3 H 1 2.240 0.030 . 1 . . . . 19 GLU HG3 . 11127 1 143 . 1 1 19 19 GLU C C 13 174.422 0.300 . 1 . . . . 19 GLU C . 11127 1 144 . 1 1 19 19 GLU CA C 13 53.484 0.300 . 1 . . . . 19 GLU CA . 11127 1 145 . 1 1 19 19 GLU CB C 13 28.786 0.300 . 1 . . . . 19 GLU CB . 11127 1 146 . 1 1 19 19 GLU CG C 13 34.504 0.300 . 1 . . . . 19 GLU CG . 11127 1 147 . 1 1 19 19 GLU N N 15 117.558 0.300 . 1 . . . . 19 GLU N . 11127 1 148 . 1 1 20 20 ALA H H 1 8.487 0.030 . 1 . . . . 20 ALA H . 11127 1 149 . 1 1 20 20 ALA HA H 1 4.354 0.030 . 1 . . . . 20 ALA HA . 11127 1 150 . 1 1 20 20 ALA HB1 H 1 0.964 0.030 . 1 . . . . 20 ALA HB . 11127 1 151 . 1 1 20 20 ALA HB2 H 1 0.964 0.030 . 1 . . . . 20 ALA HB . 11127 1 152 . 1 1 20 20 ALA HB3 H 1 0.964 0.030 . 1 . . . . 20 ALA HB . 11127 1 153 . 1 1 20 20 ALA C C 13 174.220 0.300 . 1 . . . . 20 ALA C . 11127 1 154 . 1 1 20 20 ALA CA C 13 48.796 0.300 . 1 . . . . 20 ALA CA . 11127 1 155 . 1 1 20 20 ALA CB C 13 16.207 0.300 . 1 . . . . 20 ALA CB . 11127 1 156 . 1 1 20 20 ALA N N 15 126.010 0.300 . 1 . . . . 20 ALA N . 11127 1 157 . 1 1 21 21 PRO HA H 1 4.371 0.030 . 1 . . . . 21 PRO HA . 11127 1 158 . 1 1 21 21 PRO HB2 H 1 1.629 0.030 . 2 . . . . 21 PRO HB2 . 11127 1 159 . 1 1 21 21 PRO HB3 H 1 2.214 0.030 . 2 . . . . 21 PRO HB3 . 11127 1 160 . 1 1 21 21 PRO HD2 H 1 3.320 0.030 . 2 . . . . 21 PRO HD2 . 11127 1 161 . 1 1 21 21 PRO HD3 H 1 4.107 0.030 . 2 . . . . 21 PRO HD3 . 11127 1 162 . 1 1 21 21 PRO HG2 H 1 1.434 0.030 . 2 . . . . 21 PRO HG2 . 11127 1 163 . 1 1 21 21 PRO HG3 H 1 1.760 0.030 . 2 . . . . 21 PRO HG3 . 11127 1 164 . 1 1 21 21 PRO C C 13 174.160 0.300 . 1 . . . . 21 PRO C . 11127 1 165 . 1 1 21 21 PRO CA C 13 59.504 0.300 . 1 . . . . 21 PRO CA . 11127 1 166 . 1 1 21 21 PRO CB C 13 30.358 0.300 . 1 . . . . 21 PRO CB . 11127 1 167 . 1 1 21 21 PRO CD C 13 47.741 0.300 . 1 . . . . 21 PRO CD . 11127 1 168 . 1 1 21 21 PRO CG C 13 25.728 0.300 . 1 . . . . 21 PRO CG . 11127 1 169 . 1 1 22 22 ASP H H 1 7.949 0.030 . 1 . . . . 22 ASP H . 11127 1 170 . 1 1 22 22 ASP HA H 1 4.320 0.030 . 1 . . . . 22 ASP HA . 11127 1 171 . 1 1 22 22 ASP HB2 H 1 2.794 0.030 . 2 . . . . 22 ASP HB2 . 11127 1 172 . 1 1 22 22 ASP HB3 H 1 2.545 0.030 . 2 . . . . 22 ASP HB3 . 11127 1 173 . 1 1 22 22 ASP C C 13 173.939 0.300 . 1 . . . . 22 ASP C . 11127 1 174 . 1 1 22 22 ASP CA C 13 51.762 0.300 . 1 . . . . 22 ASP CA . 11127 1 175 . 1 1 22 22 ASP CB C 13 40.132 0.300 . 1 . . . . 22 ASP CB . 11127 1 176 . 1 1 22 22 ASP N N 15 117.397 0.300 . 1 . . . . 22 ASP N . 11127 1 177 . 1 1 23 23 ARG H H 1 7.652 0.030 . 1 . . . . 23 ARG H . 11127 1 178 . 1 1 23 23 ARG HA H 1 4.335 0.030 . 1 . . . . 23 ARG HA . 11127 1 179 . 1 1 23 23 ARG HB2 H 1 1.640 0.030 . 2 . . . . 23 ARG HB2 . 11127 1 180 . 1 1 23 23 ARG HB3 H 1 1.707 0.030 . 2 . . . . 23 ARG HB3 . 11127 1 181 . 1 1 23 23 ARG HD2 H 1 3.237 0.030 . 2 . . . . 23 ARG HD2 . 11127 1 182 . 1 1 23 23 ARG HD3 H 1 3.119 0.030 . 2 . . . . 23 ARG HD3 . 11127 1 183 . 1 1 23 23 ARG HG2 H 1 1.491 0.030 . 2 . . . . 23 ARG HG2 . 11127 1 184 . 1 1 23 23 ARG HG3 H 1 1.434 0.030 . 2 . . . . 23 ARG HG3 . 11127 1 185 . 1 1 23 23 ARG C C 13 173.759 0.300 . 1 . . . . 23 ARG C . 11127 1 186 . 1 1 23 23 ARG CA C 13 51.526 0.300 . 1 . . . . 23 ARG CA . 11127 1 187 . 1 1 23 23 ARG CB C 13 29.528 0.300 . 1 . . . . 23 ARG CB . 11127 1 188 . 1 1 23 23 ARG CD C 13 41.910 0.300 . 1 . . . . 23 ARG CD . 11127 1 189 . 1 1 23 23 ARG CG C 13 23.469 0.300 . 1 . . . . 23 ARG CG . 11127 1 190 . 1 1 23 23 ARG N N 15 118.628 0.300 . 1 . . . . 23 ARG N . 11127 1 191 . 1 1 24 24 PRO HA H 1 5.166 0.030 . 1 . . . . 24 PRO HA . 11127 1 192 . 1 1 24 24 PRO HB2 H 1 1.829 0.030 . 2 . . . . 24 PRO HB2 . 11127 1 193 . 1 1 24 24 PRO HB3 H 1 2.067 0.030 . 2 . . . . 24 PRO HB3 . 11127 1 194 . 1 1 24 24 PRO HD2 H 1 3.961 0.030 . 2 . . . . 24 PRO HD2 . 11127 1 195 . 1 1 24 24 PRO HD3 H 1 4.008 0.030 . 2 . . . . 24 PRO HD3 . 11127 1 196 . 1 1 24 24 PRO HG2 H 1 1.593 0.030 . 2 . . . . 24 PRO HG2 . 11127 1 197 . 1 1 24 24 PRO HG3 H 1 1.854 0.030 . 2 . . . . 24 PRO HG3 . 11127 1 198 . 1 1 24 24 PRO C C 13 173.860 0.300 . 1 . . . . 24 PRO C . 11127 1 199 . 1 1 24 24 PRO CA C 13 60.255 0.300 . 1 . . . . 24 PRO CA . 11127 1 200 . 1 1 24 24 PRO CB C 13 31.525 0.300 . 1 . . . . 24 PRO CB . 11127 1 201 . 1 1 24 24 PRO CD C 13 48.517 0.300 . 1 . . . . 24 PRO CD . 11127 1 202 . 1 1 24 24 PRO CG C 13 25.571 0.300 . 1 . . . . 24 PRO CG . 11127 1 203 . 1 1 25 25 THR H H 1 9.143 0.030 . 1 . . . . 25 THR H . 11127 1 204 . 1 1 25 25 THR HA H 1 4.407 0.030 . 1 . . . . 25 THR HA . 11127 1 205 . 1 1 25 25 THR HB H 1 3.996 0.030 . 1 . . . . 25 THR HB . 11127 1 206 . 1 1 25 25 THR HG21 H 1 1.122 0.030 . 1 . . . . 25 THR HG2 . 11127 1 207 . 1 1 25 25 THR HG22 H 1 1.122 0.030 . 1 . . . . 25 THR HG2 . 11127 1 208 . 1 1 25 25 THR HG23 H 1 1.122 0.030 . 1 . . . . 25 THR HG2 . 11127 1 209 . 1 1 25 25 THR C C 13 171.171 0.300 . 1 . . . . 25 THR C . 11127 1 210 . 1 1 25 25 THR CA C 13 58.674 0.300 . 1 . . . . 25 THR CA . 11127 1 211 . 1 1 25 25 THR CB C 13 68.027 0.300 . 1 . . . . 25 THR CB . 11127 1 212 . 1 1 25 25 THR CG2 C 13 19.869 0.300 . 1 . . . . 25 THR CG2 . 11127 1 213 . 1 1 25 25 THR N N 15 112.818 0.300 . 1 . . . . 25 THR N . 11127 1 214 . 1 1 26 26 ILE H H 1 8.794 0.030 . 1 . . . . 26 ILE H . 11127 1 215 . 1 1 26 26 ILE HA H 1 4.923 0.030 . 1 . . . . 26 ILE HA . 11127 1 216 . 1 1 26 26 ILE HB H 1 2.100 0.030 . 1 . . . . 26 ILE HB . 11127 1 217 . 1 1 26 26 ILE HD11 H 1 0.433 0.030 . 1 . . . . 26 ILE HD1 . 11127 1 218 . 1 1 26 26 ILE HD12 H 1 0.433 0.030 . 1 . . . . 26 ILE HD1 . 11127 1 219 . 1 1 26 26 ILE HD13 H 1 0.433 0.030 . 1 . . . . 26 ILE HD1 . 11127 1 220 . 1 1 26 26 ILE HG12 H 1 1.419 0.030 . 2 . . . . 26 ILE HG12 . 11127 1 221 . 1 1 26 26 ILE HG13 H 1 1.669 0.030 . 2 . . . . 26 ILE HG13 . 11127 1 222 . 1 1 26 26 ILE HG21 H 1 0.127 0.030 . 1 . . . . 26 ILE HG2 . 11127 1 223 . 1 1 26 26 ILE HG22 H 1 0.127 0.030 . 1 . . . . 26 ILE HG2 . 11127 1 224 . 1 1 26 26 ILE HG23 H 1 0.127 0.030 . 1 . . . . 26 ILE HG2 . 11127 1 225 . 1 1 26 26 ILE C C 13 173.508 0.300 . 1 . . . . 26 ILE C . 11127 1 226 . 1 1 26 26 ILE CA C 13 55.591 0.300 . 1 . . . . 26 ILE CA . 11127 1 227 . 1 1 26 26 ILE CB C 13 34.787 0.300 . 1 . . . . 26 ILE CB . 11127 1 228 . 1 1 26 26 ILE CD1 C 13 9.422 0.300 . 1 . . . . 26 ILE CD1 . 11127 1 229 . 1 1 26 26 ILE CG1 C 13 24.863 0.300 . 1 . . . . 26 ILE CG1 . 11127 1 230 . 1 1 26 26 ILE CG2 C 13 16.014 0.300 . 1 . . . . 26 ILE CG2 . 11127 1 231 . 1 1 26 26 ILE N N 15 125.499 0.300 . 1 . . . . 26 ILE N . 11127 1 232 . 1 1 27 27 SER H H 1 8.619 0.030 . 1 . . . . 27 SER H . 11127 1 233 . 1 1 27 27 SER HA H 1 4.889 0.030 . 1 . . . . 27 SER HA . 11127 1 234 . 1 1 27 27 SER HB2 H 1 3.804 0.030 . 2 . . . . 27 SER HB2 . 11127 1 235 . 1 1 27 27 SER HB3 H 1 3.830 0.030 . 2 . . . . 27 SER HB3 . 11127 1 236 . 1 1 27 27 SER C C 13 170.905 0.300 . 1 . . . . 27 SER C . 11127 1 237 . 1 1 27 27 SER CA C 13 53.863 0.300 . 1 . . . . 27 SER CA . 11127 1 238 . 1 1 27 27 SER CB C 13 63.642 0.300 . 1 . . . . 27 SER CB . 11127 1 239 . 1 1 27 27 SER N N 15 119.776 0.300 . 1 . . . . 27 SER N . 11127 1 240 . 1 1 28 28 THR H H 1 8.938 0.030 . 1 . . . . 28 THR H . 11127 1 241 . 1 1 28 28 THR HA H 1 3.836 0.030 . 1 . . . . 28 THR HA . 11127 1 242 . 1 1 28 28 THR HB H 1 3.947 0.030 . 1 . . . . 28 THR HB . 11127 1 243 . 1 1 28 28 THR HG21 H 1 1.158 0.030 . 1 . . . . 28 THR HG2 . 11127 1 244 . 1 1 28 28 THR HG22 H 1 1.158 0.030 . 1 . . . . 28 THR HG2 . 11127 1 245 . 1 1 28 28 THR HG23 H 1 1.158 0.030 . 1 . . . . 28 THR HG2 . 11127 1 246 . 1 1 28 28 THR C C 13 170.600 0.300 . 1 . . . . 28 THR C . 11127 1 247 . 1 1 28 28 THR CA C 13 63.346 0.300 . 1 . . . . 28 THR CA . 11127 1 248 . 1 1 28 28 THR CB C 13 67.649 0.300 . 1 . . . . 28 THR CB . 11127 1 249 . 1 1 28 28 THR CG2 C 13 20.085 0.300 . 1 . . . . 28 THR CG2 . 11127 1 250 . 1 1 28 28 THR N N 15 120.378 0.300 . 1 . . . . 28 THR N . 11127 1 251 . 1 1 29 29 ALA H H 1 7.886 0.030 . 1 . . . . 29 ALA H . 11127 1 252 . 1 1 29 29 ALA HA H 1 4.283 0.030 . 1 . . . . 29 ALA HA . 11127 1 253 . 1 1 29 29 ALA HB1 H 1 0.187 0.030 . 1 . . . . 29 ALA HB . 11127 1 254 . 1 1 29 29 ALA HB2 H 1 0.187 0.030 . 1 . . . . 29 ALA HB . 11127 1 255 . 1 1 29 29 ALA HB3 H 1 0.187 0.030 . 1 . . . . 29 ALA HB . 11127 1 256 . 1 1 29 29 ALA C C 13 173.652 0.300 . 1 . . . . 29 ALA C . 11127 1 257 . 1 1 29 29 ALA CA C 13 50.545 0.300 . 1 . . . . 29 ALA CA . 11127 1 258 . 1 1 29 29 ALA CB C 13 16.191 0.300 . 1 . . . . 29 ALA CB . 11127 1 259 . 1 1 29 29 ALA N N 15 129.557 0.300 . 1 . . . . 29 ALA N . 11127 1 260 . 1 1 30 30 SER H H 1 7.955 0.030 . 1 . . . . 30 SER H . 11127 1 261 . 1 1 30 30 SER HA H 1 4.506 0.030 . 1 . . . . 30 SER HA . 11127 1 262 . 1 1 30 30 SER HB2 H 1 3.884 0.030 . 2 . . . . 30 SER HB2 . 11127 1 263 . 1 1 30 30 SER HB3 H 1 3.972 0.030 . 2 . . . . 30 SER HB3 . 11127 1 264 . 1 1 30 30 SER C C 13 171.098 0.300 . 1 . . . . 30 SER C . 11127 1 265 . 1 1 30 30 SER CA C 13 55.802 0.300 . 1 . . . . 30 SER CA . 11127 1 266 . 1 1 30 30 SER CB C 13 62.352 0.300 . 1 . . . . 30 SER CB . 11127 1 267 . 1 1 30 30 SER N N 15 114.527 0.300 . 1 . . . . 30 SER N . 11127 1 268 . 1 1 31 31 GLU H H 1 8.880 0.030 . 1 . . . . 31 GLU H . 11127 1 269 . 1 1 31 31 GLU HA H 1 4.009 0.030 . 1 . . . . 31 GLU HA . 11127 1 270 . 1 1 31 31 GLU HB2 H 1 2.014 0.030 . 1 . . . . 31 GLU HB2 . 11127 1 271 . 1 1 31 31 GLU HB3 H 1 2.014 0.030 . 1 . . . . 31 GLU HB3 . 11127 1 272 . 1 1 31 31 GLU HG2 H 1 2.303 0.030 . 1 . . . . 31 GLU HG2 . 11127 1 273 . 1 1 31 31 GLU HG3 H 1 2.303 0.030 . 1 . . . . 31 GLU HG3 . 11127 1 274 . 1 1 31 31 GLU C C 13 174.876 0.300 . 1 . . . . 31 GLU C . 11127 1 275 . 1 1 31 31 GLU CA C 13 57.508 0.300 . 1 . . . . 31 GLU CA . 11127 1 276 . 1 1 31 31 GLU CB C 13 27.715 0.300 . 1 . . . . 31 GLU CB . 11127 1 277 . 1 1 31 31 GLU CG C 13 34.454 0.300 . 1 . . . . 31 GLU CG . 11127 1 278 . 1 1 31 31 GLU N N 15 116.816 0.300 . 1 . . . . 31 GLU N . 11127 1 279 . 1 1 32 32 THR H H 1 7.526 0.030 . 1 . . . . 32 THR H . 11127 1 280 . 1 1 32 32 THR HA H 1 4.360 0.030 . 1 . . . . 32 THR HA . 11127 1 281 . 1 1 32 32 THR HB H 1 4.819 0.030 . 1 . . . . 32 THR HB . 11127 1 282 . 1 1 32 32 THR HG21 H 1 0.976 0.030 . 1 . . . . 32 THR HG2 . 11127 1 283 . 1 1 32 32 THR HG22 H 1 0.976 0.030 . 1 . . . . 32 THR HG2 . 11127 1 284 . 1 1 32 32 THR HG23 H 1 0.976 0.030 . 1 . . . . 32 THR HG2 . 11127 1 285 . 1 1 32 32 THR C C 13 169.740 0.300 . 1 . . . . 32 THR C . 11127 1 286 . 1 1 32 32 THR CA C 13 57.318 0.300 . 1 . . . . 32 THR CA . 11127 1 287 . 1 1 32 32 THR CB C 13 67.149 0.300 . 1 . . . . 32 THR CB . 11127 1 288 . 1 1 32 32 THR CG2 C 13 19.410 0.300 . 1 . . . . 32 THR CG2 . 11127 1 289 . 1 1 32 32 THR N N 15 102.283 0.300 . 1 . . . . 32 THR N . 11127 1 290 . 1 1 33 33 SER H H 1 7.313 0.030 . 1 . . . . 33 SER H . 11127 1 291 . 1 1 33 33 SER HA H 1 5.273 0.030 . 1 . . . . 33 SER HA . 11127 1 292 . 1 1 33 33 SER HB2 H 1 3.623 0.030 . 2 . . . . 33 SER HB2 . 11127 1 293 . 1 1 33 33 SER HB3 H 1 3.786 0.030 . 2 . . . . 33 SER HB3 . 11127 1 294 . 1 1 33 33 SER C C 13 171.451 0.300 . 1 . . . . 33 SER C . 11127 1 295 . 1 1 33 33 SER CA C 13 54.299 0.300 . 1 . . . . 33 SER CA . 11127 1 296 . 1 1 33 33 SER CB C 13 65.696 0.300 . 1 . . . . 33 SER CB . 11127 1 297 . 1 1 33 33 SER N N 15 113.242 0.300 . 1 . . . . 33 SER N . 11127 1 298 . 1 1 34 34 VAL H H 1 7.981 0.030 . 1 . . . . 34 VAL H . 11127 1 299 . 1 1 34 34 VAL HA H 1 4.586 0.030 . 1 . . . . 34 VAL HA . 11127 1 300 . 1 1 34 34 VAL HB H 1 1.513 0.030 . 1 . . . . 34 VAL HB . 11127 1 301 . 1 1 34 34 VAL HG11 H 1 -0.172 0.030 . 1 . . . . 34 VAL HG1 . 11127 1 302 . 1 1 34 34 VAL HG12 H 1 -0.172 0.030 . 1 . . . . 34 VAL HG1 . 11127 1 303 . 1 1 34 34 VAL HG13 H 1 -0.172 0.030 . 1 . . . . 34 VAL HG1 . 11127 1 304 . 1 1 34 34 VAL HG21 H 1 -0.094 0.030 . 1 . . . . 34 VAL HG2 . 11127 1 305 . 1 1 34 34 VAL HG22 H 1 -0.094 0.030 . 1 . . . . 34 VAL HG2 . 11127 1 306 . 1 1 34 34 VAL HG23 H 1 -0.094 0.030 . 1 . . . . 34 VAL HG2 . 11127 1 307 . 1 1 34 34 VAL C C 13 172.141 0.300 . 1 . . . . 34 VAL C . 11127 1 308 . 1 1 34 34 VAL CA C 13 56.190 0.300 . 1 . . . . 34 VAL CA . 11127 1 309 . 1 1 34 34 VAL CB C 13 33.006 0.300 . 1 . . . . 34 VAL CB . 11127 1 310 . 1 1 34 34 VAL CG1 C 13 19.663 0.300 . 2 . . . . 34 VAL CG1 . 11127 1 311 . 1 1 34 34 VAL CG2 C 13 15.684 0.300 . 2 . . . . 34 VAL CG2 . 11127 1 312 . 1 1 34 34 VAL N N 15 111.393 0.300 . 1 . . . . 34 VAL N . 11127 1 313 . 1 1 35 35 TYR H H 1 8.744 0.030 . 1 . . . . 35 TYR H . 11127 1 314 . 1 1 35 35 TYR HA H 1 5.149 0.030 . 1 . . . . 35 TYR HA . 11127 1 315 . 1 1 35 35 TYR HB2 H 1 2.608 0.030 . 2 . . . . 35 TYR HB2 . 11127 1 316 . 1 1 35 35 TYR HB3 H 1 2.416 0.030 . 2 . . . . 35 TYR HB3 . 11127 1 317 . 1 1 35 35 TYR HD1 H 1 6.624 0.030 . 1 . . . . 35 TYR HD1 . 11127 1 318 . 1 1 35 35 TYR HD2 H 1 6.624 0.030 . 1 . . . . 35 TYR HD2 . 11127 1 319 . 1 1 35 35 TYR HE1 H 1 6.613 0.030 . 1 . . . . 35 TYR HE1 . 11127 1 320 . 1 1 35 35 TYR HE2 H 1 6.613 0.030 . 1 . . . . 35 TYR HE2 . 11127 1 321 . 1 1 35 35 TYR C C 13 172.901 0.300 . 1 . . . . 35 TYR C . 11127 1 322 . 1 1 35 35 TYR CA C 13 54.463 0.300 . 1 . . . . 35 TYR CA . 11127 1 323 . 1 1 35 35 TYR CB C 13 36.372 0.300 . 1 . . . . 35 TYR CB . 11127 1 324 . 1 1 35 35 TYR CD1 C 13 130.163 0.300 . 1 . . . . 35 TYR CD1 . 11127 1 325 . 1 1 35 35 TYR CD2 C 13 130.163 0.300 . 1 . . . . 35 TYR CD2 . 11127 1 326 . 1 1 35 35 TYR CE1 C 13 115.967 0.300 . 1 . . . . 35 TYR CE1 . 11127 1 327 . 1 1 35 35 TYR CE2 C 13 115.967 0.300 . 1 . . . . 35 TYR CE2 . 11127 1 328 . 1 1 35 35 TYR N N 15 117.647 0.300 . 1 . . . . 35 TYR N . 11127 1 329 . 1 1 36 36 VAL H H 1 8.892 0.030 . 1 . . . . 36 VAL H . 11127 1 330 . 1 1 36 36 VAL HA H 1 4.290 0.030 . 1 . . . . 36 VAL HA . 11127 1 331 . 1 1 36 36 VAL HB H 1 1.900 0.030 . 1 . . . . 36 VAL HB . 11127 1 332 . 1 1 36 36 VAL HG11 H 1 0.754 0.030 . 1 . . . . 36 VAL HG1 . 11127 1 333 . 1 1 36 36 VAL HG12 H 1 0.754 0.030 . 1 . . . . 36 VAL HG1 . 11127 1 334 . 1 1 36 36 VAL HG13 H 1 0.754 0.030 . 1 . . . . 36 VAL HG1 . 11127 1 335 . 1 1 36 36 VAL HG21 H 1 0.201 0.030 . 1 . . . . 36 VAL HG2 . 11127 1 336 . 1 1 36 36 VAL HG22 H 1 0.201 0.030 . 1 . . . . 36 VAL HG2 . 11127 1 337 . 1 1 36 36 VAL HG23 H 1 0.201 0.030 . 1 . . . . 36 VAL HG2 . 11127 1 338 . 1 1 36 36 VAL C C 13 172.005 0.300 . 1 . . . . 36 VAL C . 11127 1 339 . 1 1 36 36 VAL CA C 13 58.697 0.300 . 1 . . . . 36 VAL CA . 11127 1 340 . 1 1 36 36 VAL CB C 13 31.014 0.300 . 1 . . . . 36 VAL CB . 11127 1 341 . 1 1 36 36 VAL CG1 C 13 19.136 0.300 . 2 . . . . 36 VAL CG1 . 11127 1 342 . 1 1 36 36 VAL CG2 C 13 19.580 0.300 . 2 . . . . 36 VAL CG2 . 11127 1 343 . 1 1 36 36 VAL N N 15 124.524 0.300 . 1 . . . . 36 VAL N . 11127 1 344 . 1 1 37 37 THR H H 1 8.489 0.030 . 1 . . . . 37 THR H . 11127 1 345 . 1 1 37 37 THR HA H 1 5.051 0.030 . 1 . . . . 37 THR HA . 11127 1 346 . 1 1 37 37 THR HB H 1 3.662 0.030 . 1 . . . . 37 THR HB . 11127 1 347 . 1 1 37 37 THR HG21 H 1 0.876 0.030 . 1 . . . . 37 THR HG2 . 11127 1 348 . 1 1 37 37 THR HG22 H 1 0.876 0.030 . 1 . . . . 37 THR HG2 . 11127 1 349 . 1 1 37 37 THR HG23 H 1 0.876 0.030 . 1 . . . . 37 THR HG2 . 11127 1 350 . 1 1 37 37 THR C C 13 170.503 0.300 . 1 . . . . 37 THR C . 11127 1 351 . 1 1 37 37 THR CA C 13 58.454 0.300 . 1 . . . . 37 THR CA . 11127 1 352 . 1 1 37 37 THR CB C 13 68.908 0.300 . 1 . . . . 37 THR CB . 11127 1 353 . 1 1 37 37 THR CG2 C 13 18.672 0.300 . 1 . . . . 37 THR CG2 . 11127 1 354 . 1 1 37 37 THR N N 15 120.779 0.300 . 1 . . . . 37 THR N . 11127 1 355 . 1 1 38 38 TRP H H 1 7.673 0.030 . 1 . . . . 38 TRP H . 11127 1 356 . 1 1 38 38 TRP HA H 1 5.207 0.030 . 1 . . . . 38 TRP HA . 11127 1 357 . 1 1 38 38 TRP HB2 H 1 2.947 0.030 . 2 . . . . 38 TRP HB2 . 11127 1 358 . 1 1 38 38 TRP HB3 H 1 2.799 0.030 . 2 . . . . 38 TRP HB3 . 11127 1 359 . 1 1 38 38 TRP HD1 H 1 5.863 0.030 . 1 . . . . 38 TRP HD1 . 11127 1 360 . 1 1 38 38 TRP HE1 H 1 5.407 0.030 . 1 . . . . 38 TRP HE1 . 11127 1 361 . 1 1 38 38 TRP HE3 H 1 6.726 0.030 . 1 . . . . 38 TRP HE3 . 11127 1 362 . 1 1 38 38 TRP HH2 H 1 6.594 0.030 . 1 . . . . 38 TRP HH2 . 11127 1 363 . 1 1 38 38 TRP HZ2 H 1 6.837 0.030 . 1 . . . . 38 TRP HZ2 . 11127 1 364 . 1 1 38 38 TRP HZ3 H 1 6.631 0.030 . 1 . . . . 38 TRP HZ3 . 11127 1 365 . 1 1 38 38 TRP C C 13 170.358 0.300 . 1 . . . . 38 TRP C . 11127 1 366 . 1 1 38 38 TRP CA C 13 54.151 0.300 . 1 . . . . 38 TRP CA . 11127 1 367 . 1 1 38 38 TRP CB C 13 29.537 0.300 . 1 . . . . 38 TRP CB . 11127 1 368 . 1 1 38 38 TRP CD1 C 13 119.936 0.300 . 1 . . . . 38 TRP CD1 . 11127 1 369 . 1 1 38 38 TRP CE3 C 13 118.203 0.300 . 1 . . . . 38 TRP CE3 . 11127 1 370 . 1 1 38 38 TRP CH2 C 13 121.130 0.300 . 1 . . . . 38 TRP CH2 . 11127 1 371 . 1 1 38 38 TRP CZ2 C 13 112.031 0.300 . 1 . . . . 38 TRP CZ2 . 11127 1 372 . 1 1 38 38 TRP CZ3 C 13 119.714 0.300 . 1 . . . . 38 TRP CZ3 . 11127 1 373 . 1 1 38 38 TRP N N 15 122.660 0.300 . 1 . . . . 38 TRP N . 11127 1 374 . 1 1 38 38 TRP NE1 N 15 122.580 0.300 . 1 . . . . 38 TRP NE1 . 11127 1 375 . 1 1 39 39 ILE H H 1 6.910 0.030 . 1 . . . . 39 ILE H . 11127 1 376 . 1 1 39 39 ILE HA H 1 4.556 0.030 . 1 . . . . 39 ILE HA . 11127 1 377 . 1 1 39 39 ILE HB H 1 1.724 0.030 . 1 . . . . 39 ILE HB . 11127 1 378 . 1 1 39 39 ILE HD11 H 1 0.743 0.030 . 1 . . . . 39 ILE HD1 . 11127 1 379 . 1 1 39 39 ILE HD12 H 1 0.743 0.030 . 1 . . . . 39 ILE HD1 . 11127 1 380 . 1 1 39 39 ILE HD13 H 1 0.743 0.030 . 1 . . . . 39 ILE HD1 . 11127 1 381 . 1 1 39 39 ILE HG12 H 1 1.374 0.030 . 2 . . . . 39 ILE HG12 . 11127 1 382 . 1 1 39 39 ILE HG13 H 1 0.912 0.030 . 2 . . . . 39 ILE HG13 . 11127 1 383 . 1 1 39 39 ILE HG21 H 1 0.888 0.030 . 1 . . . . 39 ILE HG2 . 11127 1 384 . 1 1 39 39 ILE HG22 H 1 0.888 0.030 . 1 . . . . 39 ILE HG2 . 11127 1 385 . 1 1 39 39 ILE HG23 H 1 0.888 0.030 . 1 . . . . 39 ILE HG2 . 11127 1 386 . 1 1 39 39 ILE C C 13 172.229 0.300 . 1 . . . . 39 ILE C . 11127 1 387 . 1 1 39 39 ILE CA C 13 55.122 0.300 . 1 . . . . 39 ILE CA . 11127 1 388 . 1 1 39 39 ILE CB C 13 38.414 0.300 . 1 . . . . 39 ILE CB . 11127 1 389 . 1 1 39 39 ILE CD1 C 13 10.600 0.300 . 1 . . . . 39 ILE CD1 . 11127 1 390 . 1 1 39 39 ILE CG1 C 13 24.831 0.300 . 1 . . . . 39 ILE CG1 . 11127 1 391 . 1 1 39 39 ILE CG2 C 13 14.599 0.300 . 1 . . . . 39 ILE CG2 . 11127 1 392 . 1 1 39 39 ILE N N 15 116.924 0.300 . 1 . . . . 39 ILE N . 11127 1 393 . 1 1 40 40 PRO HA H 1 4.408 0.030 . 1 . . . . 40 PRO HA . 11127 1 394 . 1 1 40 40 PRO HB2 H 1 2.327 0.030 . 2 . . . . 40 PRO HB2 . 11127 1 395 . 1 1 40 40 PRO HB3 H 1 2.272 0.030 . 2 . . . . 40 PRO HB3 . 11127 1 396 . 1 1 40 40 PRO HD2 H 1 3.832 0.030 . 2 . . . . 40 PRO HD2 . 11127 1 397 . 1 1 40 40 PRO HD3 H 1 3.691 0.030 . 2 . . . . 40 PRO HD3 . 11127 1 398 . 1 1 40 40 PRO HG2 H 1 2.136 0.030 . 2 . . . . 40 PRO HG2 . 11127 1 399 . 1 1 40 40 PRO HG3 H 1 2.241 0.030 . 2 . . . . 40 PRO HG3 . 11127 1 400 . 1 1 40 40 PRO C C 13 173.231 0.300 . 1 . . . . 40 PRO C . 11127 1 401 . 1 1 40 40 PRO CA C 13 60.278 0.300 . 1 . . . . 40 PRO CA . 11127 1 402 . 1 1 40 40 PRO CB C 13 30.266 0.300 . 1 . . . . 40 PRO CB . 11127 1 403 . 1 1 40 40 PRO CD C 13 48.789 0.300 . 1 . . . . 40 PRO CD . 11127 1 404 . 1 1 40 40 PRO CG C 13 25.079 0.300 . 1 . . . . 40 PRO CG . 11127 1 405 . 1 1 41 41 ARG H H 1 8.477 0.030 . 1 . . . . 41 ARG H . 11127 1 406 . 1 1 41 41 ARG HA H 1 4.526 0.030 . 1 . . . . 41 ARG HA . 11127 1 407 . 1 1 41 41 ARG HB2 H 1 1.520 0.030 . 2 . . . . 41 ARG HB2 . 11127 1 408 . 1 1 41 41 ARG HB3 H 1 1.944 0.030 . 2 . . . . 41 ARG HB3 . 11127 1 409 . 1 1 41 41 ARG HD2 H 1 3.153 0.030 . 2 . . . . 41 ARG HD2 . 11127 1 410 . 1 1 41 41 ARG HD3 H 1 3.216 0.030 . 2 . . . . 41 ARG HD3 . 11127 1 411 . 1 1 41 41 ARG HE H 1 7.285 0.030 . 1 . . . . 41 ARG HE . 11127 1 412 . 1 1 41 41 ARG HG2 H 1 1.694 0.030 . 2 . . . . 41 ARG HG2 . 11127 1 413 . 1 1 41 41 ARG HG3 H 1 1.498 0.030 . 2 . . . . 41 ARG HG3 . 11127 1 414 . 1 1 41 41 ARG C C 13 173.199 0.300 . 1 . . . . 41 ARG C . 11127 1 415 . 1 1 41 41 ARG CA C 13 52.257 0.300 . 1 . . . . 41 ARG CA . 11127 1 416 . 1 1 41 41 ARG CB C 13 27.321 0.300 . 1 . . . . 41 ARG CB . 11127 1 417 . 1 1 41 41 ARG CD C 13 40.893 0.300 . 1 . . . . 41 ARG CD . 11127 1 418 . 1 1 41 41 ARG CG C 13 25.500 0.300 . 1 . . . . 41 ARG CG . 11127 1 419 . 1 1 41 41 ARG N N 15 121.634 0.300 . 1 . . . . 41 ARG N . 11127 1 420 . 1 1 41 41 ARG NE N 15 84.476 0.300 . 1 . . . . 41 ARG NE . 11127 1 421 . 1 1 42 42 GLY H H 1 8.680 0.030 . 1 . . . . 42 GLY H . 11127 1 422 . 1 1 42 42 GLY HA2 H 1 3.726 0.030 . 2 . . . . 42 GLY HA2 . 11127 1 423 . 1 1 42 42 GLY HA3 H 1 3.934 0.030 . 2 . . . . 42 GLY HA3 . 11127 1 424 . 1 1 42 42 GLY C C 13 172.712 0.300 . 1 . . . . 42 GLY C . 11127 1 425 . 1 1 42 42 GLY CA C 13 43.615 0.300 . 1 . . . . 42 GLY CA . 11127 1 426 . 1 1 42 42 GLY N N 15 110.616 0.300 . 1 . . . . 42 GLY N . 11127 1 427 . 1 1 43 43 ASN H H 1 8.489 0.030 . 1 . . . . 43 ASN H . 11127 1 428 . 1 1 43 43 ASN HA H 1 4.466 0.030 . 1 . . . . 43 ASN HA . 11127 1 429 . 1 1 43 43 ASN HB2 H 1 3.994 0.030 . 2 . . . . 43 ASN HB2 . 11127 1 430 . 1 1 43 43 ASN HB3 H 1 2.737 0.030 . 2 . . . . 43 ASN HB3 . 11127 1 431 . 1 1 43 43 ASN HD21 H 1 7.326 0.030 . 2 . . . . 43 ASN HD21 . 11127 1 432 . 1 1 43 43 ASN HD22 H 1 6.740 0.030 . 2 . . . . 43 ASN HD22 . 11127 1 433 . 1 1 43 43 ASN C C 13 172.657 0.300 . 1 . . . . 43 ASN C . 11127 1 434 . 1 1 43 43 ASN CA C 13 50.550 0.300 . 1 . . . . 43 ASN CA . 11127 1 435 . 1 1 43 43 ASN CB C 13 36.561 0.300 . 1 . . . . 43 ASN CB . 11127 1 436 . 1 1 43 43 ASN N N 15 118.320 0.300 . 1 . . . . 43 ASN N . 11127 1 437 . 1 1 43 43 ASN ND2 N 15 110.196 0.300 . 1 . . . . 43 ASN ND2 . 11127 1 438 . 1 1 44 44 GLY H H 1 8.490 0.030 . 1 . . . . 44 GLY H . 11127 1 439 . 1 1 44 44 GLY HA2 H 1 4.148 0.030 . 2 . . . . 44 GLY HA2 . 11127 1 440 . 1 1 44 44 GLY HA3 H 1 3.363 0.030 . 2 . . . . 44 GLY HA3 . 11127 1 441 . 1 1 44 44 GLY C C 13 171.556 0.300 . 1 . . . . 44 GLY C . 11127 1 442 . 1 1 44 44 GLY CA C 13 43.598 0.300 . 1 . . . . 44 GLY CA . 11127 1 443 . 1 1 44 44 GLY N N 15 107.085 0.300 . 1 . . . . 44 GLY N . 11127 1 444 . 1 1 45 45 GLY H H 1 8.302 0.030 . 1 . . . . 45 GLY H . 11127 1 445 . 1 1 45 45 GLY HA2 H 1 3.202 0.030 . 2 . . . . 45 GLY HA2 . 11127 1 446 . 1 1 45 45 GLY HA3 H 1 4.296 0.030 . 2 . . . . 45 GLY HA3 . 11127 1 447 . 1 1 45 45 GLY C C 13 170.967 0.300 . 1 . . . . 45 GLY C . 11127 1 448 . 1 1 45 45 GLY CA C 13 42.010 0.300 . 1 . . . . 45 GLY CA . 11127 1 449 . 1 1 45 45 GLY N N 15 103.999 0.300 . 1 . . . . 45 GLY N . 11127 1 450 . 1 1 46 46 PHE H H 1 7.045 0.030 . 1 . . . . 46 PHE H . 11127 1 451 . 1 1 46 46 PHE HA H 1 4.830 0.030 . 1 . . . . 46 PHE HA . 11127 1 452 . 1 1 46 46 PHE HB2 H 1 3.436 0.030 . 2 . . . . 46 PHE HB2 . 11127 1 453 . 1 1 46 46 PHE HB3 H 1 2.408 0.030 . 2 . . . . 46 PHE HB3 . 11127 1 454 . 1 1 46 46 PHE HD1 H 1 7.032 0.030 . 1 . . . . 46 PHE HD1 . 11127 1 455 . 1 1 46 46 PHE HD2 H 1 7.032 0.030 . 1 . . . . 46 PHE HD2 . 11127 1 456 . 1 1 46 46 PHE HE1 H 1 7.177 0.030 . 1 . . . . 46 PHE HE1 . 11127 1 457 . 1 1 46 46 PHE HE2 H 1 7.177 0.030 . 1 . . . . 46 PHE HE2 . 11127 1 458 . 1 1 46 46 PHE HZ H 1 7.137 0.030 . 1 . . . . 46 PHE HZ . 11127 1 459 . 1 1 46 46 PHE C C 13 169.632 0.300 . 1 . . . . 46 PHE C . 11127 1 460 . 1 1 46 46 PHE CA C 13 52.991 0.300 . 1 . . . . 46 PHE CA . 11127 1 461 . 1 1 46 46 PHE CB C 13 39.400 0.300 . 1 . . . . 46 PHE CB . 11127 1 462 . 1 1 46 46 PHE CD1 C 13 129.061 0.300 . 1 . . . . 46 PHE CD1 . 11127 1 463 . 1 1 46 46 PHE CD2 C 13 129.061 0.300 . 1 . . . . 46 PHE CD2 . 11127 1 464 . 1 1 46 46 PHE CE1 C 13 129.318 0.300 . 1 . . . . 46 PHE CE1 . 11127 1 465 . 1 1 46 46 PHE CE2 C 13 129.318 0.300 . 1 . . . . 46 PHE CE2 . 11127 1 466 . 1 1 46 46 PHE CZ C 13 127.507 0.300 . 1 . . . . 46 PHE CZ . 11127 1 467 . 1 1 46 46 PHE N N 15 118.325 0.300 . 1 . . . . 46 PHE N . 11127 1 468 . 1 1 47 47 PRO HA H 1 4.187 0.030 . 1 . . . . 47 PRO HA . 11127 1 469 . 1 1 47 47 PRO HB2 H 1 2.204 0.030 . 2 . . . . 47 PRO HB2 . 11127 1 470 . 1 1 47 47 PRO HB3 H 1 1.709 0.030 . 2 . . . . 47 PRO HB3 . 11127 1 471 . 1 1 47 47 PRO HD2 H 1 3.616 0.030 . 2 . . . . 47 PRO HD2 . 11127 1 472 . 1 1 47 47 PRO HD3 H 1 3.731 0.030 . 2 . . . . 47 PRO HD3 . 11127 1 473 . 1 1 47 47 PRO HG2 H 1 1.980 0.030 . 2 . . . . 47 PRO HG2 . 11127 1 474 . 1 1 47 47 PRO HG3 H 1 1.917 0.030 . 2 . . . . 47 PRO HG3 . 11127 1 475 . 1 1 47 47 PRO C C 13 175.044 0.300 . 1 . . . . 47 PRO C . 11127 1 476 . 1 1 47 47 PRO CA C 13 60.385 0.300 . 1 . . . . 47 PRO CA . 11127 1 477 . 1 1 47 47 PRO CB C 13 29.890 0.300 . 1 . . . . 47 PRO CB . 11127 1 478 . 1 1 47 47 PRO CD C 13 47.901 0.300 . 1 . . . . 47 PRO CD . 11127 1 479 . 1 1 47 47 PRO CG C 13 25.416 0.300 . 1 . . . . 47 PRO CG . 11127 1 480 . 1 1 48 48 ILE H H 1 8.419 0.030 . 1 . . . . 48 ILE H . 11127 1 481 . 1 1 48 48 ILE HA H 1 3.717 0.030 . 1 . . . . 48 ILE HA . 11127 1 482 . 1 1 48 48 ILE HB H 1 1.642 0.030 . 1 . . . . 48 ILE HB . 11127 1 483 . 1 1 48 48 ILE HD11 H 1 0.945 0.030 . 1 . . . . 48 ILE HD1 . 11127 1 484 . 1 1 48 48 ILE HD12 H 1 0.945 0.030 . 1 . . . . 48 ILE HD1 . 11127 1 485 . 1 1 48 48 ILE HD13 H 1 0.945 0.030 . 1 . . . . 48 ILE HD1 . 11127 1 486 . 1 1 48 48 ILE HG12 H 1 0.843 0.030 . 2 . . . . 48 ILE HG12 . 11127 1 487 . 1 1 48 48 ILE HG13 H 1 1.807 0.030 . 2 . . . . 48 ILE HG13 . 11127 1 488 . 1 1 48 48 ILE HG21 H 1 0.363 0.030 . 1 . . . . 48 ILE HG2 . 11127 1 489 . 1 1 48 48 ILE HG22 H 1 0.363 0.030 . 1 . . . . 48 ILE HG2 . 11127 1 490 . 1 1 48 48 ILE HG23 H 1 0.363 0.030 . 1 . . . . 48 ILE HG2 . 11127 1 491 . 1 1 48 48 ILE C C 13 174.432 0.300 . 1 . . . . 48 ILE C . 11127 1 492 . 1 1 48 48 ILE CA C 13 61.140 0.300 . 1 . . . . 48 ILE CA . 11127 1 493 . 1 1 48 48 ILE CB C 13 35.692 0.300 . 1 . . . . 48 ILE CB . 11127 1 494 . 1 1 48 48 ILE CD1 C 13 10.747 0.300 . 1 . . . . 48 ILE CD1 . 11127 1 495 . 1 1 48 48 ILE CG1 C 13 27.544 0.300 . 1 . . . . 48 ILE CG1 . 11127 1 496 . 1 1 48 48 ILE CG2 C 13 15.124 0.300 . 1 . . . . 48 ILE CG2 . 11127 1 497 . 1 1 48 48 ILE N N 15 122.170 0.300 . 1 . . . . 48 ILE N . 11127 1 498 . 1 1 49 49 GLN H H 1 9.418 0.030 . 1 . . . . 49 GLN H . 11127 1 499 . 1 1 49 49 GLN HA H 1 4.227 0.030 . 1 . . . . 49 GLN HA . 11127 1 500 . 1 1 49 49 GLN HB2 H 1 1.914 0.030 . 2 . . . . 49 GLN HB2 . 11127 1 501 . 1 1 49 49 GLN HB3 H 1 1.619 0.030 . 2 . . . . 49 GLN HB3 . 11127 1 502 . 1 1 49 49 GLN HE21 H 1 7.097 0.030 . 2 . . . . 49 GLN HE21 . 11127 1 503 . 1 1 49 49 GLN HE22 H 1 6.672 0.030 . 2 . . . . 49 GLN HE22 . 11127 1 504 . 1 1 49 49 GLN HG2 H 1 2.199 0.030 . 2 . . . . 49 GLN HG2 . 11127 1 505 . 1 1 49 49 GLN HG3 H 1 2.375 0.030 . 2 . . . . 49 GLN HG3 . 11127 1 506 . 1 1 49 49 GLN C C 13 173.284 0.300 . 1 . . . . 49 GLN C . 11127 1 507 . 1 1 49 49 GLN CA C 13 53.928 0.300 . 1 . . . . 49 GLN CA . 11127 1 508 . 1 1 49 49 GLN CB C 13 29.291 0.300 . 1 . . . . 49 GLN CB . 11127 1 509 . 1 1 49 49 GLN CG C 13 32.237 0.300 . 1 . . . . 49 GLN CG . 11127 1 510 . 1 1 49 49 GLN N N 15 125.544 0.300 . 1 . . . . 49 GLN N . 11127 1 511 . 1 1 49 49 GLN NE2 N 15 110.772 0.300 . 1 . . . . 49 GLN NE2 . 11127 1 512 . 1 1 50 50 SER H H 1 7.271 0.030 . 1 . . . . 50 SER H . 11127 1 513 . 1 1 50 50 SER HA H 1 4.625 0.030 . 1 . . . . 50 SER HA . 11127 1 514 . 1 1 50 50 SER HB2 H 1 3.623 0.030 . 2 . . . . 50 SER HB2 . 11127 1 515 . 1 1 50 50 SER HB3 H 1 4.065 0.030 . 2 . . . . 50 SER HB3 . 11127 1 516 . 1 1 50 50 SER C C 13 169.294 0.300 . 1 . . . . 50 SER C . 11127 1 517 . 1 1 50 50 SER CA C 13 55.626 0.300 . 1 . . . . 50 SER CA . 11127 1 518 . 1 1 50 50 SER CB C 13 62.133 0.300 . 1 . . . . 50 SER CB . 11127 1 519 . 1 1 50 50 SER N N 15 108.316 0.300 . 1 . . . . 50 SER N . 11127 1 520 . 1 1 51 51 PHE H H 1 8.647 0.030 . 1 . . . . 51 PHE H . 11127 1 521 . 1 1 51 51 PHE HA H 1 5.458 0.030 . 1 . . . . 51 PHE HA . 11127 1 522 . 1 1 51 51 PHE HB2 H 1 2.621 0.030 . 2 . . . . 51 PHE HB2 . 11127 1 523 . 1 1 51 51 PHE HB3 H 1 2.544 0.030 . 2 . . . . 51 PHE HB3 . 11127 1 524 . 1 1 51 51 PHE HD1 H 1 7.289 0.030 . 1 . . . . 51 PHE HD1 . 11127 1 525 . 1 1 51 51 PHE HD2 H 1 7.289 0.030 . 1 . . . . 51 PHE HD2 . 11127 1 526 . 1 1 51 51 PHE HE1 H 1 7.400 0.030 . 1 . . . . 51 PHE HE1 . 11127 1 527 . 1 1 51 51 PHE HE2 H 1 7.400 0.030 . 1 . . . . 51 PHE HE2 . 11127 1 528 . 1 1 51 51 PHE HZ H 1 7.469 0.030 . 1 . . . . 51 PHE HZ . 11127 1 529 . 1 1 51 51 PHE C C 13 172.120 0.300 . 1 . . . . 51 PHE C . 11127 1 530 . 1 1 51 51 PHE CA C 13 53.906 0.300 . 1 . . . . 51 PHE CA . 11127 1 531 . 1 1 51 51 PHE CB C 13 41.236 0.300 . 1 . . . . 51 PHE CB . 11127 1 532 . 1 1 51 51 PHE CE1 C 13 127.250 0.300 . 1 . . . . 51 PHE CE1 . 11127 1 533 . 1 1 51 51 PHE CE2 C 13 127.250 0.300 . 1 . . . . 51 PHE CE2 . 11127 1 534 . 1 1 51 51 PHE N N 15 113.081 0.300 . 1 . . . . 51 PHE N . 11127 1 535 . 1 1 52 52 ARG H H 1 8.307 0.030 . 1 . . . . 52 ARG H . 11127 1 536 . 1 1 52 52 ARG HA H 1 4.788 0.030 . 1 . . . . 52 ARG HA . 11127 1 537 . 1 1 52 52 ARG HB2 H 1 1.582 0.030 . 2 . . . . 52 ARG HB2 . 11127 1 538 . 1 1 52 52 ARG HB3 H 1 1.388 0.030 . 2 . . . . 52 ARG HB3 . 11127 1 539 . 1 1 52 52 ARG HD2 H 1 3.001 0.030 . 2 . . . . 52 ARG HD2 . 11127 1 540 . 1 1 52 52 ARG HD3 H 1 2.961 0.030 . 2 . . . . 52 ARG HD3 . 11127 1 541 . 1 1 52 52 ARG HG2 H 1 1.366 0.030 . 2 . . . . 52 ARG HG2 . 11127 1 542 . 1 1 52 52 ARG HG3 H 1 1.440 0.030 . 2 . . . . 52 ARG HG3 . 11127 1 543 . 1 1 52 52 ARG C C 13 171.951 0.300 . 1 . . . . 52 ARG C . 11127 1 544 . 1 1 52 52 ARG CA C 13 52.453 0.300 . 1 . . . . 52 ARG CA . 11127 1 545 . 1 1 52 52 ARG CB C 13 32.494 0.300 . 1 . . . . 52 ARG CB . 11127 1 546 . 1 1 52 52 ARG CD C 13 41.672 0.300 . 1 . . . . 52 ARG CD . 11127 1 547 . 1 1 52 52 ARG CG C 13 24.841 0.300 . 1 . . . . 52 ARG CG . 11127 1 548 . 1 1 52 52 ARG N N 15 115.701 0.300 . 1 . . . . 52 ARG N . 11127 1 549 . 1 1 53 53 VAL H H 1 8.367 0.030 . 1 . . . . 53 VAL H . 11127 1 550 . 1 1 53 53 VAL HA H 1 4.649 0.030 . 1 . . . . 53 VAL HA . 11127 1 551 . 1 1 53 53 VAL HB H 1 1.720 0.030 . 1 . . . . 53 VAL HB . 11127 1 552 . 1 1 53 53 VAL HG11 H 1 1.008 0.030 . 1 . . . . 53 VAL HG1 . 11127 1 553 . 1 1 53 53 VAL HG12 H 1 1.008 0.030 . 1 . . . . 53 VAL HG1 . 11127 1 554 . 1 1 53 53 VAL HG13 H 1 1.008 0.030 . 1 . . . . 53 VAL HG1 . 11127 1 555 . 1 1 53 53 VAL HG21 H 1 0.456 0.030 . 1 . . . . 53 VAL HG2 . 11127 1 556 . 1 1 53 53 VAL HG22 H 1 0.456 0.030 . 1 . . . . 53 VAL HG2 . 11127 1 557 . 1 1 53 53 VAL HG23 H 1 0.456 0.030 . 1 . . . . 53 VAL HG2 . 11127 1 558 . 1 1 53 53 VAL C C 13 172.121 0.300 . 1 . . . . 53 VAL C . 11127 1 559 . 1 1 53 53 VAL CA C 13 58.728 0.300 . 1 . . . . 53 VAL CA . 11127 1 560 . 1 1 53 53 VAL CB C 13 32.109 0.300 . 1 . . . . 53 VAL CB . 11127 1 561 . 1 1 53 53 VAL CG1 C 13 19.907 0.300 . 2 . . . . 53 VAL CG1 . 11127 1 562 . 1 1 53 53 VAL CG2 C 13 20.008 0.300 . 2 . . . . 53 VAL CG2 . 11127 1 563 . 1 1 53 53 VAL N N 15 121.094 0.300 . 1 . . . . 53 VAL N . 11127 1 564 . 1 1 54 54 GLU H H 1 8.930 0.030 . 1 . . . . 54 GLU H . 11127 1 565 . 1 1 54 54 GLU HA H 1 5.432 0.030 . 1 . . . . 54 GLU HA . 11127 1 566 . 1 1 54 54 GLU HB2 H 1 1.711 0.030 . 2 . . . . 54 GLU HB2 . 11127 1 567 . 1 1 54 54 GLU HB3 H 1 2.065 0.030 . 2 . . . . 54 GLU HB3 . 11127 1 568 . 1 1 54 54 GLU HG2 H 1 1.884 0.030 . 2 . . . . 54 GLU HG2 . 11127 1 569 . 1 1 54 54 GLU HG3 H 1 1.973 0.030 . 2 . . . . 54 GLU HG3 . 11127 1 570 . 1 1 54 54 GLU C C 13 172.864 0.300 . 1 . . . . 54 GLU C . 11127 1 571 . 1 1 54 54 GLU CA C 13 51.527 0.300 . 1 . . . . 54 GLU CA . 11127 1 572 . 1 1 54 54 GLU CB C 13 32.754 0.300 . 1 . . . . 54 GLU CB . 11127 1 573 . 1 1 54 54 GLU CG C 13 33.991 0.300 . 1 . . . . 54 GLU CG . 11127 1 574 . 1 1 54 54 GLU N N 15 125.623 0.300 . 1 . . . . 54 GLU N . 11127 1 575 . 1 1 55 55 TYR H H 1 9.629 0.030 . 1 . . . . 55 TYR H . 11127 1 576 . 1 1 55 55 TYR HA H 1 5.895 0.030 . 1 . . . . 55 TYR HA . 11127 1 577 . 1 1 55 55 TYR HB2 H 1 2.494 0.030 . 2 . . . . 55 TYR HB2 . 11127 1 578 . 1 1 55 55 TYR HB3 H 1 2.710 0.030 . 2 . . . . 55 TYR HB3 . 11127 1 579 . 1 1 55 55 TYR HD1 H 1 6.745 0.030 . 1 . . . . 55 TYR HD1 . 11127 1 580 . 1 1 55 55 TYR HD2 H 1 6.745 0.030 . 1 . . . . 55 TYR HD2 . 11127 1 581 . 1 1 55 55 TYR HE1 H 1 6.587 0.030 . 1 . . . . 55 TYR HE1 . 11127 1 582 . 1 1 55 55 TYR HE2 H 1 6.587 0.030 . 1 . . . . 55 TYR HE2 . 11127 1 583 . 1 1 55 55 TYR C C 13 170.174 0.300 . 1 . . . . 55 TYR C . 11127 1 584 . 1 1 55 55 TYR CA C 13 52.751 0.300 . 1 . . . . 55 TYR CA . 11127 1 585 . 1 1 55 55 TYR CB C 13 40.871 0.300 . 1 . . . . 55 TYR CB . 11127 1 586 . 1 1 55 55 TYR CD1 C 13 130.303 0.300 . 1 . . . . 55 TYR CD1 . 11127 1 587 . 1 1 55 55 TYR CD2 C 13 130.303 0.300 . 1 . . . . 55 TYR CD2 . 11127 1 588 . 1 1 55 55 TYR CE1 C 13 115.712 0.300 . 1 . . . . 55 TYR CE1 . 11127 1 589 . 1 1 55 55 TYR CE2 C 13 115.712 0.300 . 1 . . . . 55 TYR CE2 . 11127 1 590 . 1 1 55 55 TYR N N 15 117.804 0.300 . 1 . . . . 55 TYR N . 11127 1 591 . 1 1 56 56 LYS H H 1 8.144 0.030 . 1 . . . . 56 LYS H . 11127 1 592 . 1 1 56 56 LYS HA H 1 4.050 0.030 . 1 . . . . 56 LYS HA . 11127 1 593 . 1 1 56 56 LYS HB2 H 1 0.060 0.030 . 2 . . . . 56 LYS HB2 . 11127 1 594 . 1 1 56 56 LYS HB3 H 1 -0.410 0.030 . 2 . . . . 56 LYS HB3 . 11127 1 595 . 1 1 56 56 LYS HD2 H 1 0.407 0.030 . 2 . . . . 56 LYS HD2 . 11127 1 596 . 1 1 56 56 LYS HD3 H 1 0.204 0.030 . 2 . . . . 56 LYS HD3 . 11127 1 597 . 1 1 56 56 LYS HE2 H 1 2.241 0.030 . 2 . . . . 56 LYS HE2 . 11127 1 598 . 1 1 56 56 LYS HE3 H 1 2.380 0.030 . 2 . . . . 56 LYS HE3 . 11127 1 599 . 1 1 56 56 LYS HG2 H 1 0.197 0.030 . 2 . . . . 56 LYS HG2 . 11127 1 600 . 1 1 56 56 LYS HG3 H 1 0.149 0.030 . 2 . . . . 56 LYS HG3 . 11127 1 601 . 1 1 56 56 LYS C C 13 172.596 0.300 . 1 . . . . 56 LYS C . 11127 1 602 . 1 1 56 56 LYS CA C 13 52.136 0.300 . 1 . . . . 56 LYS CA . 11127 1 603 . 1 1 56 56 LYS CB C 13 32.740 0.300 . 1 . . . . 56 LYS CB . 11127 1 604 . 1 1 56 56 LYS CD C 13 26.320 0.300 . 1 . . . . 56 LYS CD . 11127 1 605 . 1 1 56 56 LYS CE C 13 39.746 0.300 . 1 . . . . 56 LYS CE . 11127 1 606 . 1 1 56 56 LYS CG C 13 21.623 0.300 . 1 . . . . 56 LYS CG . 11127 1 607 . 1 1 56 56 LYS N N 15 118.768 0.300 . 1 . . . . 56 LYS N . 11127 1 608 . 1 1 57 57 LYS H H 1 8.020 0.030 . 1 . . . . 57 LYS H . 11127 1 609 . 1 1 57 57 LYS HA H 1 3.891 0.030 . 1 . . . . 57 LYS HA . 11127 1 610 . 1 1 57 57 LYS HB2 H 1 1.324 0.030 . 2 . . . . 57 LYS HB2 . 11127 1 611 . 1 1 57 57 LYS HB3 H 1 1.196 0.030 . 2 . . . . 57 LYS HB3 . 11127 1 612 . 1 1 57 57 LYS HD2 H 1 1.454 0.030 . 1 . . . . 57 LYS HD2 . 11127 1 613 . 1 1 57 57 LYS HD3 H 1 1.454 0.030 . 1 . . . . 57 LYS HD3 . 11127 1 614 . 1 1 57 57 LYS HE2 H 1 2.811 0.030 . 2 . . . . 57 LYS HE2 . 11127 1 615 . 1 1 57 57 LYS HG2 H 1 0.636 0.030 . 2 . . . . 57 LYS HG2 . 11127 1 616 . 1 1 57 57 LYS HG3 H 1 1.062 0.030 . 2 . . . . 57 LYS HG3 . 11127 1 617 . 1 1 57 57 LYS C C 13 174.310 0.300 . 1 . . . . 57 LYS C . 11127 1 618 . 1 1 57 57 LYS CA C 13 53.089 0.300 . 1 . . . . 57 LYS CA . 11127 1 619 . 1 1 57 57 LYS CB C 13 30.773 0.300 . 1 . . . . 57 LYS CB . 11127 1 620 . 1 1 57 57 LYS CD C 13 27.689 0.300 . 1 . . . . 57 LYS CD . 11127 1 621 . 1 1 57 57 LYS CE C 13 39.824 0.300 . 1 . . . . 57 LYS CE . 11127 1 622 . 1 1 57 57 LYS CG C 13 23.381 0.300 . 1 . . . . 57 LYS CG . 11127 1 623 . 1 1 57 57 LYS N N 15 123.862 0.300 . 1 . . . . 57 LYS N . 11127 1 624 . 1 1 58 58 LEU H H 1 8.261 0.030 . 1 . . . . 58 LEU H . 11127 1 625 . 1 1 58 58 LEU HA H 1 3.955 0.030 . 1 . . . . 58 LEU HA . 11127 1 626 . 1 1 58 58 LEU HB2 H 1 1.332 0.030 . 1 . . . . 58 LEU HB2 . 11127 1 627 . 1 1 58 58 LEU HB3 H 1 1.332 0.030 . 1 . . . . 58 LEU HB3 . 11127 1 628 . 1 1 58 58 LEU HD11 H 1 0.667 0.030 . 1 . . . . 58 LEU HD1 . 11127 1 629 . 1 1 58 58 LEU HD12 H 1 0.667 0.030 . 1 . . . . 58 LEU HD1 . 11127 1 630 . 1 1 58 58 LEU HD13 H 1 0.667 0.030 . 1 . . . . 58 LEU HD1 . 11127 1 631 . 1 1 58 58 LEU HD21 H 1 0.529 0.030 . 1 . . . . 58 LEU HD2 . 11127 1 632 . 1 1 58 58 LEU HD22 H 1 0.529 0.030 . 1 . . . . 58 LEU HD2 . 11127 1 633 . 1 1 58 58 LEU HD23 H 1 0.529 0.030 . 1 . . . . 58 LEU HD2 . 11127 1 634 . 1 1 58 58 LEU HG H 1 1.282 0.030 . 1 . . . . 58 LEU HG . 11127 1 635 . 1 1 58 58 LEU C C 13 174.492 0.300 . 1 . . . . 58 LEU C . 11127 1 636 . 1 1 58 58 LEU CA C 13 52.999 0.300 . 1 . . . . 58 LEU CA . 11127 1 637 . 1 1 58 58 LEU CB C 13 37.693 0.300 . 1 . . . . 58 LEU CB . 11127 1 638 . 1 1 58 58 LEU CD1 C 13 22.551 0.300 . 2 . . . . 58 LEU CD1 . 11127 1 639 . 1 1 58 58 LEU CD2 C 13 20.497 0.300 . 2 . . . . 58 LEU CD2 . 11127 1 640 . 1 1 58 58 LEU CG C 13 24.813 0.300 . 1 . . . . 58 LEU CG . 11127 1 641 . 1 1 58 58 LEU N N 15 124.769 0.300 . 1 . . . . 58 LEU N . 11127 1 642 . 1 1 59 59 LYS H H 1 8.183 0.030 . 1 . . . . 59 LYS H . 11127 1 643 . 1 1 59 59 LYS HA H 1 3.921 0.030 . 1 . . . . 59 LYS HA . 11127 1 644 . 1 1 59 59 LYS HB2 H 1 1.816 0.030 . 2 . . . . 59 LYS HB2 . 11127 1 645 . 1 1 59 59 LYS HB3 H 1 1.698 0.030 . 2 . . . . 59 LYS HB3 . 11127 1 646 . 1 1 59 59 LYS HD2 H 1 1.531 0.030 . 1 . . . . 59 LYS HD2 . 11127 1 647 . 1 1 59 59 LYS HD3 H 1 1.531 0.030 . 1 . . . . 59 LYS HD3 . 11127 1 648 . 1 1 59 59 LYS HE2 H 1 2.825 0.030 . 1 . . . . 59 LYS HE2 . 11127 1 649 . 1 1 59 59 LYS HE3 H 1 2.825 0.030 . 1 . . . . 59 LYS HE3 . 11127 1 650 . 1 1 59 59 LYS HG2 H 1 1.184 0.030 . 1 . . . . 59 LYS HG2 . 11127 1 651 . 1 1 59 59 LYS HG3 H 1 1.184 0.030 . 1 . . . . 59 LYS HG3 . 11127 1 652 . 1 1 59 59 LYS C C 13 173.225 0.300 . 1 . . . . 59 LYS C . 11127 1 653 . 1 1 59 59 LYS CA C 13 54.250 0.300 . 1 . . . . 59 LYS CA . 11127 1 654 . 1 1 59 59 LYS CB C 13 29.567 0.300 . 1 . . . . 59 LYS CB . 11127 1 655 . 1 1 59 59 LYS CD C 13 26.740 0.300 . 1 . . . . 59 LYS CD . 11127 1 656 . 1 1 59 59 LYS CE C 13 39.737 0.300 . 1 . . . . 59 LYS CE . 11127 1 657 . 1 1 59 59 LYS CG C 13 22.857 0.300 . 1 . . . . 59 LYS CG . 11127 1 658 . 1 1 59 59 LYS N N 15 117.232 0.300 . 1 . . . . 59 LYS N . 11127 1 659 . 1 1 60 60 LYS HA H 1 4.224 0.030 . 1 . . . . 60 LYS HA . 11127 1 660 . 1 1 60 60 LYS HB2 H 1 1.462 0.030 . 2 . . . . 60 LYS HB2 . 11127 1 661 . 1 1 60 60 LYS HB3 H 1 1.648 0.030 . 2 . . . . 60 LYS HB3 . 11127 1 662 . 1 1 60 60 LYS HD2 H 1 1.531 0.030 . 1 . . . . 60 LYS HD2 . 11127 1 663 . 1 1 60 60 LYS HD3 H 1 1.531 0.030 . 1 . . . . 60 LYS HD3 . 11127 1 664 . 1 1 60 60 LYS HE2 H 1 2.823 0.030 . 1 . . . . 60 LYS HE2 . 11127 1 665 . 1 1 60 60 LYS HE3 H 1 2.823 0.030 . 1 . . . . 60 LYS HE3 . 11127 1 666 . 1 1 60 60 LYS HG2 H 1 1.214 0.030 . 1 . . . . 60 LYS HG2 . 11127 1 667 . 1 1 60 60 LYS HG3 H 1 1.214 0.030 . 1 . . . . 60 LYS HG3 . 11127 1 668 . 1 1 60 60 LYS C C 13 174.076 0.300 . 1 . . . . 60 LYS C . 11127 1 669 . 1 1 60 60 LYS CA C 13 53.241 0.300 . 1 . . . . 60 LYS CA . 11127 1 670 . 1 1 60 60 LYS CB C 13 31.455 0.300 . 1 . . . . 60 LYS CB . 11127 1 671 . 1 1 60 60 LYS CD C 13 26.347 0.300 . 1 . . . . 60 LYS CD . 11127 1 672 . 1 1 60 60 LYS CE C 13 39.859 0.300 . 1 . . . . 60 LYS CE . 11127 1 673 . 1 1 60 60 LYS CG C 13 22.260 0.300 . 1 . . . . 60 LYS CG . 11127 1 674 . 1 1 61 61 VAL H H 1 8.015 0.030 . 1 . . . . 61 VAL H . 11127 1 675 . 1 1 61 61 VAL HA H 1 3.920 0.030 . 1 . . . . 61 VAL HA . 11127 1 676 . 1 1 61 61 VAL HB H 1 1.916 0.030 . 1 . . . . 61 VAL HB . 11127 1 677 . 1 1 61 61 VAL HG11 H 1 0.796 0.030 . 1 . . . . 61 VAL HG1 . 11127 1 678 . 1 1 61 61 VAL HG12 H 1 0.796 0.030 . 1 . . . . 61 VAL HG1 . 11127 1 679 . 1 1 61 61 VAL HG13 H 1 0.796 0.030 . 1 . . . . 61 VAL HG1 . 11127 1 680 . 1 1 61 61 VAL HG21 H 1 0.819 0.030 . 1 . . . . 61 VAL HG2 . 11127 1 681 . 1 1 61 61 VAL HG22 H 1 0.819 0.030 . 1 . . . . 61 VAL HG2 . 11127 1 682 . 1 1 61 61 VAL HG23 H 1 0.819 0.030 . 1 . . . . 61 VAL HG2 . 11127 1 683 . 1 1 61 61 VAL C C 13 173.704 0.300 . 1 . . . . 61 VAL C . 11127 1 684 . 1 1 61 61 VAL CA C 13 60.244 0.300 . 1 . . . . 61 VAL CA . 11127 1 685 . 1 1 61 61 VAL CB C 13 29.768 0.300 . 1 . . . . 61 VAL CB . 11127 1 686 . 1 1 61 61 VAL CG1 C 13 18.666 0.300 . 2 . . . . 61 VAL CG1 . 11127 1 687 . 1 1 61 61 VAL CG2 C 13 18.382 0.300 . 2 . . . . 61 VAL CG2 . 11127 1 688 . 1 1 61 61 VAL N N 15 120.485 0.300 . 1 . . . . 61 VAL N . 11127 1 689 . 1 1 62 62 GLY H H 1 8.109 0.030 . 1 . . . . 62 GLY H . 11127 1 690 . 1 1 62 62 GLY HA2 H 1 4.062 0.030 . 2 . . . . 62 GLY HA2 . 11127 1 691 . 1 1 62 62 GLY HA3 H 1 3.730 0.030 . 2 . . . . 62 GLY HA3 . 11127 1 692 . 1 1 62 62 GLY C C 13 169.578 0.300 . 1 . . . . 62 GLY C . 11127 1 693 . 1 1 62 62 GLY CA C 13 42.441 0.300 . 1 . . . . 62 GLY CA . 11127 1 694 . 1 1 62 62 GLY N N 15 113.367 0.300 . 1 . . . . 62 GLY N . 11127 1 695 . 1 1 63 63 ASP H H 1 8.025 0.030 . 1 . . . . 63 ASP H . 11127 1 696 . 1 1 63 63 ASP HA H 1 4.653 0.030 . 1 . . . . 63 ASP HA . 11127 1 697 . 1 1 63 63 ASP HB2 H 1 2.354 0.030 . 2 . . . . 63 ASP HB2 . 11127 1 698 . 1 1 63 63 ASP HB3 H 1 2.724 0.030 . 2 . . . . 63 ASP HB3 . 11127 1 699 . 1 1 63 63 ASP C C 13 173.235 0.300 . 1 . . . . 63 ASP C . 11127 1 700 . 1 1 63 63 ASP CA C 13 50.338 0.300 . 1 . . . . 63 ASP CA . 11127 1 701 . 1 1 63 63 ASP CB C 13 41.177 0.300 . 1 . . . . 63 ASP CB . 11127 1 702 . 1 1 63 63 ASP N N 15 119.646 0.300 . 1 . . . . 63 ASP N . 11127 1 703 . 1 1 64 64 TRP H H 1 8.405 0.030 . 1 . . . . 64 TRP H . 11127 1 704 . 1 1 64 64 TRP HA H 1 4.127 0.030 . 1 . . . . 64 TRP HA . 11127 1 705 . 1 1 64 64 TRP HB2 H 1 2.739 0.030 . 1 . . . . 64 TRP HB2 . 11127 1 706 . 1 1 64 64 TRP HB3 H 1 2.739 0.030 . 1 . . . . 64 TRP HB3 . 11127 1 707 . 1 1 64 64 TRP HD1 H 1 7.239 0.030 . 1 . . . . 64 TRP HD1 . 11127 1 708 . 1 1 64 64 TRP HE1 H 1 10.091 0.030 . 1 . . . . 64 TRP HE1 . 11127 1 709 . 1 1 64 64 TRP HE3 H 1 6.930 0.030 . 1 . . . . 64 TRP HE3 . 11127 1 710 . 1 1 64 64 TRP HH2 H 1 6.602 0.030 . 1 . . . . 64 TRP HH2 . 11127 1 711 . 1 1 64 64 TRP HZ2 H 1 7.354 0.030 . 1 . . . . 64 TRP HZ2 . 11127 1 712 . 1 1 64 64 TRP HZ3 H 1 6.690 0.030 . 1 . . . . 64 TRP HZ3 . 11127 1 713 . 1 1 64 64 TRP C C 13 174.148 0.300 . 1 . . . . 64 TRP C . 11127 1 714 . 1 1 64 64 TRP CA C 13 56.175 0.300 . 1 . . . . 64 TRP CA . 11127 1 715 . 1 1 64 64 TRP CB C 13 27.085 0.300 . 1 . . . . 64 TRP CB . 11127 1 716 . 1 1 64 64 TRP CD1 C 13 125.753 0.300 . 1 . . . . 64 TRP CD1 . 11127 1 717 . 1 1 64 64 TRP CE3 C 13 117.143 0.300 . 1 . . . . 64 TRP CE3 . 11127 1 718 . 1 1 64 64 TRP CH2 C 13 120.160 0.300 . 1 . . . . 64 TRP CH2 . 11127 1 719 . 1 1 64 64 TRP CZ2 C 13 112.268 0.300 . 1 . . . . 64 TRP CZ2 . 11127 1 720 . 1 1 64 64 TRP CZ3 C 13 119.436 0.300 . 1 . . . . 64 TRP CZ3 . 11127 1 721 . 1 1 64 64 TRP N N 15 120.058 0.300 . 1 . . . . 64 TRP N . 11127 1 722 . 1 1 64 64 TRP NE1 N 15 130.420 0.300 . 1 . . . . 64 TRP NE1 . 11127 1 723 . 1 1 65 65 ILE H H 1 9.392 0.030 . 1 . . . . 65 ILE H . 11127 1 724 . 1 1 65 65 ILE HA H 1 4.179 0.030 . 1 . . . . 65 ILE HA . 11127 1 725 . 1 1 65 65 ILE HB H 1 1.195 0.030 . 1 . . . . 65 ILE HB . 11127 1 726 . 1 1 65 65 ILE HD11 H 1 0.680 0.030 . 1 . . . . 65 ILE HD1 . 11127 1 727 . 1 1 65 65 ILE HD12 H 1 0.680 0.030 . 1 . . . . 65 ILE HD1 . 11127 1 728 . 1 1 65 65 ILE HD13 H 1 0.680 0.030 . 1 . . . . 65 ILE HD1 . 11127 1 729 . 1 1 65 65 ILE HG12 H 1 0.968 0.030 . 2 . . . . 65 ILE HG12 . 11127 1 730 . 1 1 65 65 ILE HG13 H 1 1.337 0.030 . 2 . . . . 65 ILE HG13 . 11127 1 731 . 1 1 65 65 ILE HG21 H 1 0.701 0.030 . 1 . . . . 65 ILE HG2 . 11127 1 732 . 1 1 65 65 ILE HG22 H 1 0.701 0.030 . 1 . . . . 65 ILE HG2 . 11127 1 733 . 1 1 65 65 ILE HG23 H 1 0.701 0.030 . 1 . . . . 65 ILE HG2 . 11127 1 734 . 1 1 65 65 ILE C C 13 173.216 0.300 . 1 . . . . 65 ILE C . 11127 1 735 . 1 1 65 65 ILE CA C 13 57.196 0.300 . 1 . . . . 65 ILE CA . 11127 1 736 . 1 1 65 65 ILE CB C 13 38.357 0.300 . 1 . . . . 65 ILE CB . 11127 1 737 . 1 1 65 65 ILE CD1 C 13 10.652 0.300 . 1 . . . . 65 ILE CD1 . 11127 1 738 . 1 1 65 65 ILE CG1 C 13 24.596 0.300 . 1 . . . . 65 ILE CG1 . 11127 1 739 . 1 1 65 65 ILE CG2 C 13 15.094 0.300 . 1 . . . . 65 ILE CG2 . 11127 1 740 . 1 1 65 65 ILE N N 15 124.936 0.300 . 1 . . . . 65 ILE N . 11127 1 741 . 1 1 66 66 LEU H H 1 8.458 0.030 . 1 . . . . 66 LEU H . 11127 1 742 . 1 1 66 66 LEU HA H 1 4.137 0.030 . 1 . . . . 66 LEU HA . 11127 1 743 . 1 1 66 66 LEU HB2 H 1 1.521 0.030 . 2 . . . . 66 LEU HB2 . 11127 1 744 . 1 1 66 66 LEU HB3 H 1 1.706 0.030 . 2 . . . . 66 LEU HB3 . 11127 1 745 . 1 1 66 66 LEU HD11 H 1 0.831 0.030 . 1 . . . . 66 LEU HD1 . 11127 1 746 . 1 1 66 66 LEU HD12 H 1 0.831 0.030 . 1 . . . . 66 LEU HD1 . 11127 1 747 . 1 1 66 66 LEU HD13 H 1 0.831 0.030 . 1 . . . . 66 LEU HD1 . 11127 1 748 . 1 1 66 66 LEU HD21 H 1 0.794 0.030 . 1 . . . . 66 LEU HD2 . 11127 1 749 . 1 1 66 66 LEU HD22 H 1 0.794 0.030 . 1 . . . . 66 LEU HD2 . 11127 1 750 . 1 1 66 66 LEU HD23 H 1 0.794 0.030 . 1 . . . . 66 LEU HD2 . 11127 1 751 . 1 1 66 66 LEU HG H 1 1.410 0.030 . 1 . . . . 66 LEU HG . 11127 1 752 . 1 1 66 66 LEU C C 13 173.401 0.300 . 1 . . . . 66 LEU C . 11127 1 753 . 1 1 66 66 LEU CA C 13 54.145 0.300 . 1 . . . . 66 LEU CA . 11127 1 754 . 1 1 66 66 LEU CB C 13 39.365 0.300 . 1 . . . . 66 LEU CB . 11127 1 755 . 1 1 66 66 LEU CD1 C 13 21.630 0.300 . 2 . . . . 66 LEU CD1 . 11127 1 756 . 1 1 66 66 LEU CD2 C 13 23.144 0.300 . 2 . . . . 66 LEU CD2 . 11127 1 757 . 1 1 66 66 LEU CG C 13 24.840 0.300 . 1 . . . . 66 LEU CG . 11127 1 758 . 1 1 66 66 LEU N N 15 125.776 0.300 . 1 . . . . 66 LEU N . 11127 1 759 . 1 1 67 67 ALA H H 1 9.024 0.030 . 1 . . . . 67 ALA H . 11127 1 760 . 1 1 67 67 ALA HA H 1 4.462 0.030 . 1 . . . . 67 ALA HA . 11127 1 761 . 1 1 67 67 ALA HB1 H 1 1.270 0.030 . 1 . . . . 67 ALA HB . 11127 1 762 . 1 1 67 67 ALA HB2 H 1 1.270 0.030 . 1 . . . . 67 ALA HB . 11127 1 763 . 1 1 67 67 ALA HB3 H 1 1.270 0.030 . 1 . . . . 67 ALA HB . 11127 1 764 . 1 1 67 67 ALA C C 13 175.011 0.300 . 1 . . . . 67 ALA C . 11127 1 765 . 1 1 67 67 ALA CA C 13 50.585 0.300 . 1 . . . . 67 ALA CA . 11127 1 766 . 1 1 67 67 ALA CB C 13 18.178 0.300 . 1 . . . . 67 ALA CB . 11127 1 767 . 1 1 67 67 ALA N N 15 129.503 0.300 . 1 . . . . 67 ALA N . 11127 1 768 . 1 1 68 68 THR H H 1 7.490 0.030 . 1 . . . . 68 THR H . 11127 1 769 . 1 1 68 68 THR HA H 1 4.527 0.030 . 1 . . . . 68 THR HA . 11127 1 770 . 1 1 68 68 THR HB H 1 4.077 0.030 . 1 . . . . 68 THR HB . 11127 1 771 . 1 1 68 68 THR HG21 H 1 1.164 0.030 . 1 . . . . 68 THR HG2 . 11127 1 772 . 1 1 68 68 THR HG22 H 1 1.164 0.030 . 1 . . . . 68 THR HG2 . 11127 1 773 . 1 1 68 68 THR HG23 H 1 1.164 0.030 . 1 . . . . 68 THR HG2 . 11127 1 774 . 1 1 68 68 THR C C 13 170.383 0.300 . 1 . . . . 68 THR C . 11127 1 775 . 1 1 68 68 THR CA C 13 59.151 0.300 . 1 . . . . 68 THR CA . 11127 1 776 . 1 1 68 68 THR CB C 13 68.583 0.300 . 1 . . . . 68 THR CB . 11127 1 777 . 1 1 68 68 THR CG2 C 13 19.055 0.300 . 1 . . . . 68 THR CG2 . 11127 1 778 . 1 1 68 68 THR N N 15 109.453 0.300 . 1 . . . . 68 THR N . 11127 1 779 . 1 1 69 69 SER H H 1 8.457 0.030 . 1 . . . . 69 SER H . 11127 1 780 . 1 1 69 69 SER HA H 1 4.754 0.030 . 1 . . . . 69 SER HA . 11127 1 781 . 1 1 69 69 SER HB2 H 1 3.774 0.030 . 2 . . . . 69 SER HB2 . 11127 1 782 . 1 1 69 69 SER HB3 H 1 3.902 0.030 . 2 . . . . 69 SER HB3 . 11127 1 783 . 1 1 69 69 SER C C 13 170.514 0.300 . 1 . . . . 69 SER C . 11127 1 784 . 1 1 69 69 SER CA C 13 54.568 0.300 . 1 . . . . 69 SER CA . 11127 1 785 . 1 1 69 69 SER CB C 13 62.557 0.300 . 1 . . . . 69 SER CB . 11127 1 786 . 1 1 69 69 SER N N 15 118.730 0.300 . 1 . . . . 69 SER N . 11127 1 787 . 1 1 70 70 ALA H H 1 8.637 0.030 . 1 . . . . 70 ALA H . 11127 1 788 . 1 1 70 70 ALA HA H 1 4.030 0.030 . 1 . . . . 70 ALA HA . 11127 1 789 . 1 1 70 70 ALA HB1 H 1 1.324 0.030 . 1 . . . . 70 ALA HB . 11127 1 790 . 1 1 70 70 ALA HB2 H 1 1.324 0.030 . 1 . . . . 70 ALA HB . 11127 1 791 . 1 1 70 70 ALA HB3 H 1 1.324 0.030 . 1 . . . . 70 ALA HB . 11127 1 792 . 1 1 70 70 ALA C C 13 174.548 0.300 . 1 . . . . 70 ALA C . 11127 1 793 . 1 1 70 70 ALA CA C 13 50.620 0.300 . 1 . . . . 70 ALA CA . 11127 1 794 . 1 1 70 70 ALA CB C 13 15.224 0.300 . 1 . . . . 70 ALA CB . 11127 1 795 . 1 1 70 70 ALA N N 15 121.731 0.300 . 1 . . . . 70 ALA N . 11127 1 796 . 1 1 71 71 ILE H H 1 8.386 0.030 . 1 . . . . 71 ILE H . 11127 1 797 . 1 1 71 71 ILE HA H 1 4.373 0.030 . 1 . . . . 71 ILE HA . 11127 1 798 . 1 1 71 71 ILE HB H 1 1.923 0.030 . 1 . . . . 71 ILE HB . 11127 1 799 . 1 1 71 71 ILE HD11 H 1 0.753 0.030 . 1 . . . . 71 ILE HD1 . 11127 1 800 . 1 1 71 71 ILE HD12 H 1 0.753 0.030 . 1 . . . . 71 ILE HD1 . 11127 1 801 . 1 1 71 71 ILE HD13 H 1 0.753 0.030 . 1 . . . . 71 ILE HD1 . 11127 1 802 . 1 1 71 71 ILE HG12 H 1 1.566 0.030 . 2 . . . . 71 ILE HG12 . 11127 1 803 . 1 1 71 71 ILE HG13 H 1 1.109 0.030 . 2 . . . . 71 ILE HG13 . 11127 1 804 . 1 1 71 71 ILE HG21 H 1 1.385 0.030 . 1 . . . . 71 ILE HG2 . 11127 1 805 . 1 1 71 71 ILE HG22 H 1 1.385 0.030 . 1 . . . . 71 ILE HG2 . 11127 1 806 . 1 1 71 71 ILE HG23 H 1 1.385 0.030 . 1 . . . . 71 ILE HG2 . 11127 1 807 . 1 1 71 71 ILE C C 13 171.914 0.300 . 1 . . . . 71 ILE C . 11127 1 808 . 1 1 71 71 ILE CA C 13 56.930 0.300 . 1 . . . . 71 ILE CA . 11127 1 809 . 1 1 71 71 ILE CB C 13 37.690 0.300 . 1 . . . . 71 ILE CB . 11127 1 810 . 1 1 71 71 ILE CD1 C 13 12.949 0.300 . 1 . . . . 71 ILE CD1 . 11127 1 811 . 1 1 71 71 ILE CG1 C 13 25.823 0.300 . 1 . . . . 71 ILE CG1 . 11127 1 812 . 1 1 71 71 ILE CG2 C 13 15.059 0.300 . 1 . . . . 71 ILE CG2 . 11127 1 813 . 1 1 71 71 ILE N N 15 124.362 0.300 . 1 . . . . 71 ILE N . 11127 1 814 . 1 1 72 72 PRO HA H 1 4.656 0.030 . 1 . . . . 72 PRO HA . 11127 1 815 . 1 1 72 72 PRO HB2 H 1 2.489 0.030 . 2 . . . . 72 PRO HB2 . 11127 1 816 . 1 1 72 72 PRO HB3 H 1 1.918 0.030 . 2 . . . . 72 PRO HB3 . 11127 1 817 . 1 1 72 72 PRO HD2 H 1 3.682 0.030 . 2 . . . . 72 PRO HD2 . 11127 1 818 . 1 1 72 72 PRO HD3 H 1 4.119 0.030 . 2 . . . . 72 PRO HD3 . 11127 1 819 . 1 1 72 72 PRO HG2 H 1 2.064 0.030 . 1 . . . . 72 PRO HG2 . 11127 1 820 . 1 1 72 72 PRO HG3 H 1 2.064 0.030 . 1 . . . . 72 PRO HG3 . 11127 1 821 . 1 1 72 72 PRO CA C 13 59.296 0.300 . 1 . . . . 72 PRO CA . 11127 1 822 . 1 1 72 72 PRO CB C 13 29.313 0.300 . 1 . . . . 72 PRO CB . 11127 1 823 . 1 1 72 72 PRO CD C 13 48.970 0.300 . 1 . . . . 72 PRO CD . 11127 1 824 . 1 1 72 72 PRO CG C 13 25.263 0.300 . 1 . . . . 72 PRO CG . 11127 1 825 . 1 1 73 73 PRO HA H 1 4.372 0.030 . 1 . . . . 73 PRO HA . 11127 1 826 . 1 1 73 73 PRO HB2 H 1 1.583 0.030 . 2 . . . . 73 PRO HB2 . 11127 1 827 . 1 1 73 73 PRO HB3 H 1 1.922 0.030 . 2 . . . . 73 PRO HB3 . 11127 1 828 . 1 1 73 73 PRO HD2 H 1 3.676 0.030 . 2 . . . . 73 PRO HD2 . 11127 1 829 . 1 1 73 73 PRO HD3 H 1 3.752 0.030 . 2 . . . . 73 PRO HD3 . 11127 1 830 . 1 1 73 73 PRO HG2 H 1 1.763 0.030 . 2 . . . . 73 PRO HG2 . 11127 1 831 . 1 1 73 73 PRO HG3 H 1 1.933 0.030 . 2 . . . . 73 PRO HG3 . 11127 1 832 . 1 1 73 73 PRO C C 13 173.359 0.300 . 1 . . . . 73 PRO C . 11127 1 833 . 1 1 73 73 PRO CA C 13 61.844 0.300 . 1 . . . . 73 PRO CA . 11127 1 834 . 1 1 73 73 PRO CB C 13 29.541 0.300 . 1 . . . . 73 PRO CB . 11127 1 835 . 1 1 73 73 PRO CD C 13 47.371 0.300 . 1 . . . . 73 PRO CD . 11127 1 836 . 1 1 73 73 PRO CG C 13 25.458 0.300 . 1 . . . . 73 PRO CG . 11127 1 837 . 1 1 74 74 SER H H 1 7.166 0.030 . 1 . . . . 74 SER H . 11127 1 838 . 1 1 74 74 SER HA H 1 4.318 0.030 . 1 . . . . 74 SER HA . 11127 1 839 . 1 1 74 74 SER HB2 H 1 3.734 0.030 . 2 . . . . 74 SER HB2 . 11127 1 840 . 1 1 74 74 SER HB3 H 1 4.000 0.030 . 2 . . . . 74 SER HB3 . 11127 1 841 . 1 1 74 74 SER C C 13 171.659 0.300 . 1 . . . . 74 SER C . 11127 1 842 . 1 1 74 74 SER CA C 13 55.219 0.300 . 1 . . . . 74 SER CA . 11127 1 843 . 1 1 74 74 SER CB C 13 61.034 0.300 . 1 . . . . 74 SER CB . 11127 1 844 . 1 1 74 74 SER N N 15 108.247 0.300 . 1 . . . . 74 SER N . 11127 1 845 . 1 1 75 75 ARG H H 1 8.182 0.030 . 1 . . . . 75 ARG H . 11127 1 846 . 1 1 75 75 ARG HA H 1 4.297 0.030 . 1 . . . . 75 ARG HA . 11127 1 847 . 1 1 75 75 ARG HB2 H 1 1.800 0.030 . 2 . . . . 75 ARG HB2 . 11127 1 848 . 1 1 75 75 ARG HB3 H 1 1.934 0.030 . 2 . . . . 75 ARG HB3 . 11127 1 849 . 1 1 75 75 ARG HD2 H 1 3.176 0.030 . 2 . . . . 75 ARG HD2 . 11127 1 850 . 1 1 75 75 ARG HD3 H 1 3.242 0.030 . 2 . . . . 75 ARG HD3 . 11127 1 851 . 1 1 75 75 ARG HG2 H 1 1.544 0.030 . 2 . . . . 75 ARG HG2 . 11127 1 852 . 1 1 75 75 ARG HG3 H 1 1.605 0.030 . 2 . . . . 75 ARG HG3 . 11127 1 853 . 1 1 75 75 ARG C C 13 169.692 0.300 . 1 . . . . 75 ARG C . 11127 1 854 . 1 1 75 75 ARG CA C 13 53.229 0.300 . 1 . . . . 75 ARG CA . 11127 1 855 . 1 1 75 75 ARG CB C 13 29.001 0.300 . 1 . . . . 75 ARG CB . 11127 1 856 . 1 1 75 75 ARG CD C 13 41.177 0.300 . 1 . . . . 75 ARG CD . 11127 1 857 . 1 1 75 75 ARG CG C 13 24.982 0.300 . 1 . . . . 75 ARG CG . 11127 1 858 . 1 1 75 75 ARG N N 15 126.196 0.300 . 1 . . . . 75 ARG N . 11127 1 859 . 1 1 76 76 LEU H H 1 7.308 0.030 . 1 . . . . 76 LEU H . 11127 1 860 . 1 1 76 76 LEU HA H 1 3.256 0.030 . 1 . . . . 76 LEU HA . 11127 1 861 . 1 1 76 76 LEU HB2 H 1 1.370 0.030 . 2 . . . . 76 LEU HB2 . 11127 1 862 . 1 1 76 76 LEU HB3 H 1 0.857 0.030 . 2 . . . . 76 LEU HB3 . 11127 1 863 . 1 1 76 76 LEU HD11 H 1 0.689 0.030 . 1 . . . . 76 LEU HD1 . 11127 1 864 . 1 1 76 76 LEU HD12 H 1 0.689 0.030 . 1 . . . . 76 LEU HD1 . 11127 1 865 . 1 1 76 76 LEU HD13 H 1 0.689 0.030 . 1 . . . . 76 LEU HD1 . 11127 1 866 . 1 1 76 76 LEU HD21 H 1 0.425 0.030 . 1 . . . . 76 LEU HD2 . 11127 1 867 . 1 1 76 76 LEU HD22 H 1 0.425 0.030 . 1 . . . . 76 LEU HD2 . 11127 1 868 . 1 1 76 76 LEU HD23 H 1 0.425 0.030 . 1 . . . . 76 LEU HD2 . 11127 1 869 . 1 1 76 76 LEU HG H 1 1.153 0.030 . 1 . . . . 76 LEU HG . 11127 1 870 . 1 1 76 76 LEU C C 13 171.246 0.300 . 1 . . . . 76 LEU C . 11127 1 871 . 1 1 76 76 LEU CA C 13 49.844 0.300 . 1 . . . . 76 LEU CA . 11127 1 872 . 1 1 76 76 LEU CB C 13 38.345 0.300 . 1 . . . . 76 LEU CB . 11127 1 873 . 1 1 76 76 LEU CD1 C 13 23.134 0.300 . 2 . . . . 76 LEU CD1 . 11127 1 874 . 1 1 76 76 LEU CD2 C 13 21.216 0.300 . 2 . . . . 76 LEU CD2 . 11127 1 875 . 1 1 76 76 LEU CG C 13 24.617 0.300 . 1 . . . . 76 LEU CG . 11127 1 876 . 1 1 76 76 LEU N N 15 119.036 0.300 . 1 . . . . 76 LEU N . 11127 1 877 . 1 1 77 77 SER H H 1 6.482 0.030 . 1 . . . . 77 SER H . 11127 1 878 . 1 1 77 77 SER HA H 1 5.125 0.030 . 1 . . . . 77 SER HA . 11127 1 879 . 1 1 77 77 SER HB2 H 1 3.137 0.030 . 2 . . . . 77 SER HB2 . 11127 1 880 . 1 1 77 77 SER HB3 H 1 3.228 0.030 . 2 . . . . 77 SER HB3 . 11127 1 881 . 1 1 77 77 SER C C 13 172.140 0.300 . 1 . . . . 77 SER C . 11127 1 882 . 1 1 77 77 SER CA C 13 53.405 0.300 . 1 . . . . 77 SER CA . 11127 1 883 . 1 1 77 77 SER CB C 13 63.131 0.300 . 1 . . . . 77 SER CB . 11127 1 884 . 1 1 77 77 SER N N 15 107.332 0.300 . 1 . . . . 77 SER N . 11127 1 885 . 1 1 78 78 VAL H H 1 8.582 0.030 . 1 . . . . 78 VAL H . 11127 1 886 . 1 1 78 78 VAL HA H 1 4.601 0.030 . 1 . . . . 78 VAL HA . 11127 1 887 . 1 1 78 78 VAL HB H 1 2.185 0.030 . 1 . . . . 78 VAL HB . 11127 1 888 . 1 1 78 78 VAL HG11 H 1 0.990 0.030 . 1 . . . . 78 VAL HG1 . 11127 1 889 . 1 1 78 78 VAL HG12 H 1 0.990 0.030 . 1 . . . . 78 VAL HG1 . 11127 1 890 . 1 1 78 78 VAL HG13 H 1 0.990 0.030 . 1 . . . . 78 VAL HG1 . 11127 1 891 . 1 1 78 78 VAL HG21 H 1 0.989 0.030 . 1 . . . . 78 VAL HG2 . 11127 1 892 . 1 1 78 78 VAL HG22 H 1 0.989 0.030 . 1 . . . . 78 VAL HG2 . 11127 1 893 . 1 1 78 78 VAL HG23 H 1 0.989 0.030 . 1 . . . . 78 VAL HG2 . 11127 1 894 . 1 1 78 78 VAL C C 13 169.973 0.300 . 1 . . . . 78 VAL C . 11127 1 895 . 1 1 78 78 VAL CA C 13 57.459 0.300 . 1 . . . . 78 VAL CA . 11127 1 896 . 1 1 78 78 VAL CB C 13 33.884 0.300 . 1 . . . . 78 VAL CB . 11127 1 897 . 1 1 78 78 VAL CG1 C 13 19.426 0.300 . 2 . . . . 78 VAL CG1 . 11127 1 898 . 1 1 78 78 VAL CG2 C 13 17.861 0.300 . 2 . . . . 78 VAL CG2 . 11127 1 899 . 1 1 78 78 VAL N N 15 118.362 0.300 . 1 . . . . 78 VAL N . 11127 1 900 . 1 1 79 79 GLU H H 1 8.459 0.030 . 1 . . . . 79 GLU H . 11127 1 901 . 1 1 79 79 GLU HA H 1 5.190 0.030 . 1 . . . . 79 GLU HA . 11127 1 902 . 1 1 79 79 GLU HB2 H 1 1.884 0.030 . 2 . . . . 79 GLU HB2 . 11127 1 903 . 1 1 79 79 GLU HB3 H 1 1.564 0.030 . 2 . . . . 79 GLU HB3 . 11127 1 904 . 1 1 79 79 GLU HG2 H 1 1.402 0.030 . 2 . . . . 79 GLU HG2 . 11127 1 905 . 1 1 79 79 GLU HG3 H 1 1.525 0.030 . 2 . . . . 79 GLU HG3 . 11127 1 906 . 1 1 79 79 GLU C C 13 173.501 0.300 . 1 . . . . 79 GLU C . 11127 1 907 . 1 1 79 79 GLU CA C 13 51.501 0.300 . 1 . . . . 79 GLU CA . 11127 1 908 . 1 1 79 79 GLU CB C 13 28.800 0.300 . 1 . . . . 79 GLU CB . 11127 1 909 . 1 1 79 79 GLU CG C 13 33.515 0.300 . 1 . . . . 79 GLU CG . 11127 1 910 . 1 1 79 79 GLU N N 15 125.236 0.300 . 1 . . . . 79 GLU N . 11127 1 911 . 1 1 80 80 ILE H H 1 8.889 0.030 . 1 . . . . 80 ILE H . 11127 1 912 . 1 1 80 80 ILE HA H 1 4.354 0.030 . 1 . . . . 80 ILE HA . 11127 1 913 . 1 1 80 80 ILE HB H 1 1.591 0.030 . 1 . . . . 80 ILE HB . 11127 1 914 . 1 1 80 80 ILE HD11 H 1 0.591 0.030 . 1 . . . . 80 ILE HD1 . 11127 1 915 . 1 1 80 80 ILE HD12 H 1 0.591 0.030 . 1 . . . . 80 ILE HD1 . 11127 1 916 . 1 1 80 80 ILE HD13 H 1 0.591 0.030 . 1 . . . . 80 ILE HD1 . 11127 1 917 . 1 1 80 80 ILE HG12 H 1 1.016 0.030 . 2 . . . . 80 ILE HG12 . 11127 1 918 . 1 1 80 80 ILE HG13 H 1 1.295 0.030 . 2 . . . . 80 ILE HG13 . 11127 1 919 . 1 1 80 80 ILE HG21 H 1 0.752 0.030 . 1 . . . . 80 ILE HG2 . 11127 1 920 . 1 1 80 80 ILE HG22 H 1 0.752 0.030 . 1 . . . . 80 ILE HG2 . 11127 1 921 . 1 1 80 80 ILE HG23 H 1 0.752 0.030 . 1 . . . . 80 ILE HG2 . 11127 1 922 . 1 1 80 80 ILE C C 13 172.892 0.300 . 1 . . . . 80 ILE C . 11127 1 923 . 1 1 80 80 ILE CA C 13 56.155 0.300 . 1 . . . . 80 ILE CA . 11127 1 924 . 1 1 80 80 ILE CB C 13 34.204 0.300 . 1 . . . . 80 ILE CB . 11127 1 925 . 1 1 80 80 ILE CD1 C 13 8.866 0.300 . 1 . . . . 80 ILE CD1 . 11127 1 926 . 1 1 80 80 ILE CG1 C 13 24.856 0.300 . 1 . . . . 80 ILE CG1 . 11127 1 927 . 1 1 80 80 ILE CG2 C 13 14.979 0.300 . 1 . . . . 80 ILE CG2 . 11127 1 928 . 1 1 80 80 ILE N N 15 128.664 0.300 . 1 . . . . 80 ILE N . 11127 1 929 . 1 1 81 81 THR H H 1 8.023 0.030 . 1 . . . . 81 THR H . 11127 1 930 . 1 1 81 81 THR HA H 1 4.403 0.030 . 1 . . . . 81 THR HA . 11127 1 931 . 1 1 81 81 THR HB H 1 4.258 0.030 . 1 . . . . 81 THR HB . 11127 1 932 . 1 1 81 81 THR HG21 H 1 0.928 0.030 . 1 . . . . 81 THR HG2 . 11127 1 933 . 1 1 81 81 THR HG22 H 1 0.928 0.030 . 1 . . . . 81 THR HG2 . 11127 1 934 . 1 1 81 81 THR HG23 H 1 0.928 0.030 . 1 . . . . 81 THR HG2 . 11127 1 935 . 1 1 81 81 THR C C 13 172.144 0.300 . 1 . . . . 81 THR C . 11127 1 936 . 1 1 81 81 THR CA C 13 57.212 0.300 . 1 . . . . 81 THR CA . 11127 1 937 . 1 1 81 81 THR CB C 13 68.455 0.300 . 1 . . . . 81 THR CB . 11127 1 938 . 1 1 81 81 THR CG2 C 13 18.814 0.300 . 1 . . . . 81 THR CG2 . 11127 1 939 . 1 1 81 81 THR N N 15 115.267 0.300 . 1 . . . . 81 THR N . 11127 1 940 . 1 1 82 82 GLY H H 1 8.752 0.030 . 1 . . . . 82 GLY H . 11127 1 941 . 1 1 82 82 GLY HA2 H 1 3.722 0.030 . 2 . . . . 82 GLY HA2 . 11127 1 942 . 1 1 82 82 GLY HA3 H 1 3.842 0.030 . 2 . . . . 82 GLY HA3 . 11127 1 943 . 1 1 82 82 GLY C C 13 173.248 0.300 . 1 . . . . 82 GLY C . 11127 1 944 . 1 1 82 82 GLY CA C 13 43.957 0.300 . 1 . . . . 82 GLY CA . 11127 1 945 . 1 1 82 82 GLY N N 15 105.683 0.300 . 1 . . . . 82 GLY N . 11127 1 946 . 1 1 83 83 LEU H H 1 8.109 0.030 . 1 . . . . 83 LEU H . 11127 1 947 . 1 1 83 83 LEU HA H 1 4.018 0.030 . 1 . . . . 83 LEU HA . 11127 1 948 . 1 1 83 83 LEU HB2 H 1 1.099 0.030 . 1 . . . . 83 LEU HB2 . 11127 1 949 . 1 1 83 83 LEU HB3 H 1 1.099 0.030 . 1 . . . . 83 LEU HB3 . 11127 1 950 . 1 1 83 83 LEU HD11 H 1 0.298 0.030 . 1 . . . . 83 LEU HD1 . 11127 1 951 . 1 1 83 83 LEU HD12 H 1 0.298 0.030 . 1 . . . . 83 LEU HD1 . 11127 1 952 . 1 1 83 83 LEU HD13 H 1 0.298 0.030 . 1 . . . . 83 LEU HD1 . 11127 1 953 . 1 1 83 83 LEU HD21 H 1 -0.229 0.030 . 1 . . . . 83 LEU HD2 . 11127 1 954 . 1 1 83 83 LEU HD22 H 1 -0.229 0.030 . 1 . . . . 83 LEU HD2 . 11127 1 955 . 1 1 83 83 LEU HD23 H 1 -0.229 0.030 . 1 . . . . 83 LEU HD2 . 11127 1 956 . 1 1 83 83 LEU HG H 1 1.189 0.030 . 1 . . . . 83 LEU HG . 11127 1 957 . 1 1 83 83 LEU C C 13 173.620 0.300 . 1 . . . . 83 LEU C . 11127 1 958 . 1 1 83 83 LEU CA C 13 52.065 0.300 . 1 . . . . 83 LEU CA . 11127 1 959 . 1 1 83 83 LEU CB C 13 39.084 0.300 . 1 . . . . 83 LEU CB . 11127 1 960 . 1 1 83 83 LEU CD1 C 13 24.765 0.300 . 2 . . . . 83 LEU CD1 . 11127 1 961 . 1 1 83 83 LEU CD2 C 13 17.773 0.300 . 2 . . . . 83 LEU CD2 . 11127 1 962 . 1 1 83 83 LEU CG C 13 24.110 0.300 . 1 . . . . 83 LEU CG . 11127 1 963 . 1 1 83 83 LEU N N 15 118.659 0.300 . 1 . . . . 83 LEU N . 11127 1 964 . 1 1 84 84 GLU H H 1 8.224 0.030 . 1 . . . . 84 GLU H . 11127 1 965 . 1 1 84 84 GLU HA H 1 4.213 0.030 . 1 . . . . 84 GLU HA . 11127 1 966 . 1 1 84 84 GLU HB2 H 1 1.870 0.030 . 1 . . . . 84 GLU HB2 . 11127 1 967 . 1 1 84 84 GLU HB3 H 1 1.870 0.030 . 1 . . . . 84 GLU HB3 . 11127 1 968 . 1 1 84 84 GLU HG2 H 1 2.171 0.030 . 1 . . . . 84 GLU HG2 . 11127 1 969 . 1 1 84 84 GLU HG3 H 1 2.171 0.030 . 1 . . . . 84 GLU HG3 . 11127 1 970 . 1 1 84 84 GLU C C 13 173.216 0.300 . 1 . . . . 84 GLU C . 11127 1 971 . 1 1 84 84 GLU CA C 13 53.405 0.300 . 1 . . . . 84 GLU CA . 11127 1 972 . 1 1 84 84 GLU CB C 13 29.231 0.300 . 1 . . . . 84 GLU CB . 11127 1 973 . 1 1 84 84 GLU CG C 13 34.174 0.300 . 1 . . . . 84 GLU CG . 11127 1 974 . 1 1 84 84 GLU N N 15 120.491 0.300 . 1 . . . . 84 GLU N . 11127 1 975 . 1 1 85 85 LYS H H 1 8.170 0.030 . 1 . . . . 85 LYS H . 11127 1 976 . 1 1 85 85 LYS HA H 1 3.805 0.030 . 1 . . . . 85 LYS HA . 11127 1 977 . 1 1 85 85 LYS HB2 H 1 1.632 0.030 . 1 . . . . 85 LYS HB2 . 11127 1 978 . 1 1 85 85 LYS HB3 H 1 1.632 0.030 . 1 . . . . 85 LYS HB3 . 11127 1 979 . 1 1 85 85 LYS HD2 H 1 1.586 0.030 . 1 . . . . 85 LYS HD2 . 11127 1 980 . 1 1 85 85 LYS HD3 H 1 1.586 0.030 . 1 . . . . 85 LYS HD3 . 11127 1 981 . 1 1 85 85 LYS HE2 H 1 2.799 0.030 . 1 . . . . 85 LYS HE2 . 11127 1 982 . 1 1 85 85 LYS HE3 H 1 2.799 0.030 . 1 . . . . 85 LYS HE3 . 11127 1 983 . 1 1 85 85 LYS HG2 H 1 1.273 0.030 . 2 . . . . 85 LYS HG2 . 11127 1 984 . 1 1 85 85 LYS HG3 H 1 1.431 0.030 . 2 . . . . 85 LYS HG3 . 11127 1 985 . 1 1 85 85 LYS C C 13 175.536 0.300 . 1 . . . . 85 LYS C . 11127 1 986 . 1 1 85 85 LYS CA C 13 55.886 0.300 . 1 . . . . 85 LYS CA . 11127 1 987 . 1 1 85 85 LYS CB C 13 30.309 0.300 . 1 . . . . 85 LYS CB . 11127 1 988 . 1 1 85 85 LYS CD C 13 27.335 0.300 . 1 . . . . 85 LYS CD . 11127 1 989 . 1 1 85 85 LYS CE C 13 39.783 0.300 . 1 . . . . 85 LYS CE . 11127 1 990 . 1 1 85 85 LYS CG C 13 23.249 0.300 . 1 . . . . 85 LYS CG . 11127 1 991 . 1 1 85 85 LYS N N 15 121.685 0.300 . 1 . . . . 85 LYS N . 11127 1 992 . 1 1 86 86 GLY H H 1 8.426 0.030 . 1 . . . . 86 GLY H . 11127 1 993 . 1 1 86 86 GLY HA2 H 1 4.028 0.030 . 2 . . . . 86 GLY HA2 . 11127 1 994 . 1 1 86 86 GLY HA3 H 1 3.534 0.030 . 2 . . . . 86 GLY HA3 . 11127 1 995 . 1 1 86 86 GLY C C 13 171.018 0.300 . 1 . . . . 86 GLY C . 11127 1 996 . 1 1 86 86 GLY CA C 13 43.041 0.300 . 1 . . . . 86 GLY CA . 11127 1 997 . 1 1 86 86 GLY N N 15 110.460 0.300 . 1 . . . . 86 GLY N . 11127 1 998 . 1 1 87 87 ILE H H 1 7.427 0.030 . 1 . . . . 87 ILE H . 11127 1 999 . 1 1 87 87 ILE HA H 1 4.148 0.030 . 1 . . . . 87 ILE HA . 11127 1 1000 . 1 1 87 87 ILE HB H 1 2.073 0.030 . 1 . . . . 87 ILE HB . 11127 1 1001 . 1 1 87 87 ILE HD11 H 1 0.540 0.030 . 1 . . . . 87 ILE HD1 . 11127 1 1002 . 1 1 87 87 ILE HD12 H 1 0.540 0.030 . 1 . . . . 87 ILE HD1 . 11127 1 1003 . 1 1 87 87 ILE HD13 H 1 0.540 0.030 . 1 . . . . 87 ILE HD1 . 11127 1 1004 . 1 1 87 87 ILE HG12 H 1 1.109 0.030 . 1 . . . . 87 ILE HG12 . 11127 1 1005 . 1 1 87 87 ILE HG13 H 1 1.109 0.030 . 1 . . . . 87 ILE HG13 . 11127 1 1006 . 1 1 87 87 ILE HG21 H 1 0.306 0.030 . 1 . . . . 87 ILE HG2 . 11127 1 1007 . 1 1 87 87 ILE HG22 H 1 0.306 0.030 . 1 . . . . 87 ILE HG2 . 11127 1 1008 . 1 1 87 87 ILE HG23 H 1 0.306 0.030 . 1 . . . . 87 ILE HG2 . 11127 1 1009 . 1 1 87 87 ILE C C 13 171.822 0.300 . 1 . . . . 87 ILE C . 11127 1 1010 . 1 1 87 87 ILE CA C 13 55.802 0.300 . 1 . . . . 87 ILE CA . 11127 1 1011 . 1 1 87 87 ILE CB C 13 34.871 0.300 . 1 . . . . 87 ILE CB . 11127 1 1012 . 1 1 87 87 ILE CD1 C 13 8.244 0.300 . 1 . . . . 87 ILE CD1 . 11127 1 1013 . 1 1 87 87 ILE CG1 C 13 25.295 0.300 . 1 . . . . 87 ILE CG1 . 11127 1 1014 . 1 1 87 87 ILE CG2 C 13 15.199 0.300 . 1 . . . . 87 ILE CG2 . 11127 1 1015 . 1 1 87 87 ILE N N 15 121.553 0.300 . 1 . . . . 87 ILE N . 11127 1 1016 . 1 1 88 88 SER H H 1 7.972 0.030 . 1 . . . . 88 SER H . 11127 1 1017 . 1 1 88 88 SER HA H 1 5.512 0.030 . 1 . . . . 88 SER HA . 11127 1 1018 . 1 1 88 88 SER HB2 H 1 3.553 0.030 . 2 . . . . 88 SER HB2 . 11127 1 1019 . 1 1 88 88 SER HB3 H 1 3.451 0.030 . 2 . . . . 88 SER HB3 . 11127 1 1020 . 1 1 88 88 SER C C 13 170.867 0.300 . 1 . . . . 88 SER C . 11127 1 1021 . 1 1 88 88 SER CA C 13 54.392 0.300 . 1 . . . . 88 SER CA . 11127 1 1022 . 1 1 88 88 SER CB C 13 62.746 0.300 . 1 . . . . 88 SER CB . 11127 1 1023 . 1 1 88 88 SER N N 15 118.360 0.300 . 1 . . . . 88 SER N . 11127 1 1024 . 1 1 89 89 TYR H H 1 9.190 0.030 . 1 . . . . 89 TYR H . 11127 1 1025 . 1 1 89 89 TYR HA H 1 5.165 0.030 . 1 . . . . 89 TYR HA . 11127 1 1026 . 1 1 89 89 TYR HB2 H 1 2.531 0.030 . 2 . . . . 89 TYR HB2 . 11127 1 1027 . 1 1 89 89 TYR HB3 H 1 2.122 0.030 . 2 . . . . 89 TYR HB3 . 11127 1 1028 . 1 1 89 89 TYR HD1 H 1 6.679 0.030 . 1 . . . . 89 TYR HD1 . 11127 1 1029 . 1 1 89 89 TYR HD2 H 1 6.679 0.030 . 1 . . . . 89 TYR HD2 . 11127 1 1030 . 1 1 89 89 TYR HE1 H 1 6.520 0.030 . 1 . . . . 89 TYR HE1 . 11127 1 1031 . 1 1 89 89 TYR HE2 H 1 6.520 0.030 . 1 . . . . 89 TYR HE2 . 11127 1 1032 . 1 1 89 89 TYR C C 13 173.978 0.300 . 1 . . . . 89 TYR C . 11127 1 1033 . 1 1 89 89 TYR CA C 13 54.780 0.300 . 1 . . . . 89 TYR CA . 11127 1 1034 . 1 1 89 89 TYR CB C 13 43.319 0.300 . 1 . . . . 89 TYR CB . 11127 1 1035 . 1 1 89 89 TYR CD1 C 13 130.665 0.300 . 1 . . . . 89 TYR CD1 . 11127 1 1036 . 1 1 89 89 TYR CD2 C 13 130.665 0.300 . 1 . . . . 89 TYR CD2 . 11127 1 1037 . 1 1 89 89 TYR CE1 C 13 116.023 0.300 . 1 . . . . 89 TYR CE1 . 11127 1 1038 . 1 1 89 89 TYR CE2 C 13 116.023 0.300 . 1 . . . . 89 TYR CE2 . 11127 1 1039 . 1 1 89 89 TYR N N 15 121.652 0.300 . 1 . . . . 89 TYR N . 11127 1 1040 . 1 1 90 90 LYS H H 1 8.050 0.030 . 1 . . . . 90 LYS H . 11127 1 1041 . 1 1 90 90 LYS HA H 1 4.509 0.030 . 1 . . . . 90 LYS HA . 11127 1 1042 . 1 1 90 90 LYS HB2 H 1 1.882 0.030 . 2 . . . . 90 LYS HB2 . 11127 1 1043 . 1 1 90 90 LYS HB3 H 1 1.429 0.030 . 2 . . . . 90 LYS HB3 . 11127 1 1044 . 1 1 90 90 LYS HD2 H 1 1.619 0.030 . 2 . . . . 90 LYS HD2 . 11127 1 1045 . 1 1 90 90 LYS HD3 H 1 1.716 0.030 . 2 . . . . 90 LYS HD3 . 11127 1 1046 . 1 1 90 90 LYS HE2 H 1 2.716 0.030 . 2 . . . . 90 LYS HE2 . 11127 1 1047 . 1 1 90 90 LYS HE3 H 1 2.775 0.030 . 2 . . . . 90 LYS HE3 . 11127 1 1048 . 1 1 90 90 LYS HG2 H 1 1.283 0.030 . 1 . . . . 90 LYS HG2 . 11127 1 1049 . 1 1 90 90 LYS HG3 H 1 1.283 0.030 . 1 . . . . 90 LYS HG3 . 11127 1 1050 . 1 1 90 90 LYS C C 13 171.664 0.300 . 1 . . . . 90 LYS C . 11127 1 1051 . 1 1 90 90 LYS CA C 13 53.476 0.300 . 1 . . . . 90 LYS CA . 11127 1 1052 . 1 1 90 90 LYS CB C 13 36.047 0.300 . 1 . . . . 90 LYS CB . 11127 1 1053 . 1 1 90 90 LYS CD C 13 27.983 0.300 . 1 . . . . 90 LYS CD . 11127 1 1054 . 1 1 90 90 LYS CE C 13 39.976 0.300 . 1 . . . . 90 LYS CE . 11127 1 1055 . 1 1 90 90 LYS CG C 13 23.710 0.300 . 1 . . . . 90 LYS CG . 11127 1 1056 . 1 1 90 90 LYS N N 15 114.329 0.300 . 1 . . . . 90 LYS N . 11127 1 1057 . 1 1 91 91 PHE H H 1 8.324 0.030 . 1 . . . . 91 PHE H . 11127 1 1058 . 1 1 91 91 PHE HA H 1 5.808 0.030 . 1 . . . . 91 PHE HA . 11127 1 1059 . 1 1 91 91 PHE HB2 H 1 2.648 0.030 . 2 . . . . 91 PHE HB2 . 11127 1 1060 . 1 1 91 91 PHE HB3 H 1 2.854 0.030 . 2 . . . . 91 PHE HB3 . 11127 1 1061 . 1 1 91 91 PHE HD1 H 1 7.084 0.030 . 1 . . . . 91 PHE HD1 . 11127 1 1062 . 1 1 91 91 PHE HD2 H 1 7.084 0.030 . 1 . . . . 91 PHE HD2 . 11127 1 1063 . 1 1 91 91 PHE HE1 H 1 6.764 0.030 . 1 . . . . 91 PHE HE1 . 11127 1 1064 . 1 1 91 91 PHE HE2 H 1 6.764 0.030 . 1 . . . . 91 PHE HE2 . 11127 1 1065 . 1 1 91 91 PHE HZ H 1 6.447 0.030 . 1 . . . . 91 PHE HZ . 11127 1 1066 . 1 1 91 91 PHE C C 13 172.241 0.300 . 1 . . . . 91 PHE C . 11127 1 1067 . 1 1 91 91 PHE CA C 13 54.648 0.300 . 1 . . . . 91 PHE CA . 11127 1 1068 . 1 1 91 91 PHE CB C 13 41.632 0.300 . 1 . . . . 91 PHE CB . 11127 1 1069 . 1 1 91 91 PHE CD1 C 13 130.407 0.300 . 1 . . . . 91 PHE CD1 . 11127 1 1070 . 1 1 91 91 PHE CD2 C 13 130.407 0.300 . 1 . . . . 91 PHE CD2 . 11127 1 1071 . 1 1 91 91 PHE CE1 C 13 127.859 0.300 . 1 . . . . 91 PHE CE1 . 11127 1 1072 . 1 1 91 91 PHE CE2 C 13 127.859 0.300 . 1 . . . . 91 PHE CE2 . 11127 1 1073 . 1 1 91 91 PHE CZ C 13 127.222 0.300 . 1 . . . . 91 PHE CZ . 11127 1 1074 . 1 1 91 91 PHE N N 15 114.734 0.300 . 1 . . . . 91 PHE N . 11127 1 1075 . 1 1 92 92 ARG H H 1 9.421 0.030 . 1 . . . . 92 ARG H . 11127 1 1076 . 1 1 92 92 ARG HA H 1 4.462 0.030 . 1 . . . . 92 ARG HA . 11127 1 1077 . 1 1 92 92 ARG HB2 H 1 0.905 0.030 . 2 . . . . 92 ARG HB2 . 11127 1 1078 . 1 1 92 92 ARG HB3 H 1 1.730 0.030 . 2 . . . . 92 ARG HB3 . 11127 1 1079 . 1 1 92 92 ARG HD2 H 1 1.889 0.030 . 2 . . . . 92 ARG HD2 . 11127 1 1080 . 1 1 92 92 ARG HD3 H 1 0.204 0.030 . 2 . . . . 92 ARG HD3 . 11127 1 1081 . 1 1 92 92 ARG HE H 1 6.645 0.030 . 1 . . . . 92 ARG HE . 11127 1 1082 . 1 1 92 92 ARG HG2 H 1 1.032 0.030 . 2 . . . . 92 ARG HG2 . 11127 1 1083 . 1 1 92 92 ARG HG3 H 1 0.596 0.030 . 2 . . . . 92 ARG HG3 . 11127 1 1084 . 1 1 92 92 ARG C C 13 169.588 0.300 . 1 . . . . 92 ARG C . 11127 1 1085 . 1 1 92 92 ARG CA C 13 52.787 0.300 . 1 . . . . 92 ARG CA . 11127 1 1086 . 1 1 92 92 ARG CB C 13 29.807 0.300 . 1 . . . . 92 ARG CB . 11127 1 1087 . 1 1 92 92 ARG CD C 13 39.551 0.300 . 1 . . . . 92 ARG CD . 11127 1 1088 . 1 1 92 92 ARG CG C 13 22.469 0.300 . 1 . . . . 92 ARG CG . 11127 1 1089 . 1 1 92 92 ARG N N 15 117.390 0.300 . 1 . . . . 92 ARG N . 11127 1 1090 . 1 1 92 92 ARG NE N 15 83.284 0.300 . 1 . . . . 92 ARG NE . 11127 1 1091 . 1 1 93 93 VAL H H 1 8.199 0.030 . 1 . . . . 93 VAL H . 11127 1 1092 . 1 1 93 93 VAL HA H 1 4.902 0.030 . 1 . . . . 93 VAL HA . 11127 1 1093 . 1 1 93 93 VAL HB H 1 1.016 0.030 . 1 . . . . 93 VAL HB . 11127 1 1094 . 1 1 93 93 VAL HG11 H 1 -0.232 0.030 . 1 . . . . 93 VAL HG1 . 11127 1 1095 . 1 1 93 93 VAL HG12 H 1 -0.232 0.030 . 1 . . . . 93 VAL HG1 . 11127 1 1096 . 1 1 93 93 VAL HG13 H 1 -0.232 0.030 . 1 . . . . 93 VAL HG1 . 11127 1 1097 . 1 1 93 93 VAL HG21 H 1 0.109 0.030 . 1 . . . . 93 VAL HG2 . 11127 1 1098 . 1 1 93 93 VAL HG22 H 1 0.109 0.030 . 1 . . . . 93 VAL HG2 . 11127 1 1099 . 1 1 93 93 VAL HG23 H 1 0.109 0.030 . 1 . . . . 93 VAL HG2 . 11127 1 1100 . 1 1 93 93 VAL C C 13 172.017 0.300 . 1 . . . . 93 VAL C . 11127 1 1101 . 1 1 93 93 VAL CA C 13 57.494 0.300 . 1 . . . . 93 VAL CA . 11127 1 1102 . 1 1 93 93 VAL CB C 13 33.707 0.300 . 1 . . . . 93 VAL CB . 11127 1 1103 . 1 1 93 93 VAL CG1 C 13 17.036 0.300 . 2 . . . . 93 VAL CG1 . 11127 1 1104 . 1 1 93 93 VAL CG2 C 13 18.023 0.300 . 2 . . . . 93 VAL CG2 . 11127 1 1105 . 1 1 93 93 VAL N N 15 118.174 0.300 . 1 . . . . 93 VAL N . 11127 1 1106 . 1 1 94 94 ARG H H 1 8.602 0.030 . 1 . . . . 94 ARG H . 11127 1 1107 . 1 1 94 94 ARG HA H 1 4.309 0.030 . 1 . . . . 94 ARG HA . 11127 1 1108 . 1 1 94 94 ARG HB2 H 1 1.118 0.030 . 2 . . . . 94 ARG HB2 . 11127 1 1109 . 1 1 94 94 ARG HB3 H 1 1.535 0.030 . 2 . . . . 94 ARG HB3 . 11127 1 1110 . 1 1 94 94 ARG HD2 H 1 2.590 0.030 . 2 . . . . 94 ARG HD2 . 11127 1 1111 . 1 1 94 94 ARG HD3 H 1 2.943 0.030 . 2 . . . . 94 ARG HD3 . 11127 1 1112 . 1 1 94 94 ARG HE H 1 7.321 0.030 . 1 . . . . 94 ARG HE . 11127 1 1113 . 1 1 94 94 ARG HG2 H 1 1.005 0.030 . 2 . . . . 94 ARG HG2 . 11127 1 1114 . 1 1 94 94 ARG HG3 H 1 1.108 0.030 . 2 . . . . 94 ARG HG3 . 11127 1 1115 . 1 1 94 94 ARG C C 13 171.507 0.300 . 1 . . . . 94 ARG C . 11127 1 1116 . 1 1 94 94 ARG CA C 13 51.572 0.300 . 1 . . . . 94 ARG CA . 11127 1 1117 . 1 1 94 94 ARG CB C 13 32.180 0.300 . 1 . . . . 94 ARG CB . 11127 1 1118 . 1 1 94 94 ARG CD C 13 41.560 0.300 . 1 . . . . 94 ARG CD . 11127 1 1119 . 1 1 94 94 ARG CG C 13 25.974 0.300 . 1 . . . . 94 ARG CG . 11127 1 1120 . 1 1 94 94 ARG N N 15 121.310 0.300 . 1 . . . . 94 ARG N . 11127 1 1121 . 1 1 94 94 ARG NE N 15 84.212 0.300 . 1 . . . . 94 ARG NE . 11127 1 1122 . 1 1 95 95 ALA H H 1 8.869 0.030 . 1 . . . . 95 ALA H . 11127 1 1123 . 1 1 95 95 ALA HA H 1 5.006 0.030 . 1 . . . . 95 ALA HA . 11127 1 1124 . 1 1 95 95 ALA HB1 H 1 1.327 0.030 . 1 . . . . 95 ALA HB . 11127 1 1125 . 1 1 95 95 ALA HB2 H 1 1.327 0.030 . 1 . . . . 95 ALA HB . 11127 1 1126 . 1 1 95 95 ALA HB3 H 1 1.327 0.030 . 1 . . . . 95 ALA HB . 11127 1 1127 . 1 1 95 95 ALA C C 13 172.766 0.300 . 1 . . . . 95 ALA C . 11127 1 1128 . 1 1 95 95 ALA CA C 13 48.117 0.300 . 1 . . . . 95 ALA CA . 11127 1 1129 . 1 1 95 95 ALA CB C 13 20.929 0.300 . 1 . . . . 95 ALA CB . 11127 1 1130 . 1 1 95 95 ALA N N 15 122.929 0.300 . 1 . . . . 95 ALA N . 11127 1 1131 . 1 1 96 96 LEU H H 1 8.535 0.030 . 1 . . . . 96 LEU H . 11127 1 1132 . 1 1 96 96 LEU HA H 1 5.093 0.030 . 1 . . . . 96 LEU HA . 11127 1 1133 . 1 1 96 96 LEU HB2 H 1 1.507 0.030 . 2 . . . . 96 LEU HB2 . 11127 1 1134 . 1 1 96 96 LEU HB3 H 1 1.449 0.030 . 2 . . . . 96 LEU HB3 . 11127 1 1135 . 1 1 96 96 LEU HD11 H 1 0.609 0.030 . 1 . . . . 96 LEU HD1 . 11127 1 1136 . 1 1 96 96 LEU HD12 H 1 0.609 0.030 . 1 . . . . 96 LEU HD1 . 11127 1 1137 . 1 1 96 96 LEU HD13 H 1 0.609 0.030 . 1 . . . . 96 LEU HD1 . 11127 1 1138 . 1 1 96 96 LEU HD21 H 1 0.546 0.030 . 1 . . . . 96 LEU HD2 . 11127 1 1139 . 1 1 96 96 LEU HD22 H 1 0.546 0.030 . 1 . . . . 96 LEU HD2 . 11127 1 1140 . 1 1 96 96 LEU HD23 H 1 0.546 0.030 . 1 . . . . 96 LEU HD2 . 11127 1 1141 . 1 1 96 96 LEU HG H 1 1.405 0.030 . 1 . . . . 96 LEU HG . 11127 1 1142 . 1 1 96 96 LEU C C 13 174.663 0.300 . 1 . . . . 96 LEU C . 11127 1 1143 . 1 1 96 96 LEU CA C 13 53.299 0.300 . 1 . . . . 96 LEU CA . 11127 1 1144 . 1 1 96 96 LEU CB C 13 41.783 0.300 . 1 . . . . 96 LEU CB . 11127 1 1145 . 1 1 96 96 LEU CD1 C 13 24.217 0.300 . 2 . . . . 96 LEU CD1 . 11127 1 1146 . 1 1 96 96 LEU CD2 C 13 21.037 0.300 . 2 . . . . 96 LEU CD2 . 11127 1 1147 . 1 1 96 96 LEU CG C 13 28.193 0.300 . 1 . . . . 96 LEU CG . 11127 1 1148 . 1 1 96 96 LEU N N 15 122.784 0.300 . 1 . . . . 96 LEU N . 11127 1 1149 . 1 1 97 97 ASN H H 1 8.670 0.030 . 1 . . . . 97 ASN H . 11127 1 1150 . 1 1 97 97 ASN HA H 1 4.513 0.030 . 1 . . . . 97 ASN HA . 11127 1 1151 . 1 1 97 97 ASN HB2 H 1 3.113 0.030 . 2 . . . . 97 ASN HB2 . 11127 1 1152 . 1 1 97 97 ASN HB3 H 1 2.501 0.030 . 2 . . . . 97 ASN HB3 . 11127 1 1153 . 1 1 97 97 ASN HD21 H 1 7.798 0.030 . 2 . . . . 97 ASN HD21 . 11127 1 1154 . 1 1 97 97 ASN HD22 H 1 7.943 0.030 . 2 . . . . 97 ASN HD22 . 11127 1 1155 . 1 1 97 97 ASN C C 13 174.165 0.300 . 1 . . . . 97 ASN C . 11127 1 1156 . 1 1 97 97 ASN CA C 13 49.457 0.300 . 1 . . . . 97 ASN CA . 11127 1 1157 . 1 1 97 97 ASN CB C 13 39.675 0.300 . 1 . . . . 97 ASN CB . 11127 1 1158 . 1 1 97 97 ASN N N 15 120.163 0.300 . 1 . . . . 97 ASN N . 11127 1 1159 . 1 1 97 97 ASN ND2 N 15 114.098 0.300 . 1 . . . . 97 ASN ND2 . 11127 1 1160 . 1 1 98 98 MET H H 1 8.570 0.030 . 1 . . . . 98 MET H . 11127 1 1161 . 1 1 98 98 MET HA H 1 3.864 0.030 . 1 . . . . 98 MET HA . 11127 1 1162 . 1 1 98 98 MET HB2 H 1 1.746 0.030 . 2 . . . . 98 MET HB2 . 11127 1 1163 . 1 1 98 98 MET HB3 H 1 1.391 0.030 . 2 . . . . 98 MET HB3 . 11127 1 1164 . 1 1 98 98 MET HE1 H 1 1.539 0.030 . 1 . . . . 98 MET HE . 11127 1 1165 . 1 1 98 98 MET HE2 H 1 1.539 0.030 . 1 . . . . 98 MET HE . 11127 1 1166 . 1 1 98 98 MET HE3 H 1 1.539 0.030 . 1 . . . . 98 MET HE . 11127 1 1167 . 1 1 98 98 MET HG2 H 1 1.968 0.030 . 2 . . . . 98 MET HG2 . 11127 1 1168 . 1 1 98 98 MET HG3 H 1 1.840 0.030 . 2 . . . . 98 MET HG3 . 11127 1 1169 . 1 1 98 98 MET C C 13 174.136 0.300 . 1 . . . . 98 MET C . 11127 1 1170 . 1 1 98 98 MET CA C 13 56.120 0.300 . 1 . . . . 98 MET CA . 11127 1 1171 . 1 1 98 98 MET CB C 13 30.133 0.300 . 1 . . . . 98 MET CB . 11127 1 1172 . 1 1 98 98 MET CE C 13 14.337 0.300 . 1 . . . . 98 MET CE . 11127 1 1173 . 1 1 98 98 MET CG C 13 28.457 0.300 . 1 . . . . 98 MET CG . 11127 1 1174 . 1 1 98 98 MET N N 15 115.174 0.300 . 1 . . . . 98 MET N . 11127 1 1175 . 1 1 99 99 LEU H H 1 7.718 0.030 . 1 . . . . 99 LEU H . 11127 1 1176 . 1 1 99 99 LEU HA H 1 4.119 0.030 . 1 . . . . 99 LEU HA . 11127 1 1177 . 1 1 99 99 LEU HB2 H 1 1.286 0.030 . 2 . . . . 99 LEU HB2 . 11127 1 1178 . 1 1 99 99 LEU HB3 H 1 1.476 0.030 . 2 . . . . 99 LEU HB3 . 11127 1 1179 . 1 1 99 99 LEU HD11 H 1 0.628 0.030 . 1 . . . . 99 LEU HD1 . 11127 1 1180 . 1 1 99 99 LEU HD12 H 1 0.628 0.030 . 1 . . . . 99 LEU HD1 . 11127 1 1181 . 1 1 99 99 LEU HD13 H 1 0.628 0.030 . 1 . . . . 99 LEU HD1 . 11127 1 1182 . 1 1 99 99 LEU HD21 H 1 0.525 0.030 . 1 . . . . 99 LEU HD2 . 11127 1 1183 . 1 1 99 99 LEU HD22 H 1 0.525 0.030 . 1 . . . . 99 LEU HD2 . 11127 1 1184 . 1 1 99 99 LEU HD23 H 1 0.525 0.030 . 1 . . . . 99 LEU HD2 . 11127 1 1185 . 1 1 99 99 LEU HG H 1 1.093 0.030 . 1 . . . . 99 LEU HG . 11127 1 1186 . 1 1 99 99 LEU C C 13 174.802 0.300 . 1 . . . . 99 LEU C . 11127 1 1187 . 1 1 99 99 LEU CA C 13 52.626 0.300 . 1 . . . . 99 LEU CA . 11127 1 1188 . 1 1 99 99 LEU CB C 13 39.180 0.300 . 1 . . . . 99 LEU CB . 11127 1 1189 . 1 1 99 99 LEU CD1 C 13 23.043 0.300 . 2 . . . . 99 LEU CD1 . 11127 1 1190 . 1 1 99 99 LEU CD2 C 13 20.036 0.300 . 2 . . . . 99 LEU CD2 . 11127 1 1191 . 1 1 99 99 LEU CG C 13 24.725 0.300 . 1 . . . . 99 LEU CG . 11127 1 1192 . 1 1 99 99 LEU N N 15 117.068 0.300 . 1 . . . . 99 LEU N . 11127 1 1193 . 1 1 100 100 GLY H H 1 7.717 0.030 . 1 . . . . 100 GLY H . 11127 1 1194 . 1 1 100 100 GLY HA2 H 1 3.691 0.030 . 2 . . . . 100 GLY HA2 . 11127 1 1195 . 1 1 100 100 GLY HA3 H 1 4.387 0.030 . 2 . . . . 100 GLY HA3 . 11127 1 1196 . 1 1 100 100 GLY C C 13 168.945 0.300 . 1 . . . . 100 GLY C . 11127 1 1197 . 1 1 100 100 GLY CA C 13 42.300 0.300 . 1 . . . . 100 GLY CA . 11127 1 1198 . 1 1 100 100 GLY N N 15 106.807 0.300 . 1 . . . . 100 GLY N . 11127 1 1199 . 1 1 101 101 GLU H H 1 8.357 0.030 . 1 . . . . 101 GLU H . 11127 1 1200 . 1 1 101 101 GLU HA H 1 4.603 0.030 . 1 . . . . 101 GLU HA . 11127 1 1201 . 1 1 101 101 GLU HB2 H 1 1.857 0.030 . 2 . . . . 101 GLU HB2 . 11127 1 1202 . 1 1 101 101 GLU HB3 H 1 1.711 0.030 . 2 . . . . 101 GLU HB3 . 11127 1 1203 . 1 1 101 101 GLU HG2 H 1 2.184 0.030 . 2 . . . . 101 GLU HG2 . 11127 1 1204 . 1 1 101 101 GLU HG3 H 1 1.986 0.030 . 2 . . . . 101 GLU HG3 . 11127 1 1205 . 1 1 101 101 GLU C C 13 173.861 0.300 . 1 . . . . 101 GLU C . 11127 1 1206 . 1 1 101 101 GLU CA C 13 52.524 0.300 . 1 . . . . 101 GLU CA . 11127 1 1207 . 1 1 101 101 GLU CB C 13 29.938 0.300 . 1 . . . . 101 GLU CB . 11127 1 1208 . 1 1 101 101 GLU CG C 13 33.687 0.300 . 1 . . . . 101 GLU CG . 11127 1 1209 . 1 1 101 101 GLU N N 15 118.734 0.300 . 1 . . . . 101 GLU N . 11127 1 1210 . 1 1 102 102 SER H H 1 9.059 0.030 . 1 . . . . 102 SER H . 11127 1 1211 . 1 1 102 102 SER HA H 1 4.163 0.030 . 1 . . . . 102 SER HA . 11127 1 1212 . 1 1 102 102 SER HB2 H 1 3.628 0.030 . 2 . . . . 102 SER HB2 . 11127 1 1213 . 1 1 102 102 SER HB3 H 1 3.955 0.030 . 2 . . . . 102 SER HB3 . 11127 1 1214 . 1 1 102 102 SER C C 13 172.919 0.300 . 1 . . . . 102 SER C . 11127 1 1215 . 1 1 102 102 SER CA C 13 55.767 0.300 . 1 . . . . 102 SER CA . 11127 1 1216 . 1 1 102 102 SER CB C 13 64.962 0.300 . 1 . . . . 102 SER CB . 11127 1 1217 . 1 1 102 102 SER N N 15 118.523 0.300 . 1 . . . . 102 SER N . 11127 1 1218 . 1 1 103 103 GLU H H 1 8.572 0.030 . 1 . . . . 103 GLU H . 11127 1 1219 . 1 1 103 103 GLU HA H 1 4.234 0.030 . 1 . . . . 103 GLU HA . 11127 1 1220 . 1 1 103 103 GLU HB2 H 1 1.680 0.030 . 2 . . . . 103 GLU HB2 . 11127 1 1221 . 1 1 103 103 GLU HB3 H 1 2.005 0.030 . 2 . . . . 103 GLU HB3 . 11127 1 1222 . 1 1 103 103 GLU HG2 H 1 2.264 0.030 . 2 . . . . 103 GLU HG2 . 11127 1 1223 . 1 1 103 103 GLU HG3 H 1 2.332 0.030 . 2 . . . . 103 GLU HG3 . 11127 1 1224 . 1 1 103 103 GLU C C 13 172.326 0.300 . 1 . . . . 103 GLU C . 11127 1 1225 . 1 1 103 103 GLU CA C 13 53.370 0.300 . 1 . . . . 103 GLU CA . 11127 1 1226 . 1 1 103 103 GLU CB C 13 26.265 0.300 . 1 . . . . 103 GLU CB . 11127 1 1227 . 1 1 103 103 GLU CG C 13 33.943 0.300 . 1 . . . . 103 GLU CG . 11127 1 1228 . 1 1 103 103 GLU N N 15 119.690 0.300 . 1 . . . . 103 GLU N . 11127 1 1229 . 1 1 104 104 PRO HA H 1 4.219 0.030 . 1 . . . . 104 PRO HA . 11127 1 1230 . 1 1 104 104 PRO HB2 H 1 1.293 0.030 . 2 . . . . 104 PRO HB2 . 11127 1 1231 . 1 1 104 104 PRO HB3 H 1 1.533 0.030 . 2 . . . . 104 PRO HB3 . 11127 1 1232 . 1 1 104 104 PRO HD2 H 1 3.441 0.030 . 2 . . . . 104 PRO HD2 . 11127 1 1233 . 1 1 104 104 PRO HD3 H 1 3.524 0.030 . 2 . . . . 104 PRO HD3 . 11127 1 1234 . 1 1 104 104 PRO HG2 H 1 1.738 0.030 . 2 . . . . 104 PRO HG2 . 11127 1 1235 . 1 1 104 104 PRO HG3 H 1 1.400 0.030 . 2 . . . . 104 PRO HG3 . 11127 1 1236 . 1 1 104 104 PRO C C 13 174.388 0.300 . 1 . . . . 104 PRO C . 11127 1 1237 . 1 1 104 104 PRO CA C 13 59.892 0.300 . 1 . . . . 104 PRO CA . 11127 1 1238 . 1 1 104 104 PRO CB C 13 27.748 0.300 . 1 . . . . 104 PRO CB . 11127 1 1239 . 1 1 104 104 PRO CD C 13 46.802 0.300 . 1 . . . . 104 PRO CD . 11127 1 1240 . 1 1 104 104 PRO CG C 13 24.205 0.300 . 1 . . . . 104 PRO CG . 11127 1 1241 . 1 1 105 105 SER H H 1 8.477 0.030 . 1 . . . . 105 SER H . 11127 1 1242 . 1 1 105 105 SER HA H 1 4.107 0.030 . 1 . . . . 105 SER HA . 11127 1 1243 . 1 1 105 105 SER HB2 H 1 3.464 0.030 . 2 . . . . 105 SER HB2 . 11127 1 1244 . 1 1 105 105 SER HB3 H 1 3.969 0.030 . 2 . . . . 105 SER HB3 . 11127 1 1245 . 1 1 105 105 SER C C 13 171.357 0.300 . 1 . . . . 105 SER C . 11127 1 1246 . 1 1 105 105 SER CA C 13 55.838 0.300 . 1 . . . . 105 SER CA . 11127 1 1247 . 1 1 105 105 SER CB C 13 64.829 0.300 . 1 . . . . 105 SER CB . 11127 1 1248 . 1 1 105 105 SER N N 15 114.116 0.300 . 1 . . . . 105 SER N . 11127 1 1249 . 1 1 106 106 ALA H H 1 8.710 0.030 . 1 . . . . 106 ALA H . 11127 1 1250 . 1 1 106 106 ALA HA H 1 4.391 0.030 . 1 . . . . 106 ALA HA . 11127 1 1251 . 1 1 106 106 ALA HB1 H 1 1.311 0.030 . 1 . . . . 106 ALA HB . 11127 1 1252 . 1 1 106 106 ALA HB2 H 1 1.311 0.030 . 1 . . . . 106 ALA HB . 11127 1 1253 . 1 1 106 106 ALA HB3 H 1 1.311 0.030 . 1 . . . . 106 ALA HB . 11127 1 1254 . 1 1 106 106 ALA C C 13 174.074 0.300 . 1 . . . . 106 ALA C . 11127 1 1255 . 1 1 106 106 ALA CA C 13 48.752 0.300 . 1 . . . . 106 ALA CA . 11127 1 1256 . 1 1 106 106 ALA CB C 13 14.746 0.300 . 1 . . . . 106 ALA CB . 11127 1 1257 . 1 1 106 106 ALA N N 15 123.513 0.300 . 1 . . . . 106 ALA N . 11127 1 1258 . 1 1 107 107 PRO HA H 1 4.768 0.030 . 1 . . . . 107 PRO HA . 11127 1 1259 . 1 1 107 107 PRO HB2 H 1 2.265 0.030 . 2 . . . . 107 PRO HB2 . 11127 1 1260 . 1 1 107 107 PRO HB3 H 1 2.189 0.030 . 2 . . . . 107 PRO HB3 . 11127 1 1261 . 1 1 107 107 PRO HD2 H 1 3.833 0.030 . 2 . . . . 107 PRO HD2 . 11127 1 1262 . 1 1 107 107 PRO HD3 H 1 3.636 0.030 . 2 . . . . 107 PRO HD3 . 11127 1 1263 . 1 1 107 107 PRO HG2 H 1 2.247 0.030 . 2 . . . . 107 PRO HG2 . 11127 1 1264 . 1 1 107 107 PRO HG3 H 1 2.083 0.030 . 2 . . . . 107 PRO HG3 . 11127 1 1265 . 1 1 107 107 PRO C C 13 175.109 0.300 . 1 . . . . 107 PRO C . 11127 1 1266 . 1 1 107 107 PRO CA C 13 59.433 0.300 . 1 . . . . 107 PRO CA . 11127 1 1267 . 1 1 107 107 PRO CB C 13 30.714 0.300 . 1 . . . . 107 PRO CB . 11127 1 1268 . 1 1 107 107 PRO CD C 13 47.658 0.300 . 1 . . . . 107 PRO CD . 11127 1 1269 . 1 1 107 107 PRO CG C 13 25.358 0.300 . 1 . . . . 107 PRO CG . 11127 1 1270 . 1 1 108 108 SER H H 1 9.521 0.030 . 1 . . . . 108 SER H . 11127 1 1271 . 1 1 108 108 SER HA H 1 4.260 0.030 . 1 . . . . 108 SER HA . 11127 1 1272 . 1 1 108 108 SER HB2 H 1 4.001 0.030 . 2 . . . . 108 SER HB2 . 11127 1 1273 . 1 1 108 108 SER HB3 H 1 4.498 0.030 . 2 . . . . 108 SER HB3 . 11127 1 1274 . 1 1 108 108 SER C C 13 172.039 0.300 . 1 . . . . 108 SER C . 11127 1 1275 . 1 1 108 108 SER CA C 13 56.225 0.300 . 1 . . . . 108 SER CA . 11127 1 1276 . 1 1 108 108 SER CB C 13 64.165 0.300 . 1 . . . . 108 SER CB . 11127 1 1277 . 1 1 108 108 SER N N 15 114.374 0.300 . 1 . . . . 108 SER N . 11127 1 1278 . 1 1 109 109 ARG H H 1 8.559 0.030 . 1 . . . . 109 ARG H . 11127 1 1279 . 1 1 109 109 ARG HA H 1 4.528 0.030 . 1 . . . . 109 ARG HA . 11127 1 1280 . 1 1 109 109 ARG HB2 H 1 1.795 0.030 . 2 . . . . 109 ARG HB2 . 11127 1 1281 . 1 1 109 109 ARG HB3 H 1 1.989 0.030 . 2 . . . . 109 ARG HB3 . 11127 1 1282 . 1 1 109 109 ARG HD2 H 1 3.262 0.030 . 1 . . . . 109 ARG HD2 . 11127 1 1283 . 1 1 109 109 ARG HD3 H 1 3.262 0.030 . 1 . . . . 109 ARG HD3 . 11127 1 1284 . 1 1 109 109 ARG HG2 H 1 1.798 0.030 . 1 . . . . 109 ARG HG2 . 11127 1 1285 . 1 1 109 109 ARG HG3 H 1 1.798 0.030 . 1 . . . . 109 ARG HG3 . 11127 1 1286 . 1 1 109 109 ARG C C 13 173.249 0.300 . 1 . . . . 109 ARG C . 11127 1 1287 . 1 1 109 109 ARG CA C 13 53.511 0.300 . 1 . . . . 109 ARG CA . 11127 1 1288 . 1 1 109 109 ARG CB C 13 26.429 0.300 . 1 . . . . 109 ARG CB . 11127 1 1289 . 1 1 109 109 ARG CD C 13 41.258 0.300 . 1 . . . . 109 ARG CD . 11127 1 1290 . 1 1 109 109 ARG CG C 13 25.164 0.300 . 1 . . . . 109 ARG CG . 11127 1 1291 . 1 1 109 109 ARG N N 15 118.996 0.300 . 1 . . . . 109 ARG N . 11127 1 1292 . 1 1 110 110 PRO HA H 1 4.583 0.030 . 1 . . . . 110 PRO HA . 11127 1 1293 . 1 1 110 110 PRO HB2 H 1 1.770 0.030 . 2 . . . . 110 PRO HB2 . 11127 1 1294 . 1 1 110 110 PRO HB3 H 1 1.905 0.030 . 2 . . . . 110 PRO HB3 . 11127 1 1295 . 1 1 110 110 PRO HD2 H 1 3.683 0.030 . 2 . . . . 110 PRO HD2 . 11127 1 1296 . 1 1 110 110 PRO HD3 H 1 3.821 0.030 . 2 . . . . 110 PRO HD3 . 11127 1 1297 . 1 1 110 110 PRO HG2 H 1 2.131 0.030 . 2 . . . . 110 PRO HG2 . 11127 1 1298 . 1 1 110 110 PRO HG3 H 1 1.851 0.030 . 2 . . . . 110 PRO HG3 . 11127 1 1299 . 1 1 110 110 PRO C C 13 173.290 0.300 . 1 . . . . 110 PRO C . 11127 1 1300 . 1 1 110 110 PRO CA C 13 60.913 0.300 . 1 . . . . 110 PRO CA . 11127 1 1301 . 1 1 110 110 PRO CB C 13 29.680 0.300 . 1 . . . . 110 PRO CB . 11127 1 1302 . 1 1 110 110 PRO CD C 13 47.809 0.300 . 1 . . . . 110 PRO CD . 11127 1 1303 . 1 1 110 110 PRO CG C 13 25.673 0.300 . 1 . . . . 110 PRO CG . 11127 1 1304 . 1 1 111 111 TYR H H 1 9.375 0.030 . 1 . . . . 111 TYR H . 11127 1 1305 . 1 1 111 111 TYR HA H 1 4.665 0.030 . 1 . . . . 111 TYR HA . 11127 1 1306 . 1 1 111 111 TYR HB2 H 1 2.946 0.030 . 1 . . . . 111 TYR HB2 . 11127 1 1307 . 1 1 111 111 TYR HB3 H 1 2.946 0.030 . 1 . . . . 111 TYR HB3 . 11127 1 1308 . 1 1 111 111 TYR HD1 H 1 6.832 0.030 . 1 . . . . 111 TYR HD1 . 11127 1 1309 . 1 1 111 111 TYR HD2 H 1 6.832 0.030 . 1 . . . . 111 TYR HD2 . 11127 1 1310 . 1 1 111 111 TYR HE1 H 1 6.520 0.030 . 1 . . . . 111 TYR HE1 . 11127 1 1311 . 1 1 111 111 TYR HE2 H 1 6.520 0.030 . 1 . . . . 111 TYR HE2 . 11127 1 1312 . 1 1 111 111 TYR C C 13 171.604 0.300 . 1 . . . . 111 TYR C . 11127 1 1313 . 1 1 111 111 TYR CA C 13 55.238 0.300 . 1 . . . . 111 TYR CA . 11127 1 1314 . 1 1 111 111 TYR CB C 13 39.941 0.300 . 1 . . . . 111 TYR CB . 11127 1 1315 . 1 1 111 111 TYR CD1 C 13 130.284 0.300 . 1 . . . . 111 TYR CD1 . 11127 1 1316 . 1 1 111 111 TYR CD2 C 13 130.284 0.300 . 1 . . . . 111 TYR CD2 . 11127 1 1317 . 1 1 111 111 TYR CE1 C 13 115.996 0.300 . 1 . . . . 111 TYR CE1 . 11127 1 1318 . 1 1 111 111 TYR CE2 C 13 115.996 0.300 . 1 . . . . 111 TYR CE2 . 11127 1 1319 . 1 1 111 111 TYR N N 15 125.071 0.300 . 1 . . . . 111 TYR N . 11127 1 1320 . 1 1 112 112 VAL H H 1 7.788 0.030 . 1 . . . . 112 VAL H . 11127 1 1321 . 1 1 112 112 VAL HA H 1 4.190 0.030 . 1 . . . . 112 VAL HA . 11127 1 1322 . 1 1 112 112 VAL HB H 1 1.633 0.030 . 1 . . . . 112 VAL HB . 11127 1 1323 . 1 1 112 112 VAL HG11 H 1 0.512 0.030 . 1 . . . . 112 VAL HG1 . 11127 1 1324 . 1 1 112 112 VAL HG12 H 1 0.512 0.030 . 1 . . . . 112 VAL HG1 . 11127 1 1325 . 1 1 112 112 VAL HG13 H 1 0.512 0.030 . 1 . . . . 112 VAL HG1 . 11127 1 1326 . 1 1 112 112 VAL HG21 H 1 0.677 0.030 . 1 . . . . 112 VAL HG2 . 11127 1 1327 . 1 1 112 112 VAL HG22 H 1 0.677 0.030 . 1 . . . . 112 VAL HG2 . 11127 1 1328 . 1 1 112 112 VAL HG23 H 1 0.677 0.030 . 1 . . . . 112 VAL HG2 . 11127 1 1329 . 1 1 112 112 VAL C C 13 172.480 0.300 . 1 . . . . 112 VAL C . 11127 1 1330 . 1 1 112 112 VAL CA C 13 58.658 0.300 . 1 . . . . 112 VAL CA . 11127 1 1331 . 1 1 112 112 VAL CB C 13 30.438 0.300 . 1 . . . . 112 VAL CB . 11127 1 1332 . 1 1 112 112 VAL CG1 C 13 17.955 0.300 . 2 . . . . 112 VAL CG1 . 11127 1 1333 . 1 1 112 112 VAL CG2 C 13 18.132 0.300 . 2 . . . . 112 VAL CG2 . 11127 1 1334 . 1 1 112 112 VAL N N 15 128.065 0.300 . 1 . . . . 112 VAL N . 11127 1 1335 . 1 1 113 113 VAL H H 1 8.120 0.030 . 1 . . . . 113 VAL H . 11127 1 1336 . 1 1 113 113 VAL HA H 1 3.813 0.030 . 1 . . . . 113 VAL HA . 11127 1 1337 . 1 1 113 113 VAL HB H 1 2.521 0.030 . 1 . . . . 113 VAL HB . 11127 1 1338 . 1 1 113 113 VAL HG11 H 1 0.927 0.030 . 1 . . . . 113 VAL HG1 . 11127 1 1339 . 1 1 113 113 VAL HG12 H 1 0.927 0.030 . 1 . . . . 113 VAL HG1 . 11127 1 1340 . 1 1 113 113 VAL HG13 H 1 0.927 0.030 . 1 . . . . 113 VAL HG1 . 11127 1 1341 . 1 1 113 113 VAL HG21 H 1 1.149 0.030 . 1 . . . . 113 VAL HG2 . 11127 1 1342 . 1 1 113 113 VAL HG22 H 1 1.149 0.030 . 1 . . . . 113 VAL HG2 . 11127 1 1343 . 1 1 113 113 VAL HG23 H 1 1.149 0.030 . 1 . . . . 113 VAL HG2 . 11127 1 1344 . 1 1 113 113 VAL C C 13 174.342 0.300 . 1 . . . . 113 VAL C . 11127 1 1345 . 1 1 113 113 VAL CA C 13 60.363 0.300 . 1 . . . . 113 VAL CA . 11127 1 1346 . 1 1 113 113 VAL CB C 13 28.666 0.300 . 1 . . . . 113 VAL CB . 11127 1 1347 . 1 1 113 113 VAL CG1 C 13 19.945 0.300 . 2 . . . . 113 VAL CG1 . 11127 1 1348 . 1 1 113 113 VAL CG2 C 13 20.804 0.300 . 2 . . . . 113 VAL CG2 . 11127 1 1349 . 1 1 113 113 VAL N N 15 128.415 0.300 . 1 . . . . 113 VAL N . 11127 1 1350 . 1 1 114 114 SER H H 1 8.466 0.030 . 1 . . . . 114 SER H . 11127 1 1351 . 1 1 114 114 SER HA H 1 4.207 0.030 . 1 . . . . 114 SER HA . 11127 1 1352 . 1 1 114 114 SER HB2 H 1 3.829 0.030 . 1 . . . . 114 SER HB2 . 11127 1 1353 . 1 1 114 114 SER HB3 H 1 3.829 0.030 . 1 . . . . 114 SER HB3 . 11127 1 1354 . 1 1 114 114 SER C C 13 172.700 0.300 . 1 . . . . 114 SER C . 11127 1 1355 . 1 1 114 114 SER CA C 13 57.071 0.300 . 1 . . . . 114 SER CA . 11127 1 1356 . 1 1 114 114 SER CB C 13 61.572 0.300 . 1 . . . . 114 SER CB . 11127 1 1357 . 1 1 114 114 SER N N 15 123.480 0.300 . 1 . . . . 114 SER N . 11127 1 1358 . 1 1 115 115 GLY H H 1 8.367 0.030 . 1 . . . . 115 GLY H . 11127 1 1359 . 1 1 115 115 GLY HA2 H 1 3.931 0.030 . 1 . . . . 115 GLY HA2 . 11127 1 1360 . 1 1 115 115 GLY HA3 H 1 3.931 0.030 . 1 . . . . 115 GLY HA3 . 11127 1 1361 . 1 1 115 115 GLY C C 13 171.417 0.300 . 1 . . . . 115 GLY C . 11127 1 1362 . 1 1 115 115 GLY CA C 13 42.693 0.300 . 1 . . . . 115 GLY CA . 11127 1 1363 . 1 1 115 115 GLY N N 15 109.344 0.300 . 1 . . . . 115 GLY N . 11127 1 1364 . 1 1 116 116 SER H H 1 8.243 0.030 . 1 . . . . 116 SER H . 11127 1 1365 . 1 1 116 116 SER HA H 1 4.414 0.030 . 1 . . . . 116 SER HA . 11127 1 1366 . 1 1 116 116 SER HB2 H 1 3.744 0.030 . 1 . . . . 116 SER HB2 . 11127 1 1367 . 1 1 116 116 SER HB3 H 1 3.744 0.030 . 1 . . . . 116 SER HB3 . 11127 1 1368 . 1 1 116 116 SER C C 13 172.107 0.300 . 1 . . . . 116 SER C . 11127 1 1369 . 1 1 116 116 SER CA C 13 55.767 0.300 . 1 . . . . 116 SER CA . 11127 1 1370 . 1 1 116 116 SER CB C 13 61.775 0.300 . 1 . . . . 116 SER CB . 11127 1 1371 . 1 1 116 116 SER N N 15 114.736 0.300 . 1 . . . . 116 SER N . 11127 1 1372 . 1 1 117 117 GLY H H 1 8.293 0.030 . 1 . . . . 117 GLY H . 11127 1 1373 . 1 1 117 117 GLY HA2 H 1 3.966 0.030 . 2 . . . . 117 GLY HA2 . 11127 1 1374 . 1 1 117 117 GLY HA3 H 1 4.036 0.030 . 2 . . . . 117 GLY HA3 . 11127 1 1375 . 1 1 117 117 GLY C C 13 169.389 0.300 . 1 . . . . 117 GLY C . 11127 1 1376 . 1 1 117 117 GLY CA C 13 42.218 0.300 . 1 . . . . 117 GLY CA . 11127 1 1377 . 1 1 117 117 GLY N N 15 110.229 0.300 . 1 . . . . 117 GLY N . 11127 1 1378 . 1 1 118 118 PRO HA H 1 4.365 0.030 . 1 . . . . 118 PRO HA . 11127 1 1379 . 1 1 118 118 PRO HB2 H 1 2.190 0.030 . 2 . . . . 118 PRO HB2 . 11127 1 1380 . 1 1 118 118 PRO HB3 H 1 1.888 0.030 . 2 . . . . 118 PRO HB3 . 11127 1 1381 . 1 1 118 118 PRO HD2 H 1 3.455 0.030 . 2 . . . . 118 PRO HD2 . 11127 1 1382 . 1 1 118 118 PRO HD3 H 1 3.543 0.030 . 2 . . . . 118 PRO HD3 . 11127 1 1383 . 1 1 118 118 PRO HG2 H 1 1.916 0.030 . 1 . . . . 118 PRO HG2 . 11127 1 1384 . 1 1 118 118 PRO HG3 H 1 1.916 0.030 . 1 . . . . 118 PRO HG3 . 11127 1 1385 . 1 1 118 118 PRO CA C 13 61.000 0.300 . 1 . . . . 118 PRO CA . 11127 1 1386 . 1 1 118 118 PRO CB C 13 29.883 0.300 . 1 . . . . 118 PRO CB . 11127 1 1387 . 1 1 118 118 PRO CD C 13 47.424 0.300 . 1 . . . . 118 PRO CD . 11127 1 1388 . 1 1 118 118 PRO CG C 13 25.000 0.300 . 1 . . . . 118 PRO CG . 11127 1 1389 . 1 1 120 120 SER HA H 1 4.388 0.030 . 1 . . . . 120 SER HA . 11127 1 1390 . 1 1 120 120 SER HB2 H 1 3.781 0.030 . 1 . . . . 120 SER HB2 . 11127 1 1391 . 1 1 120 120 SER HB3 H 1 3.781 0.030 . 1 . . . . 120 SER HB3 . 11127 1 1392 . 1 1 120 120 SER C C 13 171.585 0.300 . 1 . . . . 120 SER C . 11127 1 1393 . 1 1 120 120 SER CA C 13 56.014 0.300 . 1 . . . . 120 SER CA . 11127 1 1394 . 1 1 120 120 SER CB C 13 61.857 0.300 . 1 . . . . 120 SER CB . 11127 1 1395 . 1 1 121 121 GLY H H 1 7.962 0.030 . 1 . . . . 121 GLY H . 11127 1 1396 . 1 1 121 121 GLY HA2 H 1 3.652 0.030 . 2 . . . . 121 GLY HA2 . 11127 1 1397 . 1 1 121 121 GLY HA3 H 1 3.701 0.030 . 2 . . . . 121 GLY HA3 . 11127 1 1398 . 1 1 121 121 GLY C C 13 176.648 0.300 . 1 . . . . 121 GLY C . 11127 1 1399 . 1 1 121 121 GLY CA C 13 43.859 0.300 . 1 . . . . 121 GLY CA . 11127 1 1400 . 1 1 121 121 GLY N N 15 116.481 0.300 . 1 . . . . 121 GLY N . 11127 1 stop_ save_