data_11121 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11121 _Entry.Title ; The solution structure of the second fibronectin type III domain of human Neogenin ; _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 N. Tochio . . . 11121 2 S. Koshiba . . . 11121 3 M. Inoue . . . 11121 4 T. Kigawa . . . 11121 5 S. Yokoyama . . . 11121 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)' . 11121 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11121 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 463 11121 '15N chemical shifts' 108 11121 '1H chemical shifts' 706 11121 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 . 11121 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X5G 'BMRB Entry Tracking System' 11121 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11121 _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 ; The solution structure of the second fibronectin type III domain of human Neogenin ; _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 N. Tochio . . . 11121 1 2 S. Koshiba . . . 11121 1 3 M. Inoue . . . 11121 1 4 T. Kigawa . . . 11121 1 5 S. Yokoyama . . . 11121 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11121 _Assembly.ID 1 _Assembly.Name Neogenin _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 'fn3 domain' 1 $entity_1 A . yes native no no . . . 11121 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 1x5g . . . . . . 11121 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11121 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name '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 ; GSSGSSGRVETQPEVQLPGP APNLRAYAASPTSITVTWET PVSGNGEIQNYKLYYMEKGT DKEQDVDVSSHSYTINGLKK YTEYSFRVVAYNKHGPGVST PDVAVRTLSDSGPSSG ; _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 116 _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1X5G . "The Solution Structure Of The Second Fibronectin Type Iii Domain Of Human Neogenin" . . . . . 100.00 116 100.00 100.00 1.04e-76 . . . . 11121 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'fn3 domain' . 11121 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 . 11121 1 2 . SER . 11121 1 3 . SER . 11121 1 4 . GLY . 11121 1 5 . SER . 11121 1 6 . SER . 11121 1 7 . GLY . 11121 1 8 . ARG . 11121 1 9 . VAL . 11121 1 10 . GLU . 11121 1 11 . THR . 11121 1 12 . GLN . 11121 1 13 . PRO . 11121 1 14 . GLU . 11121 1 15 . VAL . 11121 1 16 . GLN . 11121 1 17 . LEU . 11121 1 18 . PRO . 11121 1 19 . GLY . 11121 1 20 . PRO . 11121 1 21 . ALA . 11121 1 22 . PRO . 11121 1 23 . ASN . 11121 1 24 . LEU . 11121 1 25 . ARG . 11121 1 26 . ALA . 11121 1 27 . TYR . 11121 1 28 . ALA . 11121 1 29 . ALA . 11121 1 30 . SER . 11121 1 31 . PRO . 11121 1 32 . THR . 11121 1 33 . SER . 11121 1 34 . ILE . 11121 1 35 . THR . 11121 1 36 . VAL . 11121 1 37 . THR . 11121 1 38 . TRP . 11121 1 39 . GLU . 11121 1 40 . THR . 11121 1 41 . PRO . 11121 1 42 . VAL . 11121 1 43 . SER . 11121 1 44 . GLY . 11121 1 45 . ASN . 11121 1 46 . GLY . 11121 1 47 . GLU . 11121 1 48 . ILE . 11121 1 49 . GLN . 11121 1 50 . ASN . 11121 1 51 . TYR . 11121 1 52 . LYS . 11121 1 53 . LEU . 11121 1 54 . TYR . 11121 1 55 . TYR . 11121 1 56 . MET . 11121 1 57 . GLU . 11121 1 58 . LYS . 11121 1 59 . GLY . 11121 1 60 . THR . 11121 1 61 . ASP . 11121 1 62 . LYS . 11121 1 63 . GLU . 11121 1 64 . GLN . 11121 1 65 . ASP . 11121 1 66 . VAL . 11121 1 67 . ASP . 11121 1 68 . VAL . 11121 1 69 . SER . 11121 1 70 . SER . 11121 1 71 . HIS . 11121 1 72 . SER . 11121 1 73 . TYR . 11121 1 74 . THR . 11121 1 75 . ILE . 11121 1 76 . ASN . 11121 1 77 . GLY . 11121 1 78 . LEU . 11121 1 79 . LYS . 11121 1 80 . LYS . 11121 1 81 . TYR . 11121 1 82 . THR . 11121 1 83 . GLU . 11121 1 84 . TYR . 11121 1 85 . SER . 11121 1 86 . PHE . 11121 1 87 . ARG . 11121 1 88 . VAL . 11121 1 89 . VAL . 11121 1 90 . ALA . 11121 1 91 . TYR . 11121 1 92 . ASN . 11121 1 93 . LYS . 11121 1 94 . HIS . 11121 1 95 . GLY . 11121 1 96 . PRO . 11121 1 97 . GLY . 11121 1 98 . VAL . 11121 1 99 . SER . 11121 1 100 . THR . 11121 1 101 . PRO . 11121 1 102 . ASP . 11121 1 103 . VAL . 11121 1 104 . ALA . 11121 1 105 . VAL . 11121 1 106 . ARG . 11121 1 107 . THR . 11121 1 108 . LEU . 11121 1 109 . SER . 11121 1 110 . ASP . 11121 1 111 . SER . 11121 1 112 . GLY . 11121 1 113 . PRO . 11121 1 114 . SER . 11121 1 115 . SER . 11121 1 116 . GLY . 11121 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 11121 1 . SER 2 2 11121 1 . SER 3 3 11121 1 . GLY 4 4 11121 1 . SER 5 5 11121 1 . SER 6 6 11121 1 . GLY 7 7 11121 1 . ARG 8 8 11121 1 . VAL 9 9 11121 1 . GLU 10 10 11121 1 . THR 11 11 11121 1 . GLN 12 12 11121 1 . PRO 13 13 11121 1 . GLU 14 14 11121 1 . VAL 15 15 11121 1 . GLN 16 16 11121 1 . LEU 17 17 11121 1 . PRO 18 18 11121 1 . GLY 19 19 11121 1 . PRO 20 20 11121 1 . ALA 21 21 11121 1 . PRO 22 22 11121 1 . ASN 23 23 11121 1 . LEU 24 24 11121 1 . ARG 25 25 11121 1 . ALA 26 26 11121 1 . TYR 27 27 11121 1 . ALA 28 28 11121 1 . ALA 29 29 11121 1 . SER 30 30 11121 1 . PRO 31 31 11121 1 . THR 32 32 11121 1 . SER 33 33 11121 1 . ILE 34 34 11121 1 . THR 35 35 11121 1 . VAL 36 36 11121 1 . THR 37 37 11121 1 . TRP 38 38 11121 1 . GLU 39 39 11121 1 . THR 40 40 11121 1 . PRO 41 41 11121 1 . VAL 42 42 11121 1 . SER 43 43 11121 1 . GLY 44 44 11121 1 . ASN 45 45 11121 1 . GLY 46 46 11121 1 . GLU 47 47 11121 1 . ILE 48 48 11121 1 . GLN 49 49 11121 1 . ASN 50 50 11121 1 . TYR 51 51 11121 1 . LYS 52 52 11121 1 . LEU 53 53 11121 1 . TYR 54 54 11121 1 . TYR 55 55 11121 1 . MET 56 56 11121 1 . GLU 57 57 11121 1 . LYS 58 58 11121 1 . GLY 59 59 11121 1 . THR 60 60 11121 1 . ASP 61 61 11121 1 . LYS 62 62 11121 1 . GLU 63 63 11121 1 . GLN 64 64 11121 1 . ASP 65 65 11121 1 . VAL 66 66 11121 1 . ASP 67 67 11121 1 . VAL 68 68 11121 1 . SER 69 69 11121 1 . SER 70 70 11121 1 . HIS 71 71 11121 1 . SER 72 72 11121 1 . TYR 73 73 11121 1 . THR 74 74 11121 1 . ILE 75 75 11121 1 . ASN 76 76 11121 1 . GLY 77 77 11121 1 . LEU 78 78 11121 1 . LYS 79 79 11121 1 . LYS 80 80 11121 1 . TYR 81 81 11121 1 . THR 82 82 11121 1 . GLU 83 83 11121 1 . TYR 84 84 11121 1 . SER 85 85 11121 1 . PHE 86 86 11121 1 . ARG 87 87 11121 1 . VAL 88 88 11121 1 . VAL 89 89 11121 1 . ALA 90 90 11121 1 . TYR 91 91 11121 1 . ASN 92 92 11121 1 . LYS 93 93 11121 1 . HIS 94 94 11121 1 . GLY 95 95 11121 1 . PRO 96 96 11121 1 . GLY 97 97 11121 1 . VAL 98 98 11121 1 . SER 99 99 11121 1 . THR 100 100 11121 1 . PRO 101 101 11121 1 . ASP 102 102 11121 1 . VAL 103 103 11121 1 . ALA 104 104 11121 1 . VAL 105 105 11121 1 . ARG 106 106 11121 1 . THR 107 107 11121 1 . LEU 108 108 11121 1 . SER 109 109 11121 1 . ASP 110 110 11121 1 . SER 111 111 11121 1 . GLY 112 112 11121 1 . PRO 113 113 11121 1 . SER 114 114 11121 1 . SER 115 115 11121 1 . GLY 116 116 11121 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 11121 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11121 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 11121 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P041213-03 . . . . . . 11121 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11121 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.9mM 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 1.9 . . mM . . . . 11121 1 2 'd-Tris HCl' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11121 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11121 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11121 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11121 1 6 H2O . . . . . . solvent 90 . . % . . . . 11121 1 7 D2O . . . . . . solvent 10 . . % . . . . 11121 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 11121 _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 11121 1 pH 7.0 0.05 pH 11121 1 pressure 1 0.001 atm 11121 1 temperature 298 0.1 K 11121 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11121 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11121 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11121 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11121 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11121 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11121 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11121 _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.' . . 11121 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11121 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11121 _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.' . . 11121 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11121 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11121 _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.' . . 11121 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11121 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 11121 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11121 _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 . 900 . . . 11121 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 11121 _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 . . . . . . . . . . . . . . . . 11121 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11121 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 11121 _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 . . . . . . . . . 11121 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11121 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11121 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 11121 _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 11121 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11121 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 . . 11121 1 2 $NMRPipe . . 11121 1 3 $NMRView . . 11121 1 4 $KUJIRA . . 11121 1 5 $CYANA . . 11121 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 3.980 0.030 . 2 . . . . 7 GLY HA2 . 11121 1 2 . 1 1 7 7 GLY C C 13 173.816 0.300 . 1 . . . . 7 GLY C . 11121 1 3 . 1 1 7 7 GLY CA C 13 45.283 0.300 . 1 . . . . 7 GLY CA . 11121 1 4 . 1 1 8 8 ARG H H 1 8.108 0.030 . 1 . . . . 8 ARG H . 11121 1 5 . 1 1 8 8 ARG HA H 1 4.381 0.030 . 1 . . . . 8 ARG HA . 11121 1 6 . 1 1 8 8 ARG HB2 H 1 1.817 0.030 . 2 . . . . 8 ARG HB2 . 11121 1 7 . 1 1 8 8 ARG HB3 H 1 1.740 0.030 . 2 . . . . 8 ARG HB3 . 11121 1 8 . 1 1 8 8 ARG HD2 H 1 3.211 0.030 . 2 . . . . 8 ARG HD2 . 11121 1 9 . 1 1 8 8 ARG HG2 H 1 1.585 0.030 . 2 . . . . 8 ARG HG2 . 11121 1 10 . 1 1 8 8 ARG C C 13 176.212 0.300 . 1 . . . . 8 ARG C . 11121 1 11 . 1 1 8 8 ARG CA C 13 55.966 0.300 . 1 . . . . 8 ARG CA . 11121 1 12 . 1 1 8 8 ARG CB C 13 31.083 0.300 . 1 . . . . 8 ARG CB . 11121 1 13 . 1 1 8 8 ARG CD C 13 43.385 0.300 . 1 . . . . 8 ARG CD . 11121 1 14 . 1 1 8 8 ARG CG C 13 27.072 0.300 . 1 . . . . 8 ARG CG . 11121 1 15 . 1 1 8 8 ARG N N 15 120.875 0.300 . 1 . . . . 8 ARG N . 11121 1 16 . 1 1 9 9 VAL H H 1 8.314 0.030 . 1 . . . . 9 VAL H . 11121 1 17 . 1 1 9 9 VAL HA H 1 4.112 0.030 . 1 . . . . 9 VAL HA . 11121 1 18 . 1 1 9 9 VAL HB H 1 2.041 0.030 . 1 . . . . 9 VAL HB . 11121 1 19 . 1 1 9 9 VAL HG11 H 1 0.921 0.030 . 1 . . . . 9 VAL HG1 . 11121 1 20 . 1 1 9 9 VAL HG12 H 1 0.921 0.030 . 1 . . . . 9 VAL HG1 . 11121 1 21 . 1 1 9 9 VAL HG13 H 1 0.921 0.030 . 1 . . . . 9 VAL HG1 . 11121 1 22 . 1 1 9 9 VAL HG21 H 1 0.934 0.030 . 1 . . . . 9 VAL HG2 . 11121 1 23 . 1 1 9 9 VAL HG22 H 1 0.934 0.030 . 1 . . . . 9 VAL HG2 . 11121 1 24 . 1 1 9 9 VAL HG23 H 1 0.934 0.030 . 1 . . . . 9 VAL HG2 . 11121 1 25 . 1 1 9 9 VAL C C 13 176.202 0.300 . 1 . . . . 9 VAL C . 11121 1 26 . 1 1 9 9 VAL CA C 13 62.364 0.300 . 1 . . . . 9 VAL CA . 11121 1 27 . 1 1 9 9 VAL CB C 13 32.764 0.300 . 1 . . . . 9 VAL CB . 11121 1 28 . 1 1 9 9 VAL CG1 C 13 21.111 0.300 . 2 . . . . 9 VAL CG1 . 11121 1 29 . 1 1 9 9 VAL CG2 C 13 20.593 0.300 . 2 . . . . 9 VAL CG2 . 11121 1 30 . 1 1 9 9 VAL N N 15 122.678 0.300 . 1 . . . . 9 VAL N . 11121 1 31 . 1 1 10 10 GLU H H 1 8.631 0.030 . 1 . . . . 10 GLU H . 11121 1 32 . 1 1 10 10 GLU HA H 1 4.369 0.030 . 1 . . . . 10 GLU HA . 11121 1 33 . 1 1 10 10 GLU HB2 H 1 2.067 0.030 . 2 . . . . 10 GLU HB2 . 11121 1 34 . 1 1 10 10 GLU HB3 H 1 1.942 0.030 . 2 . . . . 10 GLU HB3 . 11121 1 35 . 1 1 10 10 GLU HG2 H 1 2.248 0.030 . 2 . . . . 10 GLU HG2 . 11121 1 36 . 1 1 10 10 GLU HG3 H 1 2.338 0.030 . 2 . . . . 10 GLU HG3 . 11121 1 37 . 1 1 10 10 GLU C C 13 176.485 0.300 . 1 . . . . 10 GLU C . 11121 1 38 . 1 1 10 10 GLU CA C 13 56.478 0.300 . 1 . . . . 10 GLU CA . 11121 1 39 . 1 1 10 10 GLU CB C 13 30.388 0.300 . 1 . . . . 10 GLU CB . 11121 1 40 . 1 1 10 10 GLU CG C 13 36.901 0.300 . 1 . . . . 10 GLU CG . 11121 1 41 . 1 1 10 10 GLU N N 15 125.410 0.300 . 1 . . . . 10 GLU N . 11121 1 42 . 1 1 11 11 THR H H 1 8.185 0.030 . 1 . . . . 11 THR H . 11121 1 43 . 1 1 11 11 THR HA H 1 4.301 0.030 . 1 . . . . 11 THR HA . 11121 1 44 . 1 1 11 11 THR HB H 1 4.157 0.030 . 1 . . . . 11 THR HB . 11121 1 45 . 1 1 11 11 THR HG21 H 1 1.181 0.030 . 1 . . . . 11 THR HG2 . 11121 1 46 . 1 1 11 11 THR HG22 H 1 1.181 0.030 . 1 . . . . 11 THR HG2 . 11121 1 47 . 1 1 11 11 THR HG23 H 1 1.181 0.030 . 1 . . . . 11 THR HG2 . 11121 1 48 . 1 1 11 11 THR C C 13 174.291 0.300 . 1 . . . . 11 THR C . 11121 1 49 . 1 1 11 11 THR CA C 13 61.782 0.300 . 1 . . . . 11 THR CA . 11121 1 50 . 1 1 11 11 THR CB C 13 69.862 0.300 . 1 . . . . 11 THR CB . 11121 1 51 . 1 1 11 11 THR CG2 C 13 21.782 0.300 . 1 . . . . 11 THR CG2 . 11121 1 52 . 1 1 11 11 THR N N 15 115.813 0.300 . 1 . . . . 11 THR N . 11121 1 53 . 1 1 12 12 GLN H H 1 8.457 0.030 . 1 . . . . 12 GLN H . 11121 1 54 . 1 1 12 12 GLN HA H 1 4.632 0.030 . 1 . . . . 12 GLN HA . 11121 1 55 . 1 1 12 12 GLN HB2 H 1 2.107 0.030 . 2 . . . . 12 GLN HB2 . 11121 1 56 . 1 1 12 12 GLN HB3 H 1 1.929 0.030 . 2 . . . . 12 GLN HB3 . 11121 1 57 . 1 1 12 12 GLN HE21 H 1 7.570 0.030 . 2 . . . . 12 GLN HE21 . 11121 1 58 . 1 1 12 12 GLN HE22 H 1 6.859 0.030 . 2 . . . . 12 GLN HE22 . 11121 1 59 . 1 1 12 12 GLN HG2 H 1 2.380 0.030 . 1 . . . . 12 GLN HG2 . 11121 1 60 . 1 1 12 12 GLN HG3 H 1 2.380 0.030 . 1 . . . . 12 GLN HG3 . 11121 1 61 . 1 1 12 12 GLN C C 13 173.937 0.300 . 1 . . . . 12 GLN C . 11121 1 62 . 1 1 12 12 GLN CA C 13 53.661 0.300 . 1 . . . . 12 GLN CA . 11121 1 63 . 1 1 12 12 GLN CB C 13 28.967 0.300 . 1 . . . . 12 GLN CB . 11121 1 64 . 1 1 12 12 GLN CG C 13 33.514 0.300 . 1 . . . . 12 GLN CG . 11121 1 65 . 1 1 12 12 GLN N N 15 123.943 0.300 . 1 . . . . 12 GLN N . 11121 1 66 . 1 1 12 12 GLN NE2 N 15 112.678 0.300 . 1 . . . . 12 GLN NE2 . 11121 1 67 . 1 1 13 13 PRO HA H 1 4.370 0.030 . 1 . . . . 13 PRO HA . 11121 1 68 . 1 1 13 13 PRO HB2 H 1 2.274 0.030 . 2 . . . . 13 PRO HB2 . 11121 1 69 . 1 1 13 13 PRO HB3 H 1 1.865 0.030 . 2 . . . . 13 PRO HB3 . 11121 1 70 . 1 1 13 13 PRO HD2 H 1 3.774 0.030 . 2 . . . . 13 PRO HD2 . 11121 1 71 . 1 1 13 13 PRO HD3 H 1 3.663 0.030 . 2 . . . . 13 PRO HD3 . 11121 1 72 . 1 1 13 13 PRO HG2 H 1 2.025 0.030 . 2 . . . . 13 PRO HG2 . 11121 1 73 . 1 1 13 13 PRO C C 13 176.889 0.300 . 1 . . . . 13 PRO C . 11121 1 74 . 1 1 13 13 PRO CA C 13 63.283 0.300 . 1 . . . . 13 PRO CA . 11121 1 75 . 1 1 13 13 PRO CB C 13 32.142 0.300 . 1 . . . . 13 PRO CB . 11121 1 76 . 1 1 13 13 PRO CD C 13 50.649 0.300 . 1 . . . . 13 PRO CD . 11121 1 77 . 1 1 13 13 PRO CG C 13 27.179 0.300 . 1 . . . . 13 PRO CG . 11121 1 78 . 1 1 14 14 GLU H H 1 8.570 0.030 . 1 . . . . 14 GLU H . 11121 1 79 . 1 1 14 14 GLU HA H 1 4.193 0.030 . 1 . . . . 14 GLU HA . 11121 1 80 . 1 1 14 14 GLU HB2 H 1 1.973 0.030 . 2 . . . . 14 GLU HB2 . 11121 1 81 . 1 1 14 14 GLU HB3 H 1 1.912 0.030 . 2 . . . . 14 GLU HB3 . 11121 1 82 . 1 1 14 14 GLU HG2 H 1 2.267 0.030 . 2 . . . . 14 GLU HG2 . 11121 1 83 . 1 1 14 14 GLU HG3 H 1 2.204 0.030 . 2 . . . . 14 GLU HG3 . 11121 1 84 . 1 1 14 14 GLU C C 13 176.747 0.300 . 1 . . . . 14 GLU C . 11121 1 85 . 1 1 14 14 GLU CA C 13 56.826 0.300 . 1 . . . . 14 GLU CA . 11121 1 86 . 1 1 14 14 GLU CB C 13 30.172 0.300 . 1 . . . . 14 GLU CB . 11121 1 87 . 1 1 14 14 GLU CG C 13 36.380 0.300 . 1 . . . . 14 GLU CG . 11121 1 88 . 1 1 14 14 GLU N N 15 121.039 0.300 . 1 . . . . 14 GLU N . 11121 1 89 . 1 1 15 15 VAL H H 1 8.049 0.030 . 1 . . . . 15 VAL H . 11121 1 90 . 1 1 15 15 VAL HA H 1 3.789 0.030 . 1 . . . . 15 VAL HA . 11121 1 91 . 1 1 15 15 VAL HB H 1 1.851 0.030 . 1 . . . . 15 VAL HB . 11121 1 92 . 1 1 15 15 VAL HG11 H 1 0.764 0.030 . 1 . . . . 15 VAL HG1 . 11121 1 93 . 1 1 15 15 VAL HG12 H 1 0.764 0.030 . 1 . . . . 15 VAL HG1 . 11121 1 94 . 1 1 15 15 VAL HG13 H 1 0.764 0.030 . 1 . . . . 15 VAL HG1 . 11121 1 95 . 1 1 15 15 VAL HG21 H 1 0.685 0.030 . 1 . . . . 15 VAL HG2 . 11121 1 96 . 1 1 15 15 VAL HG22 H 1 0.685 0.030 . 1 . . . . 15 VAL HG2 . 11121 1 97 . 1 1 15 15 VAL HG23 H 1 0.685 0.030 . 1 . . . . 15 VAL HG2 . 11121 1 98 . 1 1 15 15 VAL C C 13 175.595 0.300 . 1 . . . . 15 VAL C . 11121 1 99 . 1 1 15 15 VAL CA C 13 62.221 0.300 . 1 . . . . 15 VAL CA . 11121 1 100 . 1 1 15 15 VAL CB C 13 32.461 0.300 . 1 . . . . 15 VAL CB . 11121 1 101 . 1 1 15 15 VAL CG1 C 13 20.311 0.300 . 2 . . . . 15 VAL CG1 . 11121 1 102 . 1 1 15 15 VAL CG2 C 13 21.020 0.300 . 2 . . . . 15 VAL CG2 . 11121 1 103 . 1 1 15 15 VAL N N 15 120.769 0.300 . 1 . . . . 15 VAL N . 11121 1 104 . 1 1 16 16 GLN H H 1 8.036 0.030 . 1 . . . . 16 GLN H . 11121 1 105 . 1 1 16 16 GLN HA H 1 4.317 0.030 . 1 . . . . 16 GLN HA . 11121 1 106 . 1 1 16 16 GLN HB2 H 1 1.784 0.030 . 2 . . . . 16 GLN HB2 . 11121 1 107 . 1 1 16 16 GLN HB3 H 1 1.738 0.030 . 2 . . . . 16 GLN HB3 . 11121 1 108 . 1 1 16 16 GLN HE21 H 1 7.414 0.030 . 2 . . . . 16 GLN HE21 . 11121 1 109 . 1 1 16 16 GLN HE22 H 1 6.773 0.030 . 2 . . . . 16 GLN HE22 . 11121 1 110 . 1 1 16 16 GLN HG2 H 1 2.169 0.030 . 2 . . . . 16 GLN HG2 . 11121 1 111 . 1 1 16 16 GLN HG3 H 1 2.220 0.030 . 2 . . . . 16 GLN HG3 . 11121 1 112 . 1 1 16 16 GLN C C 13 175.746 0.300 . 1 . . . . 16 GLN C . 11121 1 113 . 1 1 16 16 GLN CA C 13 55.764 0.300 . 1 . . . . 16 GLN CA . 11121 1 114 . 1 1 16 16 GLN CB C 13 30.013 0.300 . 1 . . . . 16 GLN CB . 11121 1 115 . 1 1 16 16 GLN CG C 13 33.738 0.300 . 1 . . . . 16 GLN CG . 11121 1 116 . 1 1 16 16 GLN N N 15 123.177 0.300 . 1 . . . . 16 GLN N . 11121 1 117 . 1 1 16 16 GLN NE2 N 15 111.989 0.300 . 1 . . . . 16 GLN NE2 . 11121 1 118 . 1 1 17 17 LEU H H 1 8.124 0.030 . 1 . . . . 17 LEU H . 11121 1 119 . 1 1 17 17 LEU HA H 1 4.535 0.030 . 1 . . . . 17 LEU HA . 11121 1 120 . 1 1 17 17 LEU HB2 H 1 1.568 0.030 . 2 . . . . 17 LEU HB2 . 11121 1 121 . 1 1 17 17 LEU HB3 H 1 1.305 0.030 . 2 . . . . 17 LEU HB3 . 11121 1 122 . 1 1 17 17 LEU HD11 H 1 0.881 0.030 . 1 . . . . 17 LEU HD1 . 11121 1 123 . 1 1 17 17 LEU HD12 H 1 0.881 0.030 . 1 . . . . 17 LEU HD1 . 11121 1 124 . 1 1 17 17 LEU HD13 H 1 0.881 0.030 . 1 . . . . 17 LEU HD1 . 11121 1 125 . 1 1 17 17 LEU HD21 H 1 0.656 0.030 . 1 . . . . 17 LEU HD2 . 11121 1 126 . 1 1 17 17 LEU HD22 H 1 0.656 0.030 . 1 . . . . 17 LEU HD2 . 11121 1 127 . 1 1 17 17 LEU HD23 H 1 0.656 0.030 . 1 . . . . 17 LEU HD2 . 11121 1 128 . 1 1 17 17 LEU HG H 1 1.569 0.030 . 1 . . . . 17 LEU HG . 11121 1 129 . 1 1 17 17 LEU C C 13 174.038 0.300 . 1 . . . . 17 LEU C . 11121 1 130 . 1 1 17 17 LEU CA C 13 53.121 0.300 . 1 . . . . 17 LEU CA . 11121 1 131 . 1 1 17 17 LEU CB C 13 40.819 0.300 . 1 . . . . 17 LEU CB . 11121 1 132 . 1 1 17 17 LEU CD1 C 13 24.996 0.300 . 2 . . . . 17 LEU CD1 . 11121 1 133 . 1 1 17 17 LEU CD2 C 13 22.488 0.300 . 2 . . . . 17 LEU CD2 . 11121 1 134 . 1 1 17 17 LEU CG C 13 27.207 0.300 . 1 . . . . 17 LEU CG . 11121 1 135 . 1 1 17 17 LEU N N 15 124.777 0.300 . 1 . . . . 17 LEU N . 11121 1 136 . 1 1 18 18 PRO HA H 1 4.574 0.030 . 1 . . . . 18 PRO HA . 11121 1 137 . 1 1 18 18 PRO HB2 H 1 2.233 0.030 . 2 . . . . 18 PRO HB2 . 11121 1 138 . 1 1 18 18 PRO HB3 H 1 1.976 0.030 . 2 . . . . 18 PRO HB3 . 11121 1 139 . 1 1 18 18 PRO HD2 H 1 3.761 0.030 . 2 . . . . 18 PRO HD2 . 11121 1 140 . 1 1 18 18 PRO HD3 H 1 3.189 0.030 . 2 . . . . 18 PRO HD3 . 11121 1 141 . 1 1 18 18 PRO HG2 H 1 1.788 0.030 . 2 . . . . 18 PRO HG2 . 11121 1 142 . 1 1 18 18 PRO HG3 H 1 1.747 0.030 . 2 . . . . 18 PRO HG3 . 11121 1 143 . 1 1 18 18 PRO C C 13 177.576 0.300 . 1 . . . . 18 PRO C . 11121 1 144 . 1 1 18 18 PRO CA C 13 63.426 0.300 . 1 . . . . 18 PRO CA . 11121 1 145 . 1 1 18 18 PRO CB C 13 33.459 0.300 . 1 . . . . 18 PRO CB . 11121 1 146 . 1 1 18 18 PRO CD C 13 50.227 0.300 . 1 . . . . 18 PRO CD . 11121 1 147 . 1 1 18 18 PRO CG C 13 28.277 0.300 . 1 . . . . 18 PRO CG . 11121 1 148 . 1 1 19 19 GLY H H 1 7.737 0.030 . 1 . . . . 19 GLY H . 11121 1 149 . 1 1 19 19 GLY HA2 H 1 4.269 0.030 . 2 . . . . 19 GLY HA2 . 11121 1 150 . 1 1 19 19 GLY HA3 H 1 3.893 0.030 . 2 . . . . 19 GLY HA3 . 11121 1 151 . 1 1 19 19 GLY C C 13 170.581 0.300 . 1 . . . . 19 GLY C . 11121 1 152 . 1 1 19 19 GLY CA C 13 44.425 0.300 . 1 . . . . 19 GLY CA . 11121 1 153 . 1 1 19 19 GLY N N 15 107.558 0.300 . 1 . . . . 19 GLY N . 11121 1 154 . 1 1 20 20 PRO HA H 1 4.766 0.030 . 1 . . . . 20 PRO HA . 11121 1 155 . 1 1 20 20 PRO HB2 H 1 1.910 0.030 . 2 . . . . 20 PRO HB2 . 11121 1 156 . 1 1 20 20 PRO HB3 H 1 1.780 0.030 . 2 . . . . 20 PRO HB3 . 11121 1 157 . 1 1 20 20 PRO HD2 H 1 3.669 0.030 . 2 . . . . 20 PRO HD2 . 11121 1 158 . 1 1 20 20 PRO HD3 H 1 3.396 0.030 . 2 . . . . 20 PRO HD3 . 11121 1 159 . 1 1 20 20 PRO HG2 H 1 2.156 0.030 . 2 . . . . 20 PRO HG2 . 11121 1 160 . 1 1 20 20 PRO HG3 H 1 2.029 0.030 . 2 . . . . 20 PRO HG3 . 11121 1 161 . 1 1 20 20 PRO C C 13 177.981 0.300 . 1 . . . . 20 PRO C . 11121 1 162 . 1 1 20 20 PRO CA C 13 61.864 0.300 . 1 . . . . 20 PRO CA . 11121 1 163 . 1 1 20 20 PRO CB C 13 31.118 0.300 . 1 . . . . 20 PRO CB . 11121 1 164 . 1 1 20 20 PRO CD C 13 48.756 0.300 . 1 . . . . 20 PRO CD . 11121 1 165 . 1 1 20 20 PRO CG C 13 26.752 0.300 . 1 . . . . 20 PRO CG . 11121 1 166 . 1 1 21 21 ALA H H 1 9.467 0.030 . 1 . . . . 21 ALA H . 11121 1 167 . 1 1 21 21 ALA HA H 1 4.326 0.030 . 1 . . . . 21 ALA HA . 11121 1 168 . 1 1 21 21 ALA HB1 H 1 1.531 0.030 . 1 . . . . 21 ALA HB . 11121 1 169 . 1 1 21 21 ALA HB2 H 1 1.531 0.030 . 1 . . . . 21 ALA HB . 11121 1 170 . 1 1 21 21 ALA HB3 H 1 1.531 0.030 . 1 . . . . 21 ALA HB . 11121 1 171 . 1 1 21 21 ALA C C 13 174.119 0.300 . 1 . . . . 21 ALA C . 11121 1 172 . 1 1 21 21 ALA CA C 13 50.859 0.300 . 1 . . . . 21 ALA CA . 11121 1 173 . 1 1 21 21 ALA CB C 13 18.543 0.300 . 1 . . . . 21 ALA CB . 11121 1 174 . 1 1 21 21 ALA N N 15 131.073 0.300 . 1 . . . . 21 ALA N . 11121 1 175 . 1 1 22 22 PRO HA H 1 4.477 0.030 . 1 . . . . 22 PRO HA . 11121 1 176 . 1 1 22 22 PRO HB2 H 1 2.313 0.030 . 2 . . . . 22 PRO HB2 . 11121 1 177 . 1 1 22 22 PRO HB3 H 1 1.862 0.030 . 2 . . . . 22 PRO HB3 . 11121 1 178 . 1 1 22 22 PRO HD2 H 1 3.338 0.030 . 2 . . . . 22 PRO HD2 . 11121 1 179 . 1 1 22 22 PRO HD3 H 1 4.008 0.030 . 2 . . . . 22 PRO HD3 . 11121 1 180 . 1 1 22 22 PRO HG2 H 1 1.994 0.030 . 2 . . . . 22 PRO HG2 . 11121 1 181 . 1 1 22 22 PRO HG3 H 1 1.946 0.030 . 2 . . . . 22 PRO HG3 . 11121 1 182 . 1 1 22 22 PRO C C 13 175.615 0.300 . 1 . . . . 22 PRO C . 11121 1 183 . 1 1 22 22 PRO CA C 13 62.076 0.300 . 1 . . . . 22 PRO CA . 11121 1 184 . 1 1 22 22 PRO CB C 13 32.848 0.300 . 1 . . . . 22 PRO CB . 11121 1 185 . 1 1 22 22 PRO CD C 13 51.407 0.300 . 1 . . . . 22 PRO CD . 11121 1 186 . 1 1 22 22 PRO CG C 13 27.383 0.300 . 1 . . . . 22 PRO CG . 11121 1 187 . 1 1 23 23 ASN H H 1 8.510 0.030 . 1 . . . . 23 ASN H . 11121 1 188 . 1 1 23 23 ASN HA H 1 4.231 0.030 . 1 . . . . 23 ASN HA . 11121 1 189 . 1 1 23 23 ASN HB2 H 1 2.880 0.030 . 2 . . . . 23 ASN HB2 . 11121 1 190 . 1 1 23 23 ASN HB3 H 1 2.430 0.030 . 2 . . . . 23 ASN HB3 . 11121 1 191 . 1 1 23 23 ASN HD21 H 1 7.822 0.030 . 2 . . . . 23 ASN HD21 . 11121 1 192 . 1 1 23 23 ASN HD22 H 1 6.731 0.030 . 2 . . . . 23 ASN HD22 . 11121 1 193 . 1 1 23 23 ASN C C 13 173.755 0.300 . 1 . . . . 23 ASN C . 11121 1 194 . 1 1 23 23 ASN CA C 13 53.427 0.300 . 1 . . . . 23 ASN CA . 11121 1 195 . 1 1 23 23 ASN CB C 13 36.932 0.300 . 1 . . . . 23 ASN CB . 11121 1 196 . 1 1 23 23 ASN N N 15 112.956 0.300 . 1 . . . . 23 ASN N . 11121 1 197 . 1 1 23 23 ASN ND2 N 15 113.193 0.300 . 1 . . . . 23 ASN ND2 . 11121 1 198 . 1 1 24 24 LEU H H 1 7.810 0.030 . 1 . . . . 24 LEU H . 11121 1 199 . 1 1 24 24 LEU HA H 1 5.156 0.030 . 1 . . . . 24 LEU HA . 11121 1 200 . 1 1 24 24 LEU HB2 H 1 2.021 0.030 . 2 . . . . 24 LEU HB2 . 11121 1 201 . 1 1 24 24 LEU HB3 H 1 1.332 0.030 . 2 . . . . 24 LEU HB3 . 11121 1 202 . 1 1 24 24 LEU HD11 H 1 1.053 0.030 . 1 . . . . 24 LEU HD1 . 11121 1 203 . 1 1 24 24 LEU HD12 H 1 1.053 0.030 . 1 . . . . 24 LEU HD1 . 11121 1 204 . 1 1 24 24 LEU HD13 H 1 1.053 0.030 . 1 . . . . 24 LEU HD1 . 11121 1 205 . 1 1 24 24 LEU HD21 H 1 1.058 0.030 . 1 . . . . 24 LEU HD2 . 11121 1 206 . 1 1 24 24 LEU HD22 H 1 1.058 0.030 . 1 . . . . 24 LEU HD2 . 11121 1 207 . 1 1 24 24 LEU HD23 H 1 1.058 0.030 . 1 . . . . 24 LEU HD2 . 11121 1 208 . 1 1 24 24 LEU HG H 1 1.429 0.030 . 1 . . . . 24 LEU HG . 11121 1 209 . 1 1 24 24 LEU C C 13 176.666 0.300 . 1 . . . . 24 LEU C . 11121 1 210 . 1 1 24 24 LEU CA C 13 55.995 0.300 . 1 . . . . 24 LEU CA . 11121 1 211 . 1 1 24 24 LEU CB C 13 42.227 0.300 . 1 . . . . 24 LEU CB . 11121 1 212 . 1 1 24 24 LEU CD1 C 13 25.863 0.300 . 2 . . . . 24 LEU CD1 . 11121 1 213 . 1 1 24 24 LEU CD2 C 13 27.686 0.300 . 2 . . . . 24 LEU CD2 . 11121 1 214 . 1 1 24 24 LEU CG C 13 27.512 0.300 . 1 . . . . 24 LEU CG . 11121 1 215 . 1 1 24 24 LEU N N 15 119.333 0.300 . 1 . . . . 24 LEU N . 11121 1 216 . 1 1 25 25 ARG H H 1 9.576 0.030 . 1 . . . . 25 ARG H . 11121 1 217 . 1 1 25 25 ARG HA H 1 4.682 0.030 . 1 . . . . 25 ARG HA . 11121 1 218 . 1 1 25 25 ARG HB2 H 1 1.717 0.030 . 1 . . . . 25 ARG HB2 . 11121 1 219 . 1 1 25 25 ARG HB3 H 1 1.717 0.030 . 1 . . . . 25 ARG HB3 . 11121 1 220 . 1 1 25 25 ARG HD2 H 1 3.192 0.030 . 2 . . . . 25 ARG HD2 . 11121 1 221 . 1 1 25 25 ARG HD3 H 1 3.095 0.030 . 2 . . . . 25 ARG HD3 . 11121 1 222 . 1 1 25 25 ARG HG2 H 1 1.588 0.030 . 2 . . . . 25 ARG HG2 . 11121 1 223 . 1 1 25 25 ARG HG3 H 1 1.547 0.030 . 2 . . . . 25 ARG HG3 . 11121 1 224 . 1 1 25 25 ARG C C 13 173.088 0.300 . 1 . . . . 25 ARG C . 11121 1 225 . 1 1 25 25 ARG CA C 13 54.865 0.300 . 1 . . . . 25 ARG CA . 11121 1 226 . 1 1 25 25 ARG CB C 13 34.437 0.300 . 1 . . . . 25 ARG CB . 11121 1 227 . 1 1 25 25 ARG CD C 13 43.759 0.300 . 1 . . . . 25 ARG CD . 11121 1 228 . 1 1 25 25 ARG CG C 13 27.012 0.300 . 1 . . . . 25 ARG CG . 11121 1 229 . 1 1 25 25 ARG N N 15 128.292 0.300 . 1 . . . . 25 ARG N . 11121 1 230 . 1 1 26 26 ALA H H 1 8.317 0.030 . 1 . . . . 26 ALA H . 11121 1 231 . 1 1 26 26 ALA HA H 1 5.251 0.030 . 1 . . . . 26 ALA HA . 11121 1 232 . 1 1 26 26 ALA HB1 H 1 0.862 0.030 . 1 . . . . 26 ALA HB . 11121 1 233 . 1 1 26 26 ALA HB2 H 1 0.862 0.030 . 1 . . . . 26 ALA HB . 11121 1 234 . 1 1 26 26 ALA HB3 H 1 0.862 0.030 . 1 . . . . 26 ALA HB . 11121 1 235 . 1 1 26 26 ALA C C 13 175.211 0.300 . 1 . . . . 26 ALA C . 11121 1 236 . 1 1 26 26 ALA CA C 13 50.463 0.300 . 1 . . . . 26 ALA CA . 11121 1 237 . 1 1 26 26 ALA CB C 13 23.364 0.300 . 1 . . . . 26 ALA CB . 11121 1 238 . 1 1 26 26 ALA N N 15 121.162 0.300 . 1 . . . . 26 ALA N . 11121 1 239 . 1 1 27 27 TYR H H 1 8.707 0.030 . 1 . . . . 27 TYR H . 11121 1 240 . 1 1 27 27 TYR HA H 1 4.828 0.030 . 1 . . . . 27 TYR HA . 11121 1 241 . 1 1 27 27 TYR HB2 H 1 2.958 0.030 . 2 . . . . 27 TYR HB2 . 11121 1 242 . 1 1 27 27 TYR HB3 H 1 2.857 0.030 . 2 . . . . 27 TYR HB3 . 11121 1 243 . 1 1 27 27 TYR HD1 H 1 6.846 0.030 . 1 . . . . 27 TYR HD1 . 11121 1 244 . 1 1 27 27 TYR HD2 H 1 6.846 0.030 . 1 . . . . 27 TYR HD2 . 11121 1 245 . 1 1 27 27 TYR HE1 H 1 6.656 0.030 . 1 . . . . 27 TYR HE1 . 11121 1 246 . 1 1 27 27 TYR HE2 H 1 6.656 0.030 . 1 . . . . 27 TYR HE2 . 11121 1 247 . 1 1 27 27 TYR C C 13 173.190 0.300 . 1 . . . . 27 TYR C . 11121 1 248 . 1 1 27 27 TYR CA C 13 55.834 0.300 . 1 . . . . 27 TYR CA . 11121 1 249 . 1 1 27 27 TYR CB C 13 40.840 0.300 . 1 . . . . 27 TYR CB . 11121 1 250 . 1 1 27 27 TYR CD1 C 13 133.813 0.300 . 1 . . . . 27 TYR CD1 . 11121 1 251 . 1 1 27 27 TYR CD2 C 13 133.813 0.300 . 1 . . . . 27 TYR CD2 . 11121 1 252 . 1 1 27 27 TYR CE1 C 13 117.527 0.300 . 1 . . . . 27 TYR CE1 . 11121 1 253 . 1 1 27 27 TYR CE2 C 13 117.527 0.300 . 1 . . . . 27 TYR CE2 . 11121 1 254 . 1 1 27 27 TYR N N 15 117.486 0.300 . 1 . . . . 27 TYR N . 11121 1 255 . 1 1 28 28 ALA H H 1 9.050 0.030 . 1 . . . . 28 ALA H . 11121 1 256 . 1 1 28 28 ALA HA H 1 4.586 0.030 . 1 . . . . 28 ALA HA . 11121 1 257 . 1 1 28 28 ALA HB1 H 1 1.582 0.030 . 1 . . . . 28 ALA HB . 11121 1 258 . 1 1 28 28 ALA HB2 H 1 1.582 0.030 . 1 . . . . 28 ALA HB . 11121 1 259 . 1 1 28 28 ALA HB3 H 1 1.582 0.030 . 1 . . . . 28 ALA HB . 11121 1 260 . 1 1 28 28 ALA C C 13 175.757 0.300 . 1 . . . . 28 ALA C . 11121 1 261 . 1 1 28 28 ALA CA C 13 52.414 0.300 . 1 . . . . 28 ALA CA . 11121 1 262 . 1 1 28 28 ALA CB C 13 19.394 0.300 . 1 . . . . 28 ALA CB . 11121 1 263 . 1 1 28 28 ALA N N 15 125.354 0.300 . 1 . . . . 28 ALA N . 11121 1 264 . 1 1 29 29 ALA H H 1 8.243 0.030 . 1 . . . . 29 ALA H . 11121 1 265 . 1 1 29 29 ALA HA H 1 4.474 0.030 . 1 . . . . 29 ALA HA . 11121 1 266 . 1 1 29 29 ALA HB1 H 1 1.294 0.030 . 1 . . . . 29 ALA HB . 11121 1 267 . 1 1 29 29 ALA HB2 H 1 1.294 0.030 . 1 . . . . 29 ALA HB . 11121 1 268 . 1 1 29 29 ALA HB3 H 1 1.294 0.030 . 1 . . . . 29 ALA HB . 11121 1 269 . 1 1 29 29 ALA C C 13 176.889 0.300 . 1 . . . . 29 ALA C . 11121 1 270 . 1 1 29 29 ALA CA C 13 52.366 0.300 . 1 . . . . 29 ALA CA . 11121 1 271 . 1 1 29 29 ALA CB C 13 19.727 0.300 . 1 . . . . 29 ALA CB . 11121 1 272 . 1 1 29 29 ALA N N 15 127.669 0.300 . 1 . . . . 29 ALA N . 11121 1 273 . 1 1 30 30 SER H H 1 8.476 0.030 . 1 . . . . 30 SER H . 11121 1 274 . 1 1 30 30 SER HA H 1 4.888 0.030 . 1 . . . . 30 SER HA . 11121 1 275 . 1 1 30 30 SER HB2 H 1 4.400 0.030 . 2 . . . . 30 SER HB2 . 11121 1 276 . 1 1 30 30 SER HB3 H 1 3.937 0.030 . 2 . . . . 30 SER HB3 . 11121 1 277 . 1 1 30 30 SER C C 13 172.481 0.300 . 1 . . . . 30 SER C . 11121 1 278 . 1 1 30 30 SER CA C 13 57.787 0.300 . 1 . . . . 30 SER CA . 11121 1 279 . 1 1 30 30 SER CB C 13 63.284 0.300 . 1 . . . . 30 SER CB . 11121 1 280 . 1 1 30 30 SER N N 15 114.315 0.300 . 1 . . . . 30 SER N . 11121 1 281 . 1 1 31 31 PRO HA H 1 4.976 0.030 . 1 . . . . 31 PRO HA . 11121 1 282 . 1 1 31 31 PRO HB2 H 1 2.351 0.030 . 2 . . . . 31 PRO HB2 . 11121 1 283 . 1 1 31 31 PRO HB3 H 1 1.895 0.030 . 2 . . . . 31 PRO HB3 . 11121 1 284 . 1 1 31 31 PRO HD2 H 1 4.024 0.030 . 2 . . . . 31 PRO HD2 . 11121 1 285 . 1 1 31 31 PRO HD3 H 1 3.822 0.030 . 2 . . . . 31 PRO HD3 . 11121 1 286 . 1 1 31 31 PRO HG2 H 1 2.183 0.030 . 2 . . . . 31 PRO HG2 . 11121 1 287 . 1 1 31 31 PRO HG3 H 1 1.725 0.030 . 2 . . . . 31 PRO HG3 . 11121 1 288 . 1 1 31 31 PRO C C 13 173.735 0.300 . 1 . . . . 31 PRO C . 11121 1 289 . 1 1 31 31 PRO CA C 13 65.033 0.300 . 1 . . . . 31 PRO CA . 11121 1 290 . 1 1 31 31 PRO CB C 13 32.863 0.300 . 1 . . . . 31 PRO CB . 11121 1 291 . 1 1 31 31 PRO CD C 13 51.736 0.300 . 1 . . . . 31 PRO CD . 11121 1 292 . 1 1 31 31 PRO CG C 13 28.418 0.300 . 1 . . . . 31 PRO CG . 11121 1 293 . 1 1 32 32 THR H H 1 7.780 0.030 . 1 . . . . 32 THR H . 11121 1 294 . 1 1 32 32 THR HA H 1 4.533 0.030 . 1 . . . . 32 THR HA . 11121 1 295 . 1 1 32 32 THR HB H 1 4.643 0.030 . 1 . . . . 32 THR HB . 11121 1 296 . 1 1 32 32 THR HG21 H 1 1.087 0.030 . 1 . . . . 32 THR HG2 . 11121 1 297 . 1 1 32 32 THR HG22 H 1 1.087 0.030 . 1 . . . . 32 THR HG2 . 11121 1 298 . 1 1 32 32 THR HG23 H 1 1.087 0.030 . 1 . . . . 32 THR HG2 . 11121 1 299 . 1 1 32 32 THR C C 13 174.169 0.300 . 1 . . . . 32 THR C . 11121 1 300 . 1 1 32 32 THR CA C 13 59.047 0.300 . 1 . . . . 32 THR CA . 11121 1 301 . 1 1 32 32 THR CB C 13 70.828 0.300 . 1 . . . . 32 THR CB . 11121 1 302 . 1 1 32 32 THR CG2 C 13 21.049 0.300 . 1 . . . . 32 THR CG2 . 11121 1 303 . 1 1 32 32 THR N N 15 97.834 0.300 . 1 . . . . 32 THR N . 11121 1 304 . 1 1 33 33 SER H H 1 7.260 0.030 . 1 . . . . 33 SER H . 11121 1 305 . 1 1 33 33 SER HA H 1 5.623 0.030 . 1 . . . . 33 SER HA . 11121 1 306 . 1 1 33 33 SER HB2 H 1 3.664 0.030 . 2 . . . . 33 SER HB2 . 11121 1 307 . 1 1 33 33 SER HB3 H 1 3.459 0.030 . 2 . . . . 33 SER HB3 . 11121 1 308 . 1 1 33 33 SER C C 13 173.068 0.300 . 1 . . . . 33 SER C . 11121 1 309 . 1 1 33 33 SER CA C 13 56.802 0.300 . 1 . . . . 33 SER CA . 11121 1 310 . 1 1 33 33 SER CB C 13 67.075 0.300 . 1 . . . . 33 SER CB . 11121 1 311 . 1 1 33 33 SER N N 15 114.490 0.300 . 1 . . . . 33 SER N . 11121 1 312 . 1 1 34 34 ILE H H 1 7.998 0.030 . 1 . . . . 34 ILE H . 11121 1 313 . 1 1 34 34 ILE HA H 1 4.499 0.030 . 1 . . . . 34 ILE HA . 11121 1 314 . 1 1 34 34 ILE HB H 1 1.075 0.030 . 1 . . . . 34 ILE HB . 11121 1 315 . 1 1 34 34 ILE HD11 H 1 0.887 0.030 . 1 . . . . 34 ILE HD1 . 11121 1 316 . 1 1 34 34 ILE HD12 H 1 0.887 0.030 . 1 . . . . 34 ILE HD1 . 11121 1 317 . 1 1 34 34 ILE HD13 H 1 0.887 0.030 . 1 . . . . 34 ILE HD1 . 11121 1 318 . 1 1 34 34 ILE HG12 H 1 1.496 0.030 . 2 . . . . 34 ILE HG12 . 11121 1 319 . 1 1 34 34 ILE HG13 H 1 0.700 0.030 . 2 . . . . 34 ILE HG13 . 11121 1 320 . 1 1 34 34 ILE HG21 H 1 0.314 0.030 . 1 . . . . 34 ILE HG2 . 11121 1 321 . 1 1 34 34 ILE HG22 H 1 0.314 0.030 . 1 . . . . 34 ILE HG2 . 11121 1 322 . 1 1 34 34 ILE HG23 H 1 0.314 0.030 . 1 . . . . 34 ILE HG2 . 11121 1 323 . 1 1 34 34 ILE C C 13 173.209 0.300 . 1 . . . . 34 ILE C . 11121 1 324 . 1 1 34 34 ILE CA C 13 59.887 0.300 . 1 . . . . 34 ILE CA . 11121 1 325 . 1 1 34 34 ILE CB C 13 43.943 0.300 . 1 . . . . 34 ILE CB . 11121 1 326 . 1 1 34 34 ILE CD1 C 13 15.358 0.300 . 1 . . . . 34 ILE CD1 . 11121 1 327 . 1 1 34 34 ILE CG1 C 13 29.424 0.300 . 1 . . . . 34 ILE CG1 . 11121 1 328 . 1 1 34 34 ILE CG2 C 13 18.199 0.300 . 1 . . . . 34 ILE CG2 . 11121 1 329 . 1 1 34 34 ILE N N 15 122.790 0.300 . 1 . . . . 34 ILE N . 11121 1 330 . 1 1 35 35 THR H H 1 8.612 0.030 . 1 . . . . 35 THR H . 11121 1 331 . 1 1 35 35 THR HA H 1 4.686 0.030 . 1 . . . . 35 THR HA . 11121 1 332 . 1 1 35 35 THR HB H 1 3.078 0.030 . 1 . . . . 35 THR HB . 11121 1 333 . 1 1 35 35 THR HG21 H 1 0.862 0.030 . 1 . . . . 35 THR HG2 . 11121 1 334 . 1 1 35 35 THR HG22 H 1 0.862 0.030 . 1 . . . . 35 THR HG2 . 11121 1 335 . 1 1 35 35 THR HG23 H 1 0.862 0.030 . 1 . . . . 35 THR HG2 . 11121 1 336 . 1 1 35 35 THR C C 13 171.874 0.300 . 1 . . . . 35 THR C . 11121 1 337 . 1 1 35 35 THR CA C 13 62.144 0.300 . 1 . . . . 35 THR CA . 11121 1 338 . 1 1 35 35 THR CB C 13 70.505 0.300 . 1 . . . . 35 THR CB . 11121 1 339 . 1 1 35 35 THR CG2 C 13 22.060 0.300 . 1 . . . . 35 THR CG2 . 11121 1 340 . 1 1 35 35 THR N N 15 124.680 0.300 . 1 . . . . 35 THR N . 11121 1 341 . 1 1 36 36 VAL H H 1 8.925 0.030 . 1 . . . . 36 VAL H . 11121 1 342 . 1 1 36 36 VAL HA H 1 4.826 0.030 . 1 . . . . 36 VAL HA . 11121 1 343 . 1 1 36 36 VAL HB H 1 1.937 0.030 . 1 . . . . 36 VAL HB . 11121 1 344 . 1 1 36 36 VAL HG11 H 1 0.974 0.030 . 1 . . . . 36 VAL HG1 . 11121 1 345 . 1 1 36 36 VAL HG12 H 1 0.974 0.030 . 1 . . . . 36 VAL HG1 . 11121 1 346 . 1 1 36 36 VAL HG13 H 1 0.974 0.030 . 1 . . . . 36 VAL HG1 . 11121 1 347 . 1 1 36 36 VAL HG21 H 1 0.238 0.030 . 1 . . . . 36 VAL HG2 . 11121 1 348 . 1 1 36 36 VAL HG22 H 1 0.238 0.030 . 1 . . . . 36 VAL HG2 . 11121 1 349 . 1 1 36 36 VAL HG23 H 1 0.238 0.030 . 1 . . . . 36 VAL HG2 . 11121 1 350 . 1 1 36 36 VAL C C 13 174.412 0.300 . 1 . . . . 36 VAL C . 11121 1 351 . 1 1 36 36 VAL CA C 13 60.236 0.300 . 1 . . . . 36 VAL CA . 11121 1 352 . 1 1 36 36 VAL CB C 13 34.094 0.300 . 1 . . . . 36 VAL CB . 11121 1 353 . 1 1 36 36 VAL CG1 C 13 22.965 0.300 . 2 . . . . 36 VAL CG1 . 11121 1 354 . 1 1 36 36 VAL CG2 C 13 21.568 0.300 . 2 . . . . 36 VAL CG2 . 11121 1 355 . 1 1 36 36 VAL N N 15 129.216 0.300 . 1 . . . . 36 VAL N . 11121 1 356 . 1 1 37 37 THR H H 1 9.143 0.030 . 1 . . . . 37 THR H . 11121 1 357 . 1 1 37 37 THR HA H 1 4.850 0.030 . 1 . . . . 37 THR HA . 11121 1 358 . 1 1 37 37 THR HB H 1 4.027 0.030 . 1 . . . . 37 THR HB . 11121 1 359 . 1 1 37 37 THR HG21 H 1 1.030 0.030 . 1 . . . . 37 THR HG2 . 11121 1 360 . 1 1 37 37 THR HG22 H 1 1.030 0.030 . 1 . . . . 37 THR HG2 . 11121 1 361 . 1 1 37 37 THR HG23 H 1 1.030 0.030 . 1 . . . . 37 THR HG2 . 11121 1 362 . 1 1 37 37 THR C C 13 172.269 0.300 . 1 . . . . 37 THR C . 11121 1 363 . 1 1 37 37 THR CA C 13 60.485 0.300 . 1 . . . . 37 THR CA . 11121 1 364 . 1 1 37 37 THR CB C 13 72.132 0.300 . 1 . . . . 37 THR CB . 11121 1 365 . 1 1 37 37 THR CG2 C 13 20.876 0.300 . 1 . . . . 37 THR CG2 . 11121 1 366 . 1 1 37 37 THR N N 15 117.368 0.300 . 1 . . . . 37 THR N . 11121 1 367 . 1 1 38 38 TRP H H 1 7.692 0.030 . 1 . . . . 38 TRP H . 11121 1 368 . 1 1 38 38 TRP HA H 1 4.924 0.030 . 1 . . . . 38 TRP HA . 11121 1 369 . 1 1 38 38 TRP HB2 H 1 3.565 0.030 . 2 . . . . 38 TRP HB2 . 11121 1 370 . 1 1 38 38 TRP HB3 H 1 2.918 0.030 . 2 . . . . 38 TRP HB3 . 11121 1 371 . 1 1 38 38 TRP HD1 H 1 6.754 0.030 . 1 . . . . 38 TRP HD1 . 11121 1 372 . 1 1 38 38 TRP HE1 H 1 5.720 0.030 . 1 . . . . 38 TRP HE1 . 11121 1 373 . 1 1 38 38 TRP HE3 H 1 6.965 0.030 . 1 . . . . 38 TRP HE3 . 11121 1 374 . 1 1 38 38 TRP HH2 H 1 6.532 0.030 . 1 . . . . 38 TRP HH2 . 11121 1 375 . 1 1 38 38 TRP HZ2 H 1 6.948 0.030 . 1 . . . . 38 TRP HZ2 . 11121 1 376 . 1 1 38 38 TRP HZ3 H 1 6.504 0.030 . 1 . . . . 38 TRP HZ3 . 11121 1 377 . 1 1 38 38 TRP C C 13 173.755 0.300 . 1 . . . . 38 TRP C . 11121 1 378 . 1 1 38 38 TRP CA C 13 57.316 0.300 . 1 . . . . 38 TRP CA . 11121 1 379 . 1 1 38 38 TRP CB C 13 30.003 0.300 . 1 . . . . 38 TRP CB . 11121 1 380 . 1 1 38 38 TRP CD1 C 13 125.750 0.300 . 1 . . . . 38 TRP CD1 . 11121 1 381 . 1 1 38 38 TRP CE3 C 13 120.262 0.300 . 1 . . . . 38 TRP CE3 . 11121 1 382 . 1 1 38 38 TRP CH2 C 13 121.979 0.300 . 1 . . . . 38 TRP CH2 . 11121 1 383 . 1 1 38 38 TRP CZ2 C 13 114.569 0.300 . 1 . . . . 38 TRP CZ2 . 11121 1 384 . 1 1 38 38 TRP CZ3 C 13 120.954 0.300 . 1 . . . . 38 TRP CZ3 . 11121 1 385 . 1 1 38 38 TRP N N 15 118.439 0.300 . 1 . . . . 38 TRP N . 11121 1 386 . 1 1 38 38 TRP NE1 N 15 123.465 0.300 . 1 . . . . 38 TRP NE1 . 11121 1 387 . 1 1 39 39 GLU H H 1 7.946 0.030 . 1 . . . . 39 GLU H . 11121 1 388 . 1 1 39 39 GLU HA H 1 4.614 0.030 . 1 . . . . 39 GLU HA . 11121 1 389 . 1 1 39 39 GLU HB2 H 1 2.156 0.030 . 2 . . . . 39 GLU HB2 . 11121 1 390 . 1 1 39 39 GLU HB3 H 1 1.790 0.030 . 2 . . . . 39 GLU HB3 . 11121 1 391 . 1 1 39 39 GLU HG2 H 1 2.246 0.030 . 2 . . . . 39 GLU HG2 . 11121 1 392 . 1 1 39 39 GLU HG3 H 1 2.172 0.030 . 2 . . . . 39 GLU HG3 . 11121 1 393 . 1 1 39 39 GLU C C 13 175.110 0.300 . 1 . . . . 39 GLU C . 11121 1 394 . 1 1 39 39 GLU CA C 13 54.198 0.300 . 1 . . . . 39 GLU CA . 11121 1 395 . 1 1 39 39 GLU CB C 13 32.009 0.300 . 1 . . . . 39 GLU CB . 11121 1 396 . 1 1 39 39 GLU CG C 13 37.205 0.300 . 1 . . . . 39 GLU CG . 11121 1 397 . 1 1 39 39 GLU N N 15 117.013 0.300 . 1 . . . . 39 GLU N . 11121 1 398 . 1 1 40 40 THR H H 1 7.954 0.030 . 1 . . . . 40 THR H . 11121 1 399 . 1 1 40 40 THR HA H 1 5.012 0.030 . 1 . . . . 40 THR HA . 11121 1 400 . 1 1 40 40 THR HB H 1 3.998 0.030 . 1 . . . . 40 THR HB . 11121 1 401 . 1 1 40 40 THR HG21 H 1 1.605 0.030 . 1 . . . . 40 THR HG2 . 11121 1 402 . 1 1 40 40 THR HG22 H 1 1.605 0.030 . 1 . . . . 40 THR HG2 . 11121 1 403 . 1 1 40 40 THR HG23 H 1 1.605 0.030 . 1 . . . . 40 THR HG2 . 11121 1 404 . 1 1 40 40 THR C C 13 173.836 0.300 . 1 . . . . 40 THR C . 11121 1 405 . 1 1 40 40 THR CA C 13 61.404 0.300 . 1 . . . . 40 THR CA . 11121 1 406 . 1 1 40 40 THR CB C 13 70.656 0.300 . 1 . . . . 40 THR CB . 11121 1 407 . 1 1 40 40 THR CG2 C 13 21.980 0.300 . 1 . . . . 40 THR CG2 . 11121 1 408 . 1 1 40 40 THR N N 15 115.644 0.300 . 1 . . . . 40 THR N . 11121 1 409 . 1 1 41 41 PRO HA H 1 4.458 0.030 . 1 . . . . 41 PRO HA . 11121 1 410 . 1 1 41 41 PRO HB2 H 1 2.197 0.030 . 2 . . . . 41 PRO HB2 . 11121 1 411 . 1 1 41 41 PRO HB3 H 1 1.954 0.030 . 2 . . . . 41 PRO HB3 . 11121 1 412 . 1 1 41 41 PRO HD2 H 1 4.217 0.030 . 2 . . . . 41 PRO HD2 . 11121 1 413 . 1 1 41 41 PRO HD3 H 1 4.580 0.030 . 2 . . . . 41 PRO HD3 . 11121 1 414 . 1 1 41 41 PRO HG2 H 1 2.017 0.030 . 2 . . . . 41 PRO HG2 . 11121 1 415 . 1 1 41 41 PRO HG3 H 1 1.930 0.030 . 2 . . . . 41 PRO HG3 . 11121 1 416 . 1 1 41 41 PRO C C 13 176.404 0.300 . 1 . . . . 41 PRO C . 11121 1 417 . 1 1 41 41 PRO CA C 13 63.385 0.300 . 1 . . . . 41 PRO CA . 11121 1 418 . 1 1 41 41 PRO CB C 13 33.089 0.300 . 1 . . . . 41 PRO CB . 11121 1 419 . 1 1 41 41 PRO CD C 13 51.861 0.300 . 1 . . . . 41 PRO CD . 11121 1 420 . 1 1 41 41 PRO CG C 13 27.672 0.300 . 1 . . . . 41 PRO CG . 11121 1 421 . 1 1 42 42 VAL H H 1 8.611 0.030 . 1 . . . . 42 VAL H . 11121 1 422 . 1 1 42 42 VAL HA H 1 4.164 0.030 . 1 . . . . 42 VAL HA . 11121 1 423 . 1 1 42 42 VAL HB H 1 2.265 0.030 . 1 . . . . 42 VAL HB . 11121 1 424 . 1 1 42 42 VAL HG11 H 1 1.032 0.030 . 1 . . . . 42 VAL HG1 . 11121 1 425 . 1 1 42 42 VAL HG12 H 1 1.032 0.030 . 1 . . . . 42 VAL HG1 . 11121 1 426 . 1 1 42 42 VAL HG13 H 1 1.032 0.030 . 1 . . . . 42 VAL HG1 . 11121 1 427 . 1 1 42 42 VAL HG21 H 1 1.004 0.030 . 1 . . . . 42 VAL HG2 . 11121 1 428 . 1 1 42 42 VAL HG22 H 1 1.004 0.030 . 1 . . . . 42 VAL HG2 . 11121 1 429 . 1 1 42 42 VAL HG23 H 1 1.004 0.030 . 1 . . . . 42 VAL HG2 . 11121 1 430 . 1 1 42 42 VAL C C 13 176.333 0.300 . 1 . . . . 42 VAL C . 11121 1 431 . 1 1 42 42 VAL CA C 13 62.693 0.300 . 1 . . . . 42 VAL CA . 11121 1 432 . 1 1 42 42 VAL CB C 13 31.982 0.300 . 1 . . . . 42 VAL CB . 11121 1 433 . 1 1 42 42 VAL CG1 C 13 21.527 0.300 . 2 . . . . 42 VAL CG1 . 11121 1 434 . 1 1 42 42 VAL CG2 C 13 20.013 0.300 . 2 . . . . 42 VAL CG2 . 11121 1 435 . 1 1 42 42 VAL N N 15 118.580 0.300 . 1 . . . . 42 VAL N . 11121 1 436 . 1 1 43 43 SER H H 1 7.872 0.030 . 1 . . . . 43 SER H . 11121 1 437 . 1 1 43 43 SER HA H 1 4.604 0.030 . 1 . . . . 43 SER HA . 11121 1 438 . 1 1 43 43 SER HB2 H 1 3.952 0.030 . 2 . . . . 43 SER HB2 . 11121 1 439 . 1 1 43 43 SER HB3 H 1 3.811 0.030 . 2 . . . . 43 SER HB3 . 11121 1 440 . 1 1 43 43 SER C C 13 174.635 0.300 . 1 . . . . 43 SER C . 11121 1 441 . 1 1 43 43 SER CA C 13 57.712 0.300 . 1 . . . . 43 SER CA . 11121 1 442 . 1 1 43 43 SER CB C 13 64.950 0.300 . 1 . . . . 43 SER CB . 11121 1 443 . 1 1 43 43 SER N N 15 116.037 0.300 . 1 . . . . 43 SER N . 11121 1 444 . 1 1 44 44 GLY H H 1 8.443 0.030 . 1 . . . . 44 GLY H . 11121 1 445 . 1 1 44 44 GLY HA2 H 1 4.012 0.030 . 2 . . . . 44 GLY HA2 . 11121 1 446 . 1 1 44 44 GLY HA3 H 1 3.557 0.030 . 2 . . . . 44 GLY HA3 . 11121 1 447 . 1 1 44 44 GLY C C 13 173.886 0.300 . 1 . . . . 44 GLY C . 11121 1 448 . 1 1 44 44 GLY CA C 13 45.429 0.300 . 1 . . . . 44 GLY CA . 11121 1 449 . 1 1 44 44 GLY N N 15 111.377 0.300 . 1 . . . . 44 GLY N . 11121 1 450 . 1 1 45 45 ASN H H 1 8.087 0.030 . 1 . . . . 45 ASN H . 11121 1 451 . 1 1 45 45 ASN HA H 1 4.758 0.030 . 1 . . . . 45 ASN HA . 11121 1 452 . 1 1 45 45 ASN HB2 H 1 2.814 0.030 . 1 . . . . 45 ASN HB2 . 11121 1 453 . 1 1 45 45 ASN HB3 H 1 2.814 0.030 . 1 . . . . 45 ASN HB3 . 11121 1 454 . 1 1 45 45 ASN HD21 H 1 7.859 0.030 . 2 . . . . 45 ASN HD21 . 11121 1 455 . 1 1 45 45 ASN HD22 H 1 7.004 0.030 . 2 . . . . 45 ASN HD22 . 11121 1 456 . 1 1 45 45 ASN C C 13 174.918 0.300 . 1 . . . . 45 ASN C . 11121 1 457 . 1 1 45 45 ASN CA C 13 53.412 0.300 . 1 . . . . 45 ASN CA . 11121 1 458 . 1 1 45 45 ASN CB C 13 39.420 0.300 . 1 . . . . 45 ASN CB . 11121 1 459 . 1 1 45 45 ASN N N 15 119.017 0.300 . 1 . . . . 45 ASN N . 11121 1 460 . 1 1 45 45 ASN ND2 N 15 112.668 0.300 . 1 . . . . 45 ASN ND2 . 11121 1 461 . 1 1 46 46 GLY H H 1 8.295 0.030 . 1 . . . . 46 GLY H . 11121 1 462 . 1 1 46 46 GLY HA2 H 1 4.205 0.030 . 2 . . . . 46 GLY HA2 . 11121 1 463 . 1 1 46 46 GLY HA3 H 1 3.879 0.030 . 2 . . . . 46 GLY HA3 . 11121 1 464 . 1 1 46 46 GLY C C 13 173.795 0.300 . 1 . . . . 46 GLY C . 11121 1 465 . 1 1 46 46 GLY CA C 13 45.004 0.300 . 1 . . . . 46 GLY CA . 11121 1 466 . 1 1 46 46 GLY N N 15 110.368 0.300 . 1 . . . . 46 GLY N . 11121 1 467 . 1 1 47 47 GLU H H 1 8.388 0.030 . 1 . . . . 47 GLU H . 11121 1 468 . 1 1 47 47 GLU HA H 1 4.336 0.030 . 1 . . . . 47 GLU HA . 11121 1 469 . 1 1 47 47 GLU HB2 H 1 2.029 0.030 . 2 . . . . 47 GLU HB2 . 11121 1 470 . 1 1 47 47 GLU HB3 H 1 1.942 0.030 . 2 . . . . 47 GLU HB3 . 11121 1 471 . 1 1 47 47 GLU HG2 H 1 2.289 0.030 . 2 . . . . 47 GLU HG2 . 11121 1 472 . 1 1 47 47 GLU HG3 H 1 2.240 0.030 . 2 . . . . 47 GLU HG3 . 11121 1 473 . 1 1 47 47 GLU C C 13 176.899 0.300 . 1 . . . . 47 GLU C . 11121 1 474 . 1 1 47 47 GLU CA C 13 56.142 0.300 . 1 . . . . 47 GLU CA . 11121 1 475 . 1 1 47 47 GLU CB C 13 30.412 0.300 . 1 . . . . 47 GLU CB . 11121 1 476 . 1 1 47 47 GLU CG C 13 36.259 0.300 . 1 . . . . 47 GLU CG . 11121 1 477 . 1 1 47 47 GLU N N 15 120.527 0.300 . 1 . . . . 47 GLU N . 11121 1 478 . 1 1 48 48 ILE H H 1 8.553 0.030 . 1 . . . . 48 ILE H . 11121 1 479 . 1 1 48 48 ILE HA H 1 4.050 0.030 . 1 . . . . 48 ILE HA . 11121 1 480 . 1 1 48 48 ILE HB H 1 2.000 0.030 . 1 . . . . 48 ILE HB . 11121 1 481 . 1 1 48 48 ILE HD11 H 1 0.795 0.030 . 1 . . . . 48 ILE HD1 . 11121 1 482 . 1 1 48 48 ILE HD12 H 1 0.795 0.030 . 1 . . . . 48 ILE HD1 . 11121 1 483 . 1 1 48 48 ILE HD13 H 1 0.795 0.030 . 1 . . . . 48 ILE HD1 . 11121 1 484 . 1 1 48 48 ILE HG12 H 1 1.538 0.030 . 2 . . . . 48 ILE HG12 . 11121 1 485 . 1 1 48 48 ILE HG13 H 1 1.558 0.030 . 2 . . . . 48 ILE HG13 . 11121 1 486 . 1 1 48 48 ILE HG21 H 1 0.457 0.030 . 1 . . . . 48 ILE HG2 . 11121 1 487 . 1 1 48 48 ILE HG22 H 1 0.457 0.030 . 1 . . . . 48 ILE HG2 . 11121 1 488 . 1 1 48 48 ILE HG23 H 1 0.457 0.030 . 1 . . . . 48 ILE HG2 . 11121 1 489 . 1 1 48 48 ILE C C 13 177.001 0.300 . 1 . . . . 48 ILE C . 11121 1 490 . 1 1 48 48 ILE CA C 13 60.019 0.300 . 1 . . . . 48 ILE CA . 11121 1 491 . 1 1 48 48 ILE CB C 13 36.123 0.300 . 1 . . . . 48 ILE CB . 11121 1 492 . 1 1 48 48 ILE CD1 C 13 11.022 0.300 . 1 . . . . 48 ILE CD1 . 11121 1 493 . 1 1 48 48 ILE CG1 C 13 27.522 0.300 . 1 . . . . 48 ILE CG1 . 11121 1 494 . 1 1 48 48 ILE CG2 C 13 17.479 0.300 . 1 . . . . 48 ILE CG2 . 11121 1 495 . 1 1 48 48 ILE N N 15 122.680 0.300 . 1 . . . . 48 ILE N . 11121 1 496 . 1 1 49 49 GLN H H 1 9.013 0.030 . 1 . . . . 49 GLN H . 11121 1 497 . 1 1 49 49 GLN HA H 1 4.298 0.030 . 1 . . . . 49 GLN HA . 11121 1 498 . 1 1 49 49 GLN HB2 H 1 2.018 0.030 . 2 . . . . 49 GLN HB2 . 11121 1 499 . 1 1 49 49 GLN HB3 H 1 1.650 0.030 . 2 . . . . 49 GLN HB3 . 11121 1 500 . 1 1 49 49 GLN HE21 H 1 7.209 0.030 . 2 . . . . 49 GLN HE21 . 11121 1 501 . 1 1 49 49 GLN HE22 H 1 6.897 0.030 . 2 . . . . 49 GLN HE22 . 11121 1 502 . 1 1 49 49 GLN HG2 H 1 2.229 0.030 . 1 . . . . 49 GLN HG2 . 11121 1 503 . 1 1 49 49 GLN HG3 H 1 2.229 0.030 . 1 . . . . 49 GLN HG3 . 11121 1 504 . 1 1 49 49 GLN C C 13 175.200 0.300 . 1 . . . . 49 GLN C . 11121 1 505 . 1 1 49 49 GLN CA C 13 56.097 0.300 . 1 . . . . 49 GLN CA . 11121 1 506 . 1 1 49 49 GLN CB C 13 30.632 0.300 . 1 . . . . 49 GLN CB . 11121 1 507 . 1 1 49 49 GLN CG C 13 33.804 0.300 . 1 . . . . 49 GLN CG . 11121 1 508 . 1 1 49 49 GLN N N 15 126.092 0.300 . 1 . . . . 49 GLN N . 11121 1 509 . 1 1 49 49 GLN NE2 N 15 111.894 0.300 . 1 . . . . 49 GLN NE2 . 11121 1 510 . 1 1 50 50 ASN H H 1 7.372 0.030 . 1 . . . . 50 ASN H . 11121 1 511 . 1 1 50 50 ASN HA H 1 4.566 0.030 . 1 . . . . 50 ASN HA . 11121 1 512 . 1 1 50 50 ASN HB2 H 1 2.634 0.030 . 2 . . . . 50 ASN HB2 . 11121 1 513 . 1 1 50 50 ASN HB3 H 1 2.337 0.030 . 2 . . . . 50 ASN HB3 . 11121 1 514 . 1 1 50 50 ASN HD21 H 1 6.426 0.030 . 2 . . . . 50 ASN HD21 . 11121 1 515 . 1 1 50 50 ASN HD22 H 1 6.283 0.030 . 2 . . . . 50 ASN HD22 . 11121 1 516 . 1 1 50 50 ASN C C 13 171.237 0.300 . 1 . . . . 50 ASN C . 11121 1 517 . 1 1 50 50 ASN CA C 13 53.470 0.300 . 1 . . . . 50 ASN CA . 11121 1 518 . 1 1 50 50 ASN CB C 13 41.115 0.300 . 1 . . . . 50 ASN CB . 11121 1 519 . 1 1 50 50 ASN N N 15 113.510 0.300 . 1 . . . . 50 ASN N . 11121 1 520 . 1 1 50 50 ASN ND2 N 15 111.795 0.300 . 1 . . . . 50 ASN ND2 . 11121 1 521 . 1 1 51 51 TYR H H 1 8.703 0.030 . 1 . . . . 51 TYR H . 11121 1 522 . 1 1 51 51 TYR HA H 1 5.254 0.030 . 1 . . . . 51 TYR HA . 11121 1 523 . 1 1 51 51 TYR HB2 H 1 3.153 0.030 . 2 . . . . 51 TYR HB2 . 11121 1 524 . 1 1 51 51 TYR HB3 H 1 2.500 0.030 . 2 . . . . 51 TYR HB3 . 11121 1 525 . 1 1 51 51 TYR HD1 H 1 7.085 0.030 . 1 . . . . 51 TYR HD1 . 11121 1 526 . 1 1 51 51 TYR HD2 H 1 7.085 0.030 . 1 . . . . 51 TYR HD2 . 11121 1 527 . 1 1 51 51 TYR HE1 H 1 6.514 0.030 . 1 . . . . 51 TYR HE1 . 11121 1 528 . 1 1 51 51 TYR HE2 H 1 6.514 0.030 . 1 . . . . 51 TYR HE2 . 11121 1 529 . 1 1 51 51 TYR C C 13 174.281 0.300 . 1 . . . . 51 TYR C . 11121 1 530 . 1 1 51 51 TYR CA C 13 57.286 0.300 . 1 . . . . 51 TYR CA . 11121 1 531 . 1 1 51 51 TYR CB C 13 40.605 0.300 . 1 . . . . 51 TYR CB . 11121 1 532 . 1 1 51 51 TYR N N 15 119.155 0.300 . 1 . . . . 51 TYR N . 11121 1 533 . 1 1 52 52 LYS H H 1 9.625 0.030 . 1 . . . . 52 LYS H . 11121 1 534 . 1 1 52 52 LYS HA H 1 4.963 0.030 . 1 . . . . 52 LYS HA . 11121 1 535 . 1 1 52 52 LYS HB2 H 1 1.626 0.030 . 2 . . . . 52 LYS HB2 . 11121 1 536 . 1 1 52 52 LYS HB3 H 1 1.479 0.030 . 2 . . . . 52 LYS HB3 . 11121 1 537 . 1 1 52 52 LYS HD2 H 1 1.284 0.030 . 2 . . . . 52 LYS HD2 . 11121 1 538 . 1 1 52 52 LYS HD3 H 1 1.559 0.030 . 2 . . . . 52 LYS HD3 . 11121 1 539 . 1 1 52 52 LYS HE2 H 1 2.838 0.030 . 2 . . . . 52 LYS HE2 . 11121 1 540 . 1 1 52 52 LYS HE3 H 1 2.636 0.030 . 2 . . . . 52 LYS HE3 . 11121 1 541 . 1 1 52 52 LYS HG2 H 1 0.993 0.030 . 2 . . . . 52 LYS HG2 . 11121 1 542 . 1 1 52 52 LYS HG3 H 1 0.810 0.030 . 2 . . . . 52 LYS HG3 . 11121 1 543 . 1 1 52 52 LYS C C 13 173.623 0.300 . 1 . . . . 52 LYS C . 11121 1 544 . 1 1 52 52 LYS CA C 13 55.760 0.300 . 1 . . . . 52 LYS CA . 11121 1 545 . 1 1 52 52 LYS CB C 13 35.161 0.300 . 1 . . . . 52 LYS CB . 11121 1 546 . 1 1 52 52 LYS CD C 13 29.245 0.300 . 1 . . . . 52 LYS CD . 11121 1 547 . 1 1 52 52 LYS CE C 13 40.224 0.300 . 1 . . . . 52 LYS CE . 11121 1 548 . 1 1 52 52 LYS CG C 13 24.637 0.300 . 1 . . . . 52 LYS CG . 11121 1 549 . 1 1 52 52 LYS N N 15 122.953 0.300 . 1 . . . . 52 LYS N . 11121 1 550 . 1 1 53 53 LEU H H 1 8.761 0.030 . 1 . . . . 53 LEU H . 11121 1 551 . 1 1 53 53 LEU HA H 1 4.802 0.030 . 1 . . . . 53 LEU HA . 11121 1 552 . 1 1 53 53 LEU HB2 H 1 1.797 0.030 . 2 . . . . 53 LEU HB2 . 11121 1 553 . 1 1 53 53 LEU HB3 H 1 0.902 0.030 . 2 . . . . 53 LEU HB3 . 11121 1 554 . 1 1 53 53 LEU HD11 H 1 1.016 0.030 . 1 . . . . 53 LEU HD1 . 11121 1 555 . 1 1 53 53 LEU HD12 H 1 1.016 0.030 . 1 . . . . 53 LEU HD1 . 11121 1 556 . 1 1 53 53 LEU HD13 H 1 1.016 0.030 . 1 . . . . 53 LEU HD1 . 11121 1 557 . 1 1 53 53 LEU HD21 H 1 0.888 0.030 . 1 . . . . 53 LEU HD2 . 11121 1 558 . 1 1 53 53 LEU HD22 H 1 0.888 0.030 . 1 . . . . 53 LEU HD2 . 11121 1 559 . 1 1 53 53 LEU HD23 H 1 0.888 0.030 . 1 . . . . 53 LEU HD2 . 11121 1 560 . 1 1 53 53 LEU HG H 1 1.566 0.030 . 1 . . . . 53 LEU HG . 11121 1 561 . 1 1 53 53 LEU C C 13 174.675 0.300 . 1 . . . . 53 LEU C . 11121 1 562 . 1 1 53 53 LEU CA C 13 53.281 0.300 . 1 . . . . 53 LEU CA . 11121 1 563 . 1 1 53 53 LEU CB C 13 43.748 0.300 . 1 . . . . 53 LEU CB . 11121 1 564 . 1 1 53 53 LEU CD1 C 13 24.912 0.300 . 2 . . . . 53 LEU CD1 . 11121 1 565 . 1 1 53 53 LEU CD2 C 13 26.744 0.300 . 2 . . . . 53 LEU CD2 . 11121 1 566 . 1 1 53 53 LEU CG C 13 27.948 0.300 . 1 . . . . 53 LEU CG . 11121 1 567 . 1 1 53 53 LEU N N 15 128.814 0.300 . 1 . . . . 53 LEU N . 11121 1 568 . 1 1 54 54 TYR H H 1 9.243 0.030 . 1 . . . . 54 TYR H . 11121 1 569 . 1 1 54 54 TYR HA H 1 5.542 0.030 . 1 . . . . 54 TYR HA . 11121 1 570 . 1 1 54 54 TYR HB2 H 1 2.800 0.030 . 2 . . . . 54 TYR HB2 . 11121 1 571 . 1 1 54 54 TYR HB3 H 1 2.702 0.030 . 2 . . . . 54 TYR HB3 . 11121 1 572 . 1 1 54 54 TYR HD1 H 1 6.799 0.030 . 1 . . . . 54 TYR HD1 . 11121 1 573 . 1 1 54 54 TYR HD2 H 1 6.799 0.030 . 1 . . . . 54 TYR HD2 . 11121 1 574 . 1 1 54 54 TYR HE1 H 1 6.608 0.030 . 1 . . . . 54 TYR HE1 . 11121 1 575 . 1 1 54 54 TYR HE2 H 1 6.608 0.030 . 1 . . . . 54 TYR HE2 . 11121 1 576 . 1 1 54 54 TYR C C 13 176.424 0.300 . 1 . . . . 54 TYR C . 11121 1 577 . 1 1 54 54 TYR CA C 13 56.517 0.300 . 1 . . . . 54 TYR CA . 11121 1 578 . 1 1 54 54 TYR CB C 13 41.306 0.300 . 1 . . . . 54 TYR CB . 11121 1 579 . 1 1 54 54 TYR CD1 C 13 133.620 0.300 . 1 . . . . 54 TYR CD1 . 11121 1 580 . 1 1 54 54 TYR CD2 C 13 133.620 0.300 . 1 . . . . 54 TYR CD2 . 11121 1 581 . 1 1 54 54 TYR CE1 C 13 117.500 0.300 . 1 . . . . 54 TYR CE1 . 11121 1 582 . 1 1 54 54 TYR CE2 C 13 117.500 0.300 . 1 . . . . 54 TYR CE2 . 11121 1 583 . 1 1 54 54 TYR N N 15 125.314 0.300 . 1 . . . . 54 TYR N . 11121 1 584 . 1 1 55 55 TYR H H 1 9.056 0.030 . 1 . . . . 55 TYR H . 11121 1 585 . 1 1 55 55 TYR HA H 1 5.844 0.030 . 1 . . . . 55 TYR HA . 11121 1 586 . 1 1 55 55 TYR HB2 H 1 2.941 0.030 . 2 . . . . 55 TYR HB2 . 11121 1 587 . 1 1 55 55 TYR HB3 H 1 2.292 0.030 . 2 . . . . 55 TYR HB3 . 11121 1 588 . 1 1 55 55 TYR HD1 H 1 6.742 0.030 . 1 . . . . 55 TYR HD1 . 11121 1 589 . 1 1 55 55 TYR HD2 H 1 6.742 0.030 . 1 . . . . 55 TYR HD2 . 11121 1 590 . 1 1 55 55 TYR HE1 H 1 6.551 0.030 . 1 . . . . 55 TYR HE1 . 11121 1 591 . 1 1 55 55 TYR HE2 H 1 6.551 0.030 . 1 . . . . 55 TYR HE2 . 11121 1 592 . 1 1 55 55 TYR C C 13 174.088 0.300 . 1 . . . . 55 TYR C . 11121 1 593 . 1 1 55 55 TYR CA C 13 54.968 0.300 . 1 . . . . 55 TYR CA . 11121 1 594 . 1 1 55 55 TYR CB C 13 44.256 0.300 . 1 . . . . 55 TYR CB . 11121 1 595 . 1 1 55 55 TYR CD1 C 13 133.071 0.300 . 1 . . . . 55 TYR CD1 . 11121 1 596 . 1 1 55 55 TYR CD2 C 13 133.071 0.300 . 1 . . . . 55 TYR CD2 . 11121 1 597 . 1 1 55 55 TYR CE1 C 13 118.086 0.300 . 1 . . . . 55 TYR CE1 . 11121 1 598 . 1 1 55 55 TYR CE2 C 13 118.086 0.300 . 1 . . . . 55 TYR CE2 . 11121 1 599 . 1 1 55 55 TYR N N 15 116.930 0.300 . 1 . . . . 55 TYR N . 11121 1 600 . 1 1 56 56 MET H H 1 8.499 0.030 . 1 . . . . 56 MET H . 11121 1 601 . 1 1 56 56 MET HA H 1 4.802 0.030 . 1 . . . . 56 MET HA . 11121 1 602 . 1 1 56 56 MET HB2 H 1 1.993 0.030 . 2 . . . . 56 MET HB2 . 11121 1 603 . 1 1 56 56 MET HB3 H 1 1.806 0.030 . 2 . . . . 56 MET HB3 . 11121 1 604 . 1 1 56 56 MET HE1 H 1 1.861 0.030 . 1 . . . . 56 MET HE . 11121 1 605 . 1 1 56 56 MET HE2 H 1 1.861 0.030 . 1 . . . . 56 MET HE . 11121 1 606 . 1 1 56 56 MET HE3 H 1 1.861 0.030 . 1 . . . . 56 MET HE . 11121 1 607 . 1 1 56 56 MET HG2 H 1 2.243 0.030 . 2 . . . . 56 MET HG2 . 11121 1 608 . 1 1 56 56 MET HG3 H 1 2.128 0.030 . 2 . . . . 56 MET HG3 . 11121 1 609 . 1 1 56 56 MET C C 13 174.462 0.300 . 1 . . . . 56 MET C . 11121 1 610 . 1 1 56 56 MET CA C 13 54.513 0.300 . 1 . . . . 56 MET CA . 11121 1 611 . 1 1 56 56 MET CB C 13 38.019 0.300 . 1 . . . . 56 MET CB . 11121 1 612 . 1 1 56 56 MET CE C 13 16.793 0.300 . 1 . . . . 56 MET CE . 11121 1 613 . 1 1 56 56 MET CG C 13 29.680 0.300 . 1 . . . . 56 MET CG . 11121 1 614 . 1 1 56 56 MET N N 15 117.844 0.300 . 1 . . . . 56 MET N . 11121 1 615 . 1 1 57 57 GLU H H 1 9.078 0.030 . 1 . . . . 57 GLU H . 11121 1 616 . 1 1 57 57 GLU HA H 1 3.697 0.030 . 1 . . . . 57 GLU HA . 11121 1 617 . 1 1 57 57 GLU HB2 H 1 1.860 0.030 . 1 . . . . 57 GLU HB2 . 11121 1 618 . 1 1 57 57 GLU HB3 H 1 1.860 0.030 . 1 . . . . 57 GLU HB3 . 11121 1 619 . 1 1 57 57 GLU HG2 H 1 1.944 0.030 . 2 . . . . 57 GLU HG2 . 11121 1 620 . 1 1 57 57 GLU HG3 H 1 1.728 0.030 . 2 . . . . 57 GLU HG3 . 11121 1 621 . 1 1 57 57 GLU C C 13 176.657 0.300 . 1 . . . . 57 GLU C . 11121 1 622 . 1 1 57 57 GLU CA C 13 56.069 0.300 . 1 . . . . 57 GLU CA . 11121 1 623 . 1 1 57 57 GLU CB C 13 29.369 0.300 . 1 . . . . 57 GLU CB . 11121 1 624 . 1 1 57 57 GLU CG C 13 34.787 0.300 . 1 . . . . 57 GLU CG . 11121 1 625 . 1 1 57 57 GLU N N 15 127.356 0.300 . 1 . . . . 57 GLU N . 11121 1 626 . 1 1 58 58 LYS H H 1 8.526 0.030 . 1 . . . . 58 LYS H . 11121 1 627 . 1 1 58 58 LYS HA H 1 3.907 0.030 . 1 . . . . 58 LYS HA . 11121 1 628 . 1 1 58 58 LYS HB2 H 1 1.644 0.030 . 2 . . . . 58 LYS HB2 . 11121 1 629 . 1 1 58 58 LYS HB3 H 1 1.413 0.030 . 2 . . . . 58 LYS HB3 . 11121 1 630 . 1 1 58 58 LYS HD2 H 1 1.499 0.030 . 2 . . . . 58 LYS HD2 . 11121 1 631 . 1 1 58 58 LYS HE2 H 1 2.880 0.030 . 2 . . . . 58 LYS HE2 . 11121 1 632 . 1 1 58 58 LYS HG2 H 1 1.308 0.030 . 2 . . . . 58 LYS HG2 . 11121 1 633 . 1 1 58 58 LYS HG3 H 1 1.238 0.030 . 2 . . . . 58 LYS HG3 . 11121 1 634 . 1 1 58 58 LYS C C 13 177.222 0.300 . 1 . . . . 58 LYS C . 11121 1 635 . 1 1 58 58 LYS CA C 13 58.651 0.300 . 1 . . . . 58 LYS CA . 11121 1 636 . 1 1 58 58 LYS CB C 13 32.240 0.300 . 1 . . . . 58 LYS CB . 11121 1 637 . 1 1 58 58 LYS CD C 13 29.117 0.300 . 1 . . . . 58 LYS CD . 11121 1 638 . 1 1 58 58 LYS CE C 13 41.953 0.300 . 1 . . . . 58 LYS CE . 11121 1 639 . 1 1 58 58 LYS CG C 13 24.866 0.300 . 1 . . . . 58 LYS CG . 11121 1 640 . 1 1 58 58 LYS N N 15 131.941 0.300 . 1 . . . . 58 LYS N . 11121 1 641 . 1 1 59 59 GLY H H 1 8.943 0.030 . 1 . . . . 59 GLY H . 11121 1 642 . 1 1 59 59 GLY HA2 H 1 4.270 0.030 . 2 . . . . 59 GLY HA2 . 11121 1 643 . 1 1 59 59 GLY HA3 H 1 3.690 0.030 . 2 . . . . 59 GLY HA3 . 11121 1 644 . 1 1 59 59 GLY C C 13 174.857 0.300 . 1 . . . . 59 GLY C . 11121 1 645 . 1 1 59 59 GLY CA C 13 45.107 0.300 . 1 . . . . 59 GLY CA . 11121 1 646 . 1 1 59 59 GLY N N 15 113.739 0.300 . 1 . . . . 59 GLY N . 11121 1 647 . 1 1 60 60 THR H H 1 7.635 0.030 . 1 . . . . 60 THR H . 11121 1 648 . 1 1 60 60 THR HA H 1 4.604 0.030 . 1 . . . . 60 THR HA . 11121 1 649 . 1 1 60 60 THR HB H 1 4.352 0.030 . 1 . . . . 60 THR HB . 11121 1 650 . 1 1 60 60 THR HG21 H 1 1.065 0.030 . 1 . . . . 60 THR HG2 . 11121 1 651 . 1 1 60 60 THR HG22 H 1 1.065 0.030 . 1 . . . . 60 THR HG2 . 11121 1 652 . 1 1 60 60 THR HG23 H 1 1.065 0.030 . 1 . . . . 60 THR HG2 . 11121 1 653 . 1 1 60 60 THR C C 13 173.856 0.300 . 1 . . . . 60 THR C . 11121 1 654 . 1 1 60 60 THR CA C 13 61.556 0.300 . 1 . . . . 60 THR CA . 11121 1 655 . 1 1 60 60 THR CB C 13 71.330 0.300 . 1 . . . . 60 THR CB . 11121 1 656 . 1 1 60 60 THR CG2 C 13 21.310 0.300 . 1 . . . . 60 THR CG2 . 11121 1 657 . 1 1 60 60 THR N N 15 109.804 0.300 . 1 . . . . 60 THR N . 11121 1 658 . 1 1 61 61 ASP H H 1 8.166 0.030 . 1 . . . . 61 ASP H . 11121 1 659 . 1 1 61 61 ASP HA H 1 4.643 0.030 . 1 . . . . 61 ASP HA . 11121 1 660 . 1 1 61 61 ASP HB2 H 1 2.729 0.030 . 2 . . . . 61 ASP HB2 . 11121 1 661 . 1 1 61 61 ASP HB3 H 1 2.691 0.030 . 2 . . . . 61 ASP HB3 . 11121 1 662 . 1 1 61 61 ASP C C 13 175.626 0.300 . 1 . . . . 61 ASP C . 11121 1 663 . 1 1 61 61 ASP CA C 13 54.366 0.300 . 1 . . . . 61 ASP CA . 11121 1 664 . 1 1 61 61 ASP CB C 13 41.013 0.300 . 1 . . . . 61 ASP CB . 11121 1 665 . 1 1 61 61 ASP N N 15 116.421 0.300 . 1 . . . . 61 ASP N . 11121 1 666 . 1 1 62 62 LYS H H 1 7.272 0.030 . 1 . . . . 62 LYS H . 11121 1 667 . 1 1 62 62 LYS HA H 1 4.543 0.030 . 1 . . . . 62 LYS HA . 11121 1 668 . 1 1 62 62 LYS HB2 H 1 1.763 0.030 . 2 . . . . 62 LYS HB2 . 11121 1 669 . 1 1 62 62 LYS HB3 H 1 1.671 0.030 . 2 . . . . 62 LYS HB3 . 11121 1 670 . 1 1 62 62 LYS HD2 H 1 1.667 0.030 . 2 . . . . 62 LYS HD2 . 11121 1 671 . 1 1 62 62 LYS HE2 H 1 2.975 0.030 . 2 . . . . 62 LYS HE2 . 11121 1 672 . 1 1 62 62 LYS HG2 H 1 1.376 0.030 . 2 . . . . 62 LYS HG2 . 11121 1 673 . 1 1 62 62 LYS HG3 H 1 1.305 0.030 . 2 . . . . 62 LYS HG3 . 11121 1 674 . 1 1 62 62 LYS C C 13 174.321 0.300 . 1 . . . . 62 LYS C . 11121 1 675 . 1 1 62 62 LYS CA C 13 54.968 0.300 . 1 . . . . 62 LYS CA . 11121 1 676 . 1 1 62 62 LYS CB C 13 33.676 0.300 . 1 . . . . 62 LYS CB . 11121 1 677 . 1 1 62 62 LYS CD C 13 29.030 0.300 . 1 . . . . 62 LYS CD . 11121 1 678 . 1 1 62 62 LYS CE C 13 42.217 0.300 . 1 . . . . 62 LYS CE . 11121 1 679 . 1 1 62 62 LYS CG C 13 24.462 0.300 . 1 . . . . 62 LYS CG . 11121 1 680 . 1 1 62 62 LYS N N 15 119.406 0.300 . 1 . . . . 62 LYS N . 11121 1 681 . 1 1 63 63 GLU H H 1 8.645 0.030 . 1 . . . . 63 GLU H . 11121 1 682 . 1 1 63 63 GLU HA H 1 4.516 0.030 . 1 . . . . 63 GLU HA . 11121 1 683 . 1 1 63 63 GLU HB2 H 1 2.054 0.030 . 2 . . . . 63 GLU HB2 . 11121 1 684 . 1 1 63 63 GLU HB3 H 1 1.861 0.030 . 2 . . . . 63 GLU HB3 . 11121 1 685 . 1 1 63 63 GLU HG2 H 1 2.266 0.030 . 2 . . . . 63 GLU HG2 . 11121 1 686 . 1 1 63 63 GLU HG3 H 1 2.118 0.030 . 2 . . . . 63 GLU HG3 . 11121 1 687 . 1 1 63 63 GLU C C 13 176.029 0.300 . 1 . . . . 63 GLU C . 11121 1 688 . 1 1 63 63 GLU CA C 13 55.789 0.300 . 1 . . . . 63 GLU CA . 11121 1 689 . 1 1 63 63 GLU CB C 13 32.035 0.300 . 1 . . . . 63 GLU CB . 11121 1 690 . 1 1 63 63 GLU CG C 13 38.578 0.300 . 1 . . . . 63 GLU CG . 11121 1 691 . 1 1 63 63 GLU N N 15 126.072 0.300 . 1 . . . . 63 GLU N . 11121 1 692 . 1 1 64 64 GLN H H 1 8.562 0.030 . 1 . . . . 64 GLN H . 11121 1 693 . 1 1 64 64 GLN HA H 1 4.537 0.030 . 1 . . . . 64 GLN HA . 11121 1 694 . 1 1 64 64 GLN HB2 H 1 1.705 0.030 . 2 . . . . 64 GLN HB2 . 11121 1 695 . 1 1 64 64 GLN HB3 H 1 0.849 0.030 . 2 . . . . 64 GLN HB3 . 11121 1 696 . 1 1 64 64 GLN HE21 H 1 7.354 0.030 . 2 . . . . 64 GLN HE21 . 11121 1 697 . 1 1 64 64 GLN HE22 H 1 6.911 0.030 . 2 . . . . 64 GLN HE22 . 11121 1 698 . 1 1 64 64 GLN HG2 H 1 2.116 0.030 . 2 . . . . 64 GLN HG2 . 11121 1 699 . 1 1 64 64 GLN HG3 H 1 2.052 0.030 . 2 . . . . 64 GLN HG3 . 11121 1 700 . 1 1 64 64 GLN C C 13 173.421 0.300 . 1 . . . . 64 GLN C . 11121 1 701 . 1 1 64 64 GLN CA C 13 54.615 0.300 . 1 . . . . 64 GLN CA . 11121 1 702 . 1 1 64 64 GLN CB C 13 31.552 0.300 . 1 . . . . 64 GLN CB . 11121 1 703 . 1 1 64 64 GLN CG C 13 34.752 0.300 . 1 . . . . 64 GLN CG . 11121 1 704 . 1 1 64 64 GLN N N 15 125.217 0.300 . 1 . . . . 64 GLN N . 11121 1 705 . 1 1 64 64 GLN NE2 N 15 111.905 0.300 . 1 . . . . 64 GLN NE2 . 11121 1 706 . 1 1 65 65 ASP H H 1 8.146 0.030 . 1 . . . . 65 ASP H . 11121 1 707 . 1 1 65 65 ASP HA H 1 5.769 0.030 . 1 . . . . 65 ASP HA . 11121 1 708 . 1 1 65 65 ASP HB2 H 1 2.155 0.030 . 2 . . . . 65 ASP HB2 . 11121 1 709 . 1 1 65 65 ASP HB3 H 1 1.510 0.030 . 2 . . . . 65 ASP HB3 . 11121 1 710 . 1 1 65 65 ASP C C 13 174.927 0.300 . 1 . . . . 65 ASP C . 11121 1 711 . 1 1 65 65 ASP CA C 13 52.801 0.300 . 1 . . . . 65 ASP CA . 11121 1 712 . 1 1 65 65 ASP CB C 13 45.121 0.300 . 1 . . . . 65 ASP CB . 11121 1 713 . 1 1 65 65 ASP N N 15 115.339 0.300 . 1 . . . . 65 ASP N . 11121 1 714 . 1 1 66 66 VAL H H 1 8.686 0.030 . 1 . . . . 66 VAL H . 11121 1 715 . 1 1 66 66 VAL HA H 1 4.320 0.030 . 1 . . . . 66 VAL HA . 11121 1 716 . 1 1 66 66 VAL HB H 1 1.868 0.030 . 1 . . . . 66 VAL HB . 11121 1 717 . 1 1 66 66 VAL HG11 H 1 0.721 0.030 . 1 . . . . 66 VAL HG1 . 11121 1 718 . 1 1 66 66 VAL HG12 H 1 0.721 0.030 . 1 . . . . 66 VAL HG1 . 11121 1 719 . 1 1 66 66 VAL HG13 H 1 0.721 0.030 . 1 . . . . 66 VAL HG1 . 11121 1 720 . 1 1 66 66 VAL HG21 H 1 0.681 0.030 . 1 . . . . 66 VAL HG2 . 11121 1 721 . 1 1 66 66 VAL HG22 H 1 0.681 0.030 . 1 . . . . 66 VAL HG2 . 11121 1 722 . 1 1 66 66 VAL HG23 H 1 0.681 0.030 . 1 . . . . 66 VAL HG2 . 11121 1 723 . 1 1 66 66 VAL C C 13 173.128 0.300 . 1 . . . . 66 VAL C . 11121 1 724 . 1 1 66 66 VAL CA C 13 60.353 0.300 . 1 . . . . 66 VAL CA . 11121 1 725 . 1 1 66 66 VAL CB C 13 35.692 0.300 . 1 . . . . 66 VAL CB . 11121 1 726 . 1 1 66 66 VAL CG1 C 13 20.243 0.300 . 2 . . . . 66 VAL CG1 . 11121 1 727 . 1 1 66 66 VAL CG2 C 13 20.544 0.300 . 2 . . . . 66 VAL CG2 . 11121 1 728 . 1 1 66 66 VAL N N 15 118.117 0.300 . 1 . . . . 66 VAL N . 11121 1 729 . 1 1 67 67 ASP H H 1 8.052 0.030 . 1 . . . . 67 ASP H . 11121 1 730 . 1 1 67 67 ASP HA H 1 5.322 0.030 . 1 . . . . 67 ASP HA . 11121 1 731 . 1 1 67 67 ASP HB2 H 1 2.650 0.030 . 2 . . . . 67 ASP HB2 . 11121 1 732 . 1 1 67 67 ASP HB3 H 1 2.398 0.030 . 2 . . . . 67 ASP HB3 . 11121 1 733 . 1 1 67 67 ASP C C 13 175.818 0.300 . 1 . . . . 67 ASP C . 11121 1 734 . 1 1 67 67 ASP CA C 13 54.335 0.300 . 1 . . . . 67 ASP CA . 11121 1 735 . 1 1 67 67 ASP CB C 13 41.781 0.300 . 1 . . . . 67 ASP CB . 11121 1 736 . 1 1 67 67 ASP N N 15 124.993 0.300 . 1 . . . . 67 ASP N . 11121 1 737 . 1 1 68 68 VAL H H 1 9.383 0.030 . 1 . . . . 68 VAL H . 11121 1 738 . 1 1 68 68 VAL HA H 1 4.445 0.030 . 1 . . . . 68 VAL HA . 11121 1 739 . 1 1 68 68 VAL HB H 1 2.231 0.030 . 1 . . . . 68 VAL HB . 11121 1 740 . 1 1 68 68 VAL HG11 H 1 1.144 0.030 . 1 . . . . 68 VAL HG1 . 11121 1 741 . 1 1 68 68 VAL HG12 H 1 1.144 0.030 . 1 . . . . 68 VAL HG1 . 11121 1 742 . 1 1 68 68 VAL HG13 H 1 1.144 0.030 . 1 . . . . 68 VAL HG1 . 11121 1 743 . 1 1 68 68 VAL HG21 H 1 0.804 0.030 . 1 . . . . 68 VAL HG2 . 11121 1 744 . 1 1 68 68 VAL HG22 H 1 0.804 0.030 . 1 . . . . 68 VAL HG2 . 11121 1 745 . 1 1 68 68 VAL HG23 H 1 0.804 0.030 . 1 . . . . 68 VAL HG2 . 11121 1 746 . 1 1 68 68 VAL C C 13 175.049 0.300 . 1 . . . . 68 VAL C . 11121 1 747 . 1 1 68 68 VAL CA C 13 61.604 0.300 . 1 . . . . 68 VAL CA . 11121 1 748 . 1 1 68 68 VAL CB C 13 35.956 0.300 . 1 . . . . 68 VAL CB . 11121 1 749 . 1 1 68 68 VAL CG1 C 13 22.274 0.300 . 2 . . . . 68 VAL CG1 . 11121 1 750 . 1 1 68 68 VAL CG2 C 13 21.601 0.300 . 2 . . . . 68 VAL CG2 . 11121 1 751 . 1 1 68 68 VAL N N 15 123.636 0.300 . 1 . . . . 68 VAL N . 11121 1 752 . 1 1 69 69 SER H H 1 8.883 0.030 . 1 . . . . 69 SER H . 11121 1 753 . 1 1 69 69 SER HA H 1 4.950 0.030 . 1 . . . . 69 SER HA . 11121 1 754 . 1 1 69 69 SER HB2 H 1 4.046 0.030 . 1 . . . . 69 SER HB2 . 11121 1 755 . 1 1 69 69 SER HB3 H 1 4.046 0.030 . 1 . . . . 69 SER HB3 . 11121 1 756 . 1 1 69 69 SER C C 13 174.517 0.300 . 1 . . . . 69 SER C . 11121 1 757 . 1 1 69 69 SER CA C 13 58.328 0.300 . 1 . . . . 69 SER CA . 11121 1 758 . 1 1 69 69 SER CB C 13 63.779 0.300 . 1 . . . . 69 SER CB . 11121 1 759 . 1 1 69 69 SER N N 15 120.672 0.300 . 1 . . . . 69 SER N . 11121 1 760 . 1 1 70 70 SER H H 1 7.416 0.030 . 1 . . . . 70 SER H . 11121 1 761 . 1 1 70 70 SER HA H 1 4.607 0.030 . 1 . . . . 70 SER HA . 11121 1 762 . 1 1 70 70 SER HB2 H 1 4.156 0.030 . 2 . . . . 70 SER HB2 . 11121 1 763 . 1 1 70 70 SER HB3 H 1 3.942 0.030 . 2 . . . . 70 SER HB3 . 11121 1 764 . 1 1 70 70 SER C C 13 170.267 0.300 . 1 . . . . 70 SER C . 11121 1 765 . 1 1 70 70 SER CA C 13 56.936 0.300 . 1 . . . . 70 SER CA . 11121 1 766 . 1 1 70 70 SER CB C 13 63.613 0.300 . 1 . . . . 70 SER CB . 11121 1 767 . 1 1 70 70 SER N N 15 116.836 0.300 . 1 . . . . 70 SER N . 11121 1 768 . 1 1 71 71 HIS H H 1 7.477 0.030 . 1 . . . . 71 HIS H . 11121 1 769 . 1 1 71 71 HIS HA H 1 3.473 0.030 . 1 . . . . 71 HIS HA . 11121 1 770 . 1 1 71 71 HIS HB2 H 1 2.298 0.030 . 2 . . . . 71 HIS HB2 . 11121 1 771 . 1 1 71 71 HIS HB3 H 1 3.431 0.030 . 2 . . . . 71 HIS HB3 . 11121 1 772 . 1 1 71 71 HIS HD2 H 1 6.515 0.030 . 1 . . . . 71 HIS HD2 . 11121 1 773 . 1 1 71 71 HIS HE1 H 1 8.126 0.030 . 1 . . . . 71 HIS HE1 . 11121 1 774 . 1 1 71 71 HIS C C 13 172.400 0.300 . 1 . . . . 71 HIS C . 11121 1 775 . 1 1 71 71 HIS CA C 13 55.413 0.300 . 1 . . . . 71 HIS CA . 11121 1 776 . 1 1 71 71 HIS CB C 13 28.574 0.300 . 1 . . . . 71 HIS CB . 11121 1 777 . 1 1 71 71 HIS CD2 C 13 120.493 0.300 . 1 . . . . 71 HIS CD2 . 11121 1 778 . 1 1 71 71 HIS CE1 C 13 137.772 0.300 . 1 . . . . 71 HIS CE1 . 11121 1 779 . 1 1 71 71 HIS N N 15 112.253 0.300 . 1 . . . . 71 HIS N . 11121 1 780 . 1 1 72 72 SER H H 1 6.803 0.030 . 1 . . . . 72 SER H . 11121 1 781 . 1 1 72 72 SER HA H 1 4.749 0.030 . 1 . . . . 72 SER HA . 11121 1 782 . 1 1 72 72 SER HB2 H 1 3.454 0.030 . 2 . . . . 72 SER HB2 . 11121 1 783 . 1 1 72 72 SER HB3 H 1 3.400 0.030 . 2 . . . . 72 SER HB3 . 11121 1 784 . 1 1 72 72 SER C C 13 172.866 0.300 . 1 . . . . 72 SER C . 11121 1 785 . 1 1 72 72 SER CA C 13 56.039 0.300 . 1 . . . . 72 SER CA . 11121 1 786 . 1 1 72 72 SER CB C 13 65.672 0.300 . 1 . . . . 72 SER CB . 11121 1 787 . 1 1 72 72 SER N N 15 108.739 0.300 . 1 . . . . 72 SER N . 11121 1 788 . 1 1 73 73 TYR H H 1 8.989 0.030 . 1 . . . . 73 TYR H . 11121 1 789 . 1 1 73 73 TYR HA H 1 4.390 0.030 . 1 . . . . 73 TYR HA . 11121 1 790 . 1 1 73 73 TYR HB2 H 1 3.162 0.030 . 2 . . . . 73 TYR HB2 . 11121 1 791 . 1 1 73 73 TYR HB3 H 1 2.530 0.030 . 2 . . . . 73 TYR HB3 . 11121 1 792 . 1 1 73 73 TYR HD1 H 1 6.950 0.030 . 1 . . . . 73 TYR HD1 . 11121 1 793 . 1 1 73 73 TYR HD2 H 1 6.950 0.030 . 1 . . . . 73 TYR HD2 . 11121 1 794 . 1 1 73 73 TYR HE1 H 1 6.784 0.030 . 1 . . . . 73 TYR HE1 . 11121 1 795 . 1 1 73 73 TYR HE2 H 1 6.784 0.030 . 1 . . . . 73 TYR HE2 . 11121 1 796 . 1 1 73 73 TYR C C 13 173.260 0.300 . 1 . . . . 73 TYR C . 11121 1 797 . 1 1 73 73 TYR CA C 13 59.414 0.300 . 1 . . . . 73 TYR CA . 11121 1 798 . 1 1 73 73 TYR CB C 13 43.719 0.300 . 1 . . . . 73 TYR CB . 11121 1 799 . 1 1 73 73 TYR CD1 C 13 133.147 0.300 . 1 . . . . 73 TYR CD1 . 11121 1 800 . 1 1 73 73 TYR CD2 C 13 133.147 0.300 . 1 . . . . 73 TYR CD2 . 11121 1 801 . 1 1 73 73 TYR CE1 C 13 118.411 0.300 . 1 . . . . 73 TYR CE1 . 11121 1 802 . 1 1 73 73 TYR CE2 C 13 118.411 0.300 . 1 . . . . 73 TYR CE2 . 11121 1 803 . 1 1 73 73 TYR N N 15 123.383 0.300 . 1 . . . . 73 TYR N . 11121 1 804 . 1 1 74 74 THR H H 1 7.355 0.030 . 1 . . . . 74 THR H . 11121 1 805 . 1 1 74 74 THR HA H 1 4.938 0.030 . 1 . . . . 74 THR HA . 11121 1 806 . 1 1 74 74 THR HB H 1 3.509 0.030 . 1 . . . . 74 THR HB . 11121 1 807 . 1 1 74 74 THR HG21 H 1 0.752 0.030 . 1 . . . . 74 THR HG2 . 11121 1 808 . 1 1 74 74 THR HG22 H 1 0.752 0.030 . 1 . . . . 74 THR HG2 . 11121 1 809 . 1 1 74 74 THR HG23 H 1 0.752 0.030 . 1 . . . . 74 THR HG2 . 11121 1 810 . 1 1 74 74 THR C C 13 171.743 0.300 . 1 . . . . 74 THR C . 11121 1 811 . 1 1 74 74 THR CA C 13 61.645 0.300 . 1 . . . . 74 THR CA . 11121 1 812 . 1 1 74 74 THR CB C 13 70.179 0.300 . 1 . . . . 74 THR CB . 11121 1 813 . 1 1 74 74 THR CG2 C 13 20.648 0.300 . 1 . . . . 74 THR CG2 . 11121 1 814 . 1 1 74 74 THR N N 15 123.554 0.300 . 1 . . . . 74 THR N . 11121 1 815 . 1 1 75 75 ILE H H 1 8.833 0.030 . 1 . . . . 75 ILE H . 11121 1 816 . 1 1 75 75 ILE HA H 1 4.024 0.030 . 1 . . . . 75 ILE HA . 11121 1 817 . 1 1 75 75 ILE HB H 1 1.460 0.030 . 1 . . . . 75 ILE HB . 11121 1 818 . 1 1 75 75 ILE HD11 H 1 0.526 0.030 . 1 . . . . 75 ILE HD1 . 11121 1 819 . 1 1 75 75 ILE HD12 H 1 0.526 0.030 . 1 . . . . 75 ILE HD1 . 11121 1 820 . 1 1 75 75 ILE HD13 H 1 0.526 0.030 . 1 . . . . 75 ILE HD1 . 11121 1 821 . 1 1 75 75 ILE HG12 H 1 1.367 0.030 . 2 . . . . 75 ILE HG12 . 11121 1 822 . 1 1 75 75 ILE HG13 H 1 0.880 0.030 . 2 . . . . 75 ILE HG13 . 11121 1 823 . 1 1 75 75 ILE HG21 H 1 0.589 0.030 . 1 . . . . 75 ILE HG2 . 11121 1 824 . 1 1 75 75 ILE HG22 H 1 0.589 0.030 . 1 . . . . 75 ILE HG2 . 11121 1 825 . 1 1 75 75 ILE HG23 H 1 0.589 0.030 . 1 . . . . 75 ILE HG2 . 11121 1 826 . 1 1 75 75 ILE C C 13 173.836 0.300 . 1 . . . . 75 ILE C . 11121 1 827 . 1 1 75 75 ILE CA C 13 60.028 0.300 . 1 . . . . 75 ILE CA . 11121 1 828 . 1 1 75 75 ILE CB C 13 39.420 0.300 . 1 . . . . 75 ILE CB . 11121 1 829 . 1 1 75 75 ILE CD1 C 13 14.929 0.300 . 1 . . . . 75 ILE CD1 . 11121 1 830 . 1 1 75 75 ILE CG1 C 13 28.424 0.300 . 1 . . . . 75 ILE CG1 . 11121 1 831 . 1 1 75 75 ILE CG2 C 13 18.766 0.300 . 1 . . . . 75 ILE CG2 . 11121 1 832 . 1 1 75 75 ILE N N 15 127.942 0.300 . 1 . . . . 75 ILE N . 11121 1 833 . 1 1 76 76 ASN H H 1 8.145 0.030 . 1 . . . . 76 ASN H . 11121 1 834 . 1 1 76 76 ASN HA H 1 5.192 0.030 . 1 . . . . 76 ASN HA . 11121 1 835 . 1 1 76 76 ASN HB2 H 1 2.707 0.030 . 2 . . . . 76 ASN HB2 . 11121 1 836 . 1 1 76 76 ASN HB3 H 1 2.579 0.030 . 2 . . . . 76 ASN HB3 . 11121 1 837 . 1 1 76 76 ASN HD21 H 1 7.377 0.030 . 2 . . . . 76 ASN HD21 . 11121 1 838 . 1 1 76 76 ASN HD22 H 1 6.776 0.030 . 2 . . . . 76 ASN HD22 . 11121 1 839 . 1 1 76 76 ASN C C 13 175.099 0.300 . 1 . . . . 76 ASN C . 11121 1 840 . 1 1 76 76 ASN CA C 13 51.622 0.300 . 1 . . . . 76 ASN CA . 11121 1 841 . 1 1 76 76 ASN CB C 13 41.922 0.300 . 1 . . . . 76 ASN CB . 11121 1 842 . 1 1 76 76 ASN N N 15 124.312 0.300 . 1 . . . . 76 ASN N . 11121 1 843 . 1 1 76 76 ASN ND2 N 15 113.775 0.300 . 1 . . . . 76 ASN ND2 . 11121 1 844 . 1 1 77 77 GLY H H 1 8.694 0.030 . 1 . . . . 77 GLY H . 11121 1 845 . 1 1 77 77 GLY HA2 H 1 3.937 0.030 . 2 . . . . 77 GLY HA2 . 11121 1 846 . 1 1 77 77 GLY HA3 H 1 3.841 0.030 . 2 . . . . 77 GLY HA3 . 11121 1 847 . 1 1 77 77 GLY C C 13 175.261 0.300 . 1 . . . . 77 GLY C . 11121 1 848 . 1 1 77 77 GLY CA C 13 46.353 0.300 . 1 . . . . 77 GLY CA . 11121 1 849 . 1 1 77 77 GLY N N 15 106.232 0.300 . 1 . . . . 77 GLY N . 11121 1 850 . 1 1 78 78 LEU H H 1 8.481 0.030 . 1 . . . . 78 LEU H . 11121 1 851 . 1 1 78 78 LEU HA H 1 4.269 0.030 . 1 . . . . 78 LEU HA . 11121 1 852 . 1 1 78 78 LEU HB2 H 1 1.343 0.030 . 2 . . . . 78 LEU HB2 . 11121 1 853 . 1 1 78 78 LEU HB3 H 1 1.062 0.030 . 2 . . . . 78 LEU HB3 . 11121 1 854 . 1 1 78 78 LEU HD11 H 1 -0.001 0.030 . 1 . . . . 78 LEU HD1 . 11121 1 855 . 1 1 78 78 LEU HD12 H 1 -0.001 0.030 . 1 . . . . 78 LEU HD1 . 11121 1 856 . 1 1 78 78 LEU HD13 H 1 -0.001 0.030 . 1 . . . . 78 LEU HD1 . 11121 1 857 . 1 1 78 78 LEU HD21 H 1 0.246 0.030 . 1 . . . . 78 LEU HD2 . 11121 1 858 . 1 1 78 78 LEU HD22 H 1 0.246 0.030 . 1 . . . . 78 LEU HD2 . 11121 1 859 . 1 1 78 78 LEU HD23 H 1 0.246 0.030 . 1 . . . . 78 LEU HD2 . 11121 1 860 . 1 1 78 78 LEU HG H 1 1.085 0.030 . 1 . . . . 78 LEU HG . 11121 1 861 . 1 1 78 78 LEU C C 13 175.706 0.300 . 1 . . . . 78 LEU C . 11121 1 862 . 1 1 78 78 LEU CA C 13 53.413 0.300 . 1 . . . . 78 LEU CA . 11121 1 863 . 1 1 78 78 LEU CB C 13 41.163 0.300 . 1 . . . . 78 LEU CB . 11121 1 864 . 1 1 78 78 LEU CD1 C 13 25.187 0.300 . 2 . . . . 78 LEU CD1 . 11121 1 865 . 1 1 78 78 LEU CD2 C 13 19.573 0.300 . 2 . . . . 78 LEU CD2 . 11121 1 866 . 1 1 78 78 LEU CG C 13 25.874 0.300 . 1 . . . . 78 LEU CG . 11121 1 867 . 1 1 78 78 LEU N N 15 119.431 0.300 . 1 . . . . 78 LEU N . 11121 1 868 . 1 1 79 79 LYS H H 1 8.086 0.030 . 1 . . . . 79 LYS H . 11121 1 869 . 1 1 79 79 LYS HA H 1 4.263 0.030 . 1 . . . . 79 LYS HA . 11121 1 870 . 1 1 79 79 LYS HB2 H 1 1.886 0.030 . 2 . . . . 79 LYS HB2 . 11121 1 871 . 1 1 79 79 LYS HB3 H 1 1.753 0.030 . 2 . . . . 79 LYS HB3 . 11121 1 872 . 1 1 79 79 LYS HE2 H 1 3.017 0.030 . 2 . . . . 79 LYS HE2 . 11121 1 873 . 1 1 79 79 LYS HG2 H 1 1.471 0.030 . 2 . . . . 79 LYS HG2 . 11121 1 874 . 1 1 79 79 LYS HG3 H 1 1.627 0.030 . 2 . . . . 79 LYS HG3 . 11121 1 875 . 1 1 79 79 LYS C C 13 176.727 0.300 . 1 . . . . 79 LYS C . 11121 1 876 . 1 1 79 79 LYS CA C 13 56.347 0.300 . 1 . . . . 79 LYS CA . 11121 1 877 . 1 1 79 79 LYS CB C 13 34.633 0.300 . 1 . . . . 79 LYS CB . 11121 1 878 . 1 1 79 79 LYS CD C 13 30.063 0.300 . 1 . . . . 79 LYS CD . 11121 1 879 . 1 1 79 79 LYS CE C 13 42.286 0.300 . 1 . . . . 79 LYS CE . 11121 1 880 . 1 1 79 79 LYS CG C 13 26.011 0.300 . 1 . . . . 79 LYS CG . 11121 1 881 . 1 1 79 79 LYS N N 15 118.590 0.300 . 1 . . . . 79 LYS N . 11121 1 882 . 1 1 80 80 LYS H H 1 8.187 0.030 . 1 . . . . 80 LYS H . 11121 1 883 . 1 1 80 80 LYS HA H 1 5.164 0.030 . 1 . . . . 80 LYS HA . 11121 1 884 . 1 1 80 80 LYS HB2 H 1 1.791 0.030 . 1 . . . . 80 LYS HB2 . 11121 1 885 . 1 1 80 80 LYS HB3 H 1 1.791 0.030 . 1 . . . . 80 LYS HB3 . 11121 1 886 . 1 1 80 80 LYS HD2 H 1 1.694 0.030 . 1 . . . . 80 LYS HD2 . 11121 1 887 . 1 1 80 80 LYS HD3 H 1 1.694 0.030 . 1 . . . . 80 LYS HD3 . 11121 1 888 . 1 1 80 80 LYS HE2 H 1 2.984 0.030 . 2 . . . . 80 LYS HE2 . 11121 1 889 . 1 1 80 80 LYS HG2 H 1 1.545 0.030 . 2 . . . . 80 LYS HG2 . 11121 1 890 . 1 1 80 80 LYS HG3 H 1 1.393 0.030 . 2 . . . . 80 LYS HG3 . 11121 1 891 . 1 1 80 80 LYS C C 13 177.668 0.300 . 1 . . . . 80 LYS C . 11121 1 892 . 1 1 80 80 LYS CA C 13 56.606 0.300 . 1 . . . . 80 LYS CA . 11121 1 893 . 1 1 80 80 LYS CB C 13 33.373 0.300 . 1 . . . . 80 LYS CB . 11121 1 894 . 1 1 80 80 LYS CD C 13 29.978 0.300 . 1 . . . . 80 LYS CD . 11121 1 895 . 1 1 80 80 LYS CE C 13 42.080 0.300 . 1 . . . . 80 LYS CE . 11121 1 896 . 1 1 80 80 LYS CG C 13 25.309 0.300 . 1 . . . . 80 LYS CG . 11121 1 897 . 1 1 80 80 LYS N N 15 119.973 0.300 . 1 . . . . 80 LYS N . 11121 1 898 . 1 1 81 81 TYR H H 1 8.101 0.030 . 1 . . . . 81 TYR H . 11121 1 899 . 1 1 81 81 TYR HA H 1 4.224 0.030 . 1 . . . . 81 TYR HA . 11121 1 900 . 1 1 81 81 TYR HB2 H 1 3.418 0.030 . 2 . . . . 81 TYR HB2 . 11121 1 901 . 1 1 81 81 TYR HB3 H 1 2.509 0.030 . 2 . . . . 81 TYR HB3 . 11121 1 902 . 1 1 81 81 TYR HD1 H 1 7.248 0.030 . 1 . . . . 81 TYR HD1 . 11121 1 903 . 1 1 81 81 TYR HD2 H 1 7.248 0.030 . 1 . . . . 81 TYR HD2 . 11121 1 904 . 1 1 81 81 TYR HE1 H 1 6.854 0.030 . 1 . . . . 81 TYR HE1 . 11121 1 905 . 1 1 81 81 TYR HE2 H 1 6.854 0.030 . 1 . . . . 81 TYR HE2 . 11121 1 906 . 1 1 81 81 TYR C C 13 174.938 0.300 . 1 . . . . 81 TYR C . 11121 1 907 . 1 1 81 81 TYR CA C 13 57.997 0.300 . 1 . . . . 81 TYR CA . 11121 1 908 . 1 1 81 81 TYR CB C 13 38.957 0.300 . 1 . . . . 81 TYR CB . 11121 1 909 . 1 1 81 81 TYR CD1 C 13 133.481 0.300 . 1 . . . . 81 TYR CD1 . 11121 1 910 . 1 1 81 81 TYR CD2 C 13 133.481 0.300 . 1 . . . . 81 TYR CD2 . 11121 1 911 . 1 1 81 81 TYR CE1 C 13 118.094 0.300 . 1 . . . . 81 TYR CE1 . 11121 1 912 . 1 1 81 81 TYR CE2 C 13 118.094 0.300 . 1 . . . . 81 TYR CE2 . 11121 1 913 . 1 1 81 81 TYR N N 15 131.946 0.300 . 1 . . . . 81 TYR N . 11121 1 914 . 1 1 82 82 THR H H 1 8.525 0.030 . 1 . . . . 82 THR H . 11121 1 915 . 1 1 82 82 THR HA H 1 4.434 0.030 . 1 . . . . 82 THR HA . 11121 1 916 . 1 1 82 82 THR HB H 1 3.838 0.030 . 1 . . . . 82 THR HB . 11121 1 917 . 1 1 82 82 THR HG21 H 1 0.901 0.030 . 1 . . . . 82 THR HG2 . 11121 1 918 . 1 1 82 82 THR HG22 H 1 0.901 0.030 . 1 . . . . 82 THR HG2 . 11121 1 919 . 1 1 82 82 THR HG23 H 1 0.901 0.030 . 1 . . . . 82 THR HG2 . 11121 1 920 . 1 1 82 82 THR C C 13 171.804 0.300 . 1 . . . . 82 THR C . 11121 1 921 . 1 1 82 82 THR CA C 13 62.901 0.300 . 1 . . . . 82 THR CA . 11121 1 922 . 1 1 82 82 THR CB C 13 71.948 0.300 . 1 . . . . 82 THR CB . 11121 1 923 . 1 1 82 82 THR CG2 C 13 20.380 0.300 . 1 . . . . 82 THR CG2 . 11121 1 924 . 1 1 82 82 THR N N 15 117.209 0.300 . 1 . . . . 82 THR N . 11121 1 925 . 1 1 83 83 GLU H H 1 8.826 0.030 . 1 . . . . 83 GLU H . 11121 1 926 . 1 1 83 83 GLU HA H 1 4.620 0.030 . 1 . . . . 83 GLU HA . 11121 1 927 . 1 1 83 83 GLU HB2 H 1 1.868 0.030 . 2 . . . . 83 GLU HB2 . 11121 1 928 . 1 1 83 83 GLU HB3 H 1 1.716 0.030 . 2 . . . . 83 GLU HB3 . 11121 1 929 . 1 1 83 83 GLU HG2 H 1 1.993 0.030 . 2 . . . . 83 GLU HG2 . 11121 1 930 . 1 1 83 83 GLU HG3 H 1 1.876 0.030 . 2 . . . . 83 GLU HG3 . 11121 1 931 . 1 1 83 83 GLU C C 13 174.068 0.300 . 1 . . . . 83 GLU C . 11121 1 932 . 1 1 83 83 GLU CA C 13 56.513 0.300 . 1 . . . . 83 GLU CA . 11121 1 933 . 1 1 83 83 GLU CB C 13 31.660 0.300 . 1 . . . . 83 GLU CB . 11121 1 934 . 1 1 83 83 GLU CG C 13 37.742 0.300 . 1 . . . . 83 GLU CG . 11121 1 935 . 1 1 83 83 GLU N N 15 127.841 0.300 . 1 . . . . 83 GLU N . 11121 1 936 . 1 1 84 84 TYR H H 1 8.914 0.030 . 1 . . . . 84 TYR H . 11121 1 937 . 1 1 84 84 TYR HA H 1 4.997 0.030 . 1 . . . . 84 TYR HA . 11121 1 938 . 1 1 84 84 TYR HB2 H 1 2.673 0.030 . 2 . . . . 84 TYR HB2 . 11121 1 939 . 1 1 84 84 TYR HB3 H 1 2.421 0.030 . 2 . . . . 84 TYR HB3 . 11121 1 940 . 1 1 84 84 TYR HD1 H 1 6.999 0.030 . 1 . . . . 84 TYR HD1 . 11121 1 941 . 1 1 84 84 TYR HD2 H 1 6.999 0.030 . 1 . . . . 84 TYR HD2 . 11121 1 942 . 1 1 84 84 TYR HE1 H 1 6.875 0.030 . 1 . . . . 84 TYR HE1 . 11121 1 943 . 1 1 84 84 TYR HE2 H 1 6.875 0.030 . 1 . . . . 84 TYR HE2 . 11121 1 944 . 1 1 84 84 TYR C C 13 173.644 0.300 . 1 . . . . 84 TYR C . 11121 1 945 . 1 1 84 84 TYR CA C 13 57.198 0.300 . 1 . . . . 84 TYR CA . 11121 1 946 . 1 1 84 84 TYR CB C 13 44.644 0.300 . 1 . . . . 84 TYR CB . 11121 1 947 . 1 1 84 84 TYR CE1 C 13 118.443 0.300 . 1 . . . . 84 TYR CE1 . 11121 1 948 . 1 1 84 84 TYR CE2 C 13 118.443 0.300 . 1 . . . . 84 TYR CE2 . 11121 1 949 . 1 1 84 84 TYR N N 15 124.748 0.300 . 1 . . . . 84 TYR N . 11121 1 950 . 1 1 85 85 SER H H 1 8.754 0.030 . 1 . . . . 85 SER H . 11121 1 951 . 1 1 85 85 SER HA H 1 5.410 0.030 . 1 . . . . 85 SER HA . 11121 1 952 . 1 1 85 85 SER HB2 H 1 3.557 0.030 . 2 . . . . 85 SER HB2 . 11121 1 953 . 1 1 85 85 SER HB3 H 1 3.458 0.030 . 2 . . . . 85 SER HB3 . 11121 1 954 . 1 1 85 85 SER C C 13 173.088 0.300 . 1 . . . . 85 SER C . 11121 1 955 . 1 1 85 85 SER CA C 13 56.530 0.300 . 1 . . . . 85 SER CA . 11121 1 956 . 1 1 85 85 SER CB C 13 65.838 0.300 . 1 . . . . 85 SER CB . 11121 1 957 . 1 1 85 85 SER N N 15 113.600 0.300 . 1 . . . . 85 SER N . 11121 1 958 . 1 1 86 86 PHE H H 1 9.023 0.030 . 1 . . . . 86 PHE H . 11121 1 959 . 1 1 86 86 PHE HA H 1 5.710 0.030 . 1 . . . . 86 PHE HA . 11121 1 960 . 1 1 86 86 PHE HB2 H 1 2.984 0.030 . 2 . . . . 86 PHE HB2 . 11121 1 961 . 1 1 86 86 PHE HB3 H 1 2.790 0.030 . 2 . . . . 86 PHE HB3 . 11121 1 962 . 1 1 86 86 PHE HD1 H 1 7.245 0.030 . 1 . . . . 86 PHE HD1 . 11121 1 963 . 1 1 86 86 PHE HD2 H 1 7.245 0.030 . 1 . . . . 86 PHE HD2 . 11121 1 964 . 1 1 86 86 PHE HE1 H 1 6.953 0.030 . 1 . . . . 86 PHE HE1 . 11121 1 965 . 1 1 86 86 PHE HE2 H 1 6.953 0.030 . 1 . . . . 86 PHE HE2 . 11121 1 966 . 1 1 86 86 PHE HZ H 1 6.675 0.030 . 1 . . . . 86 PHE HZ . 11121 1 967 . 1 1 86 86 PHE C C 13 174.291 0.300 . 1 . . . . 86 PHE C . 11121 1 968 . 1 1 86 86 PHE CA C 13 57.078 0.300 . 1 . . . . 86 PHE CA . 11121 1 969 . 1 1 86 86 PHE CB C 13 43.851 0.300 . 1 . . . . 86 PHE CB . 11121 1 970 . 1 1 86 86 PHE CD1 C 13 132.465 0.300 . 1 . . . . 86 PHE CD1 . 11121 1 971 . 1 1 86 86 PHE CD2 C 13 132.465 0.300 . 1 . . . . 86 PHE CD2 . 11121 1 972 . 1 1 86 86 PHE CE1 C 13 130.751 0.300 . 1 . . . . 86 PHE CE1 . 11121 1 973 . 1 1 86 86 PHE CE2 C 13 130.751 0.300 . 1 . . . . 86 PHE CE2 . 11121 1 974 . 1 1 86 86 PHE CZ C 13 128.262 0.300 . 1 . . . . 86 PHE CZ . 11121 1 975 . 1 1 86 86 PHE N N 15 120.727 0.300 . 1 . . . . 86 PHE N . 11121 1 976 . 1 1 87 87 ARG H H 1 8.729 0.030 . 1 . . . . 87 ARG H . 11121 1 977 . 1 1 87 87 ARG HA H 1 4.526 0.030 . 1 . . . . 87 ARG HA . 11121 1 978 . 1 1 87 87 ARG HB2 H 1 1.773 0.030 . 2 . . . . 87 ARG HB2 . 11121 1 979 . 1 1 87 87 ARG HB3 H 1 1.545 0.030 . 2 . . . . 87 ARG HB3 . 11121 1 980 . 1 1 87 87 ARG HD2 H 1 2.967 0.030 . 2 . . . . 87 ARG HD2 . 11121 1 981 . 1 1 87 87 ARG HD3 H 1 2.916 0.030 . 2 . . . . 87 ARG HD3 . 11121 1 982 . 1 1 87 87 ARG HE H 1 8.305 0.030 . 1 . . . . 87 ARG HE . 11121 1 983 . 1 1 87 87 ARG HG2 H 1 1.214 0.030 . 2 . . . . 87 ARG HG2 . 11121 1 984 . 1 1 87 87 ARG HG3 H 1 1.642 0.030 . 2 . . . . 87 ARG HG3 . 11121 1 985 . 1 1 87 87 ARG C C 13 172.946 0.300 . 1 . . . . 87 ARG C . 11121 1 986 . 1 1 87 87 ARG CA C 13 55.431 0.300 . 1 . . . . 87 ARG CA . 11121 1 987 . 1 1 87 87 ARG CB C 13 31.785 0.300 . 1 . . . . 87 ARG CB . 11121 1 988 . 1 1 87 87 ARG CD C 13 42.799 0.300 . 1 . . . . 87 ARG CD . 11121 1 989 . 1 1 87 87 ARG CG C 13 27.385 0.300 . 1 . . . . 87 ARG CG . 11121 1 990 . 1 1 87 87 ARG N N 15 113.861 0.300 . 1 . . . . 87 ARG N . 11121 1 991 . 1 1 87 87 ARG NE N 15 86.604 0.300 . 1 . . . . 87 ARG NE . 11121 1 992 . 1 1 88 88 VAL H H 1 8.403 0.030 . 1 . . . . 88 VAL H . 11121 1 993 . 1 1 88 88 VAL HA H 1 5.254 0.030 . 1 . . . . 88 VAL HA . 11121 1 994 . 1 1 88 88 VAL HB H 1 1.340 0.030 . 1 . . . . 88 VAL HB . 11121 1 995 . 1 1 88 88 VAL HG11 H 1 0.089 0.030 . 1 . . . . 88 VAL HG1 . 11121 1 996 . 1 1 88 88 VAL HG12 H 1 0.089 0.030 . 1 . . . . 88 VAL HG1 . 11121 1 997 . 1 1 88 88 VAL HG13 H 1 0.089 0.030 . 1 . . . . 88 VAL HG1 . 11121 1 998 . 1 1 88 88 VAL HG21 H 1 0.009 0.030 . 1 . . . . 88 VAL HG2 . 11121 1 999 . 1 1 88 88 VAL HG22 H 1 0.009 0.030 . 1 . . . . 88 VAL HG2 . 11121 1 1000 . 1 1 88 88 VAL HG23 H 1 0.009 0.030 . 1 . . . . 88 VAL HG2 . 11121 1 1001 . 1 1 88 88 VAL C C 13 175.686 0.300 . 1 . . . . 88 VAL C . 11121 1 1002 . 1 1 88 88 VAL CA C 13 60.924 0.300 . 1 . . . . 88 VAL CA . 11121 1 1003 . 1 1 88 88 VAL CB C 13 36.481 0.300 . 1 . . . . 88 VAL CB . 11121 1 1004 . 1 1 88 88 VAL CG1 C 13 21.057 0.300 . 2 . . . . 88 VAL CG1 . 11121 1 1005 . 1 1 88 88 VAL CG2 C 13 23.080 0.300 . 2 . . . . 88 VAL CG2 . 11121 1 1006 . 1 1 88 88 VAL N N 15 119.481 0.300 . 1 . . . . 88 VAL N . 11121 1 1007 . 1 1 89 89 VAL H H 1 9.125 0.030 . 1 . . . . 89 VAL H . 11121 1 1008 . 1 1 89 89 VAL HA H 1 3.982 0.030 . 1 . . . . 89 VAL HA . 11121 1 1009 . 1 1 89 89 VAL HB H 1 2.145 0.030 . 1 . . . . 89 VAL HB . 11121 1 1010 . 1 1 89 89 VAL HG11 H 1 0.792 0.030 . 1 . . . . 89 VAL HG1 . 11121 1 1011 . 1 1 89 89 VAL HG12 H 1 0.792 0.030 . 1 . . . . 89 VAL HG1 . 11121 1 1012 . 1 1 89 89 VAL HG13 H 1 0.792 0.030 . 1 . . . . 89 VAL HG1 . 11121 1 1013 . 1 1 89 89 VAL HG21 H 1 1.005 0.030 . 1 . . . . 89 VAL HG2 . 11121 1 1014 . 1 1 89 89 VAL HG22 H 1 1.005 0.030 . 1 . . . . 89 VAL HG2 . 11121 1 1015 . 1 1 89 89 VAL HG23 H 1 1.005 0.030 . 1 . . . . 89 VAL HG2 . 11121 1 1016 . 1 1 89 89 VAL C C 13 173.522 0.300 . 1 . . . . 89 VAL C . 11121 1 1017 . 1 1 89 89 VAL CA C 13 62.611 0.300 . 1 . . . . 89 VAL CA . 11121 1 1018 . 1 1 89 89 VAL CB C 13 36.268 0.300 . 1 . . . . 89 VAL CB . 11121 1 1019 . 1 1 89 89 VAL CG1 C 13 22.153 0.300 . 2 . . . . 89 VAL CG1 . 11121 1 1020 . 1 1 89 89 VAL CG2 C 13 21.934 0.300 . 2 . . . . 89 VAL CG2 . 11121 1 1021 . 1 1 89 89 VAL N N 15 129.313 0.300 . 1 . . . . 89 VAL N . 11121 1 1022 . 1 1 90 90 ALA H H 1 8.695 0.030 . 1 . . . . 90 ALA H . 11121 1 1023 . 1 1 90 90 ALA HA H 1 5.032 0.030 . 1 . . . . 90 ALA HA . 11121 1 1024 . 1 1 90 90 ALA HB1 H 1 1.470 0.030 . 1 . . . . 90 ALA HB . 11121 1 1025 . 1 1 90 90 ALA HB2 H 1 1.470 0.030 . 1 . . . . 90 ALA HB . 11121 1 1026 . 1 1 90 90 ALA HB3 H 1 1.470 0.030 . 1 . . . . 90 ALA HB . 11121 1 1027 . 1 1 90 90 ALA C C 13 175.181 0.300 . 1 . . . . 90 ALA C . 11121 1 1028 . 1 1 90 90 ALA CA C 13 50.903 0.300 . 1 . . . . 90 ALA CA . 11121 1 1029 . 1 1 90 90 ALA CB C 13 22.335 0.300 . 1 . . . . 90 ALA CB . 11121 1 1030 . 1 1 90 90 ALA N N 15 129.625 0.300 . 1 . . . . 90 ALA N . 11121 1 1031 . 1 1 91 91 TYR H H 1 8.679 0.030 . 1 . . . . 91 TYR H . 11121 1 1032 . 1 1 91 91 TYR HA H 1 5.093 0.030 . 1 . . . . 91 TYR HA . 11121 1 1033 . 1 1 91 91 TYR HB2 H 1 2.895 0.030 . 2 . . . . 91 TYR HB2 . 11121 1 1034 . 1 1 91 91 TYR HB3 H 1 2.677 0.030 . 2 . . . . 91 TYR HB3 . 11121 1 1035 . 1 1 91 91 TYR HD1 H 1 7.042 0.030 . 1 . . . . 91 TYR HD1 . 11121 1 1036 . 1 1 91 91 TYR HD2 H 1 7.042 0.030 . 1 . . . . 91 TYR HD2 . 11121 1 1037 . 1 1 91 91 TYR HE1 H 1 6.706 0.030 . 1 . . . . 91 TYR HE1 . 11121 1 1038 . 1 1 91 91 TYR HE2 H 1 6.706 0.030 . 1 . . . . 91 TYR HE2 . 11121 1 1039 . 1 1 91 91 TYR C C 13 177.020 0.300 . 1 . . . . 91 TYR C . 11121 1 1040 . 1 1 91 91 TYR CA C 13 56.831 0.300 . 1 . . . . 91 TYR CA . 11121 1 1041 . 1 1 91 91 TYR CB C 13 40.744 0.300 . 1 . . . . 91 TYR CB . 11121 1 1042 . 1 1 91 91 TYR CD1 C 13 132.473 0.300 . 1 . . . . 91 TYR CD1 . 11121 1 1043 . 1 1 91 91 TYR CD2 C 13 132.473 0.300 . 1 . . . . 91 TYR CD2 . 11121 1 1044 . 1 1 91 91 TYR CE1 C 13 118.601 0.300 . 1 . . . . 91 TYR CE1 . 11121 1 1045 . 1 1 91 91 TYR CE2 C 13 118.601 0.300 . 1 . . . . 91 TYR CE2 . 11121 1 1046 . 1 1 91 91 TYR N N 15 118.693 0.300 . 1 . . . . 91 TYR N . 11121 1 1047 . 1 1 92 92 ASN H H 1 8.235 0.030 . 1 . . . . 92 ASN H . 11121 1 1048 . 1 1 92 92 ASN HA H 1 4.967 0.030 . 1 . . . . 92 ASN HA . 11121 1 1049 . 1 1 92 92 ASN HB2 H 1 3.477 0.030 . 2 . . . . 92 ASN HB2 . 11121 1 1050 . 1 1 92 92 ASN HB3 H 1 2.718 0.030 . 2 . . . . 92 ASN HB3 . 11121 1 1051 . 1 1 92 92 ASN HD21 H 1 7.957 0.030 . 2 . . . . 92 ASN HD21 . 11121 1 1052 . 1 1 92 92 ASN HD22 H 1 7.457 0.030 . 2 . . . . 92 ASN HD22 . 11121 1 1053 . 1 1 92 92 ASN C C 13 176.272 0.300 . 1 . . . . 92 ASN C . 11121 1 1054 . 1 1 92 92 ASN CA C 13 51.152 0.300 . 1 . . . . 92 ASN CA . 11121 1 1055 . 1 1 92 92 ASN CB C 13 39.994 0.300 . 1 . . . . 92 ASN CB . 11121 1 1056 . 1 1 92 92 ASN N N 15 121.077 0.300 . 1 . . . . 92 ASN N . 11121 1 1057 . 1 1 92 92 ASN ND2 N 15 110.234 0.300 . 1 . . . . 92 ASN ND2 . 11121 1 1058 . 1 1 93 93 LYS H H 1 8.836 0.030 . 1 . . . . 93 LYS H . 11121 1 1059 . 1 1 93 93 LYS HA H 1 4.015 0.030 . 1 . . . . 93 LYS HA . 11121 1 1060 . 1 1 93 93 LYS HB2 H 1 1.670 0.030 . 2 . . . . 93 LYS HB2 . 11121 1 1061 . 1 1 93 93 LYS HB3 H 1 1.549 0.030 . 2 . . . . 93 LYS HB3 . 11121 1 1062 . 1 1 93 93 LYS HD2 H 1 1.520 0.030 . 2 . . . . 93 LYS HD2 . 11121 1 1063 . 1 1 93 93 LYS HE2 H 1 2.837 0.030 . 1 . . . . 93 LYS HE2 . 11121 1 1064 . 1 1 93 93 LYS HE3 H 1 2.837 0.030 . 1 . . . . 93 LYS HE3 . 11121 1 1065 . 1 1 93 93 LYS HG2 H 1 1.081 0.030 . 2 . . . . 93 LYS HG2 . 11121 1 1066 . 1 1 93 93 LYS HG3 H 1 0.660 0.030 . 2 . . . . 93 LYS HG3 . 11121 1 1067 . 1 1 93 93 LYS C C 13 176.545 0.300 . 1 . . . . 93 LYS C . 11121 1 1068 . 1 1 93 93 LYS CA C 13 58.844 0.300 . 1 . . . . 93 LYS CA . 11121 1 1069 . 1 1 93 93 LYS CB C 13 31.459 0.300 . 1 . . . . 93 LYS CB . 11121 1 1070 . 1 1 93 93 LYS CD C 13 29.299 0.300 . 1 . . . . 93 LYS CD . 11121 1 1071 . 1 1 93 93 LYS CE C 13 41.943 0.300 . 1 . . . . 93 LYS CE . 11121 1 1072 . 1 1 93 93 LYS CG C 13 23.647 0.300 . 1 . . . . 93 LYS CG . 11121 1 1073 . 1 1 93 93 LYS N N 15 116.924 0.300 . 1 . . . . 93 LYS N . 11121 1 1074 . 1 1 94 94 HIS H H 1 8.035 0.030 . 1 . . . . 94 HIS H . 11121 1 1075 . 1 1 94 94 HIS HA H 1 4.566 0.030 . 1 . . . . 94 HIS HA . 11121 1 1076 . 1 1 94 94 HIS HB2 H 1 3.146 0.030 . 2 . . . . 94 HIS HB2 . 11121 1 1077 . 1 1 94 94 HIS HB3 H 1 3.057 0.030 . 2 . . . . 94 HIS HB3 . 11121 1 1078 . 1 1 94 94 HIS HD2 H 1 7.028 0.030 . 1 . . . . 94 HIS HD2 . 11121 1 1079 . 1 1 94 94 HIS HE1 H 1 7.769 0.030 . 1 . . . . 94 HIS HE1 . 11121 1 1080 . 1 1 94 94 HIS C C 13 175.625 0.300 . 1 . . . . 94 HIS C . 11121 1 1081 . 1 1 94 94 HIS CA C 13 56.728 0.300 . 1 . . . . 94 HIS CA . 11121 1 1082 . 1 1 94 94 HIS CB C 13 30.882 0.300 . 1 . . . . 94 HIS CB . 11121 1 1083 . 1 1 94 94 HIS CD2 C 13 120.766 0.300 . 1 . . . . 94 HIS CD2 . 11121 1 1084 . 1 1 94 94 HIS CE1 C 13 138.913 0.300 . 1 . . . . 94 HIS CE1 . 11121 1 1085 . 1 1 94 94 HIS N N 15 117.690 0.300 . 1 . . . . 94 HIS N . 11121 1 1086 . 1 1 95 95 GLY H H 1 7.811 0.030 . 1 . . . . 95 GLY H . 11121 1 1087 . 1 1 95 95 GLY HA2 H 1 3.894 0.030 . 2 . . . . 95 GLY HA2 . 11121 1 1088 . 1 1 95 95 GLY HA3 H 1 4.653 0.030 . 2 . . . . 95 GLY HA3 . 11121 1 1089 . 1 1 95 95 GLY C C 13 169.347 0.300 . 1 . . . . 95 GLY C . 11121 1 1090 . 1 1 95 95 GLY CA C 13 44.667 0.300 . 1 . . . . 95 GLY CA . 11121 1 1091 . 1 1 95 95 GLY N N 15 108.630 0.300 . 1 . . . . 95 GLY N . 11121 1 1092 . 1 1 96 96 PRO HA H 1 3.912 0.030 . 1 . . . . 96 PRO HA . 11121 1 1093 . 1 1 96 96 PRO HB2 H 1 1.584 0.030 . 2 . . . . 96 PRO HB2 . 11121 1 1094 . 1 1 96 96 PRO HB3 H 1 1.081 0.030 . 2 . . . . 96 PRO HB3 . 11121 1 1095 . 1 1 96 96 PRO HD2 H 1 3.738 0.030 . 2 . . . . 96 PRO HD2 . 11121 1 1096 . 1 1 96 96 PRO HD3 H 1 3.499 0.030 . 2 . . . . 96 PRO HD3 . 11121 1 1097 . 1 1 96 96 PRO HG2 H 1 2.052 0.030 . 2 . . . . 96 PRO HG2 . 11121 1 1098 . 1 1 96 96 PRO HG3 H 1 1.910 0.030 . 2 . . . . 96 PRO HG3 . 11121 1 1099 . 1 1 96 96 PRO C C 13 177.940 0.300 . 1 . . . . 96 PRO C . 11121 1 1100 . 1 1 96 96 PRO CA C 13 61.398 0.300 . 1 . . . . 96 PRO CA . 11121 1 1101 . 1 1 96 96 PRO CB C 13 32.009 0.300 . 1 . . . . 96 PRO CB . 11121 1 1102 . 1 1 96 96 PRO CD C 13 49.703 0.300 . 1 . . . . 96 PRO CD . 11121 1 1103 . 1 1 96 96 PRO CG C 13 25.886 0.300 . 1 . . . . 96 PRO CG . 11121 1 1104 . 1 1 97 97 GLY H H 1 8.369 0.030 . 1 . . . . 97 GLY H . 11121 1 1105 . 1 1 97 97 GLY HA2 H 1 4.268 0.030 . 2 . . . . 97 GLY HA2 . 11121 1 1106 . 1 1 97 97 GLY HA3 H 1 4.051 0.030 . 2 . . . . 97 GLY HA3 . 11121 1 1107 . 1 1 97 97 GLY C C 13 172.653 0.300 . 1 . . . . 97 GLY C . 11121 1 1108 . 1 1 97 97 GLY CA C 13 43.698 0.300 . 1 . . . . 97 GLY CA . 11121 1 1109 . 1 1 97 97 GLY N N 15 107.805 0.300 . 1 . . . . 97 GLY N . 11121 1 1110 . 1 1 98 98 VAL H H 1 7.270 0.030 . 1 . . . . 98 VAL H . 11121 1 1111 . 1 1 98 98 VAL HA H 1 3.866 0.030 . 1 . . . . 98 VAL HA . 11121 1 1112 . 1 1 98 98 VAL HB H 1 1.798 0.030 . 1 . . . . 98 VAL HB . 11121 1 1113 . 1 1 98 98 VAL HG11 H 1 1.014 0.030 . 1 . . . . 98 VAL HG1 . 11121 1 1114 . 1 1 98 98 VAL HG12 H 1 1.014 0.030 . 1 . . . . 98 VAL HG1 . 11121 1 1115 . 1 1 98 98 VAL HG13 H 1 1.014 0.030 . 1 . . . . 98 VAL HG1 . 11121 1 1116 . 1 1 98 98 VAL C C 13 176.808 0.300 . 1 . . . . 98 VAL C . 11121 1 1117 . 1 1 98 98 VAL CA C 13 61.850 0.300 . 1 . . . . 98 VAL CA . 11121 1 1118 . 1 1 98 98 VAL CB C 13 33.166 0.300 . 1 . . . . 98 VAL CB . 11121 1 1119 . 1 1 98 98 VAL CG1 C 13 20.955 0.300 . 2 . . . . 98 VAL CG1 . 11121 1 1120 . 1 1 98 98 VAL N N 15 115.765 0.300 . 1 . . . . 98 VAL N . 11121 1 1121 . 1 1 99 99 SER H H 1 8.526 0.030 . 1 . . . . 99 SER H . 11121 1 1122 . 1 1 99 99 SER HA H 1 4.622 0.030 . 1 . . . . 99 SER HA . 11121 1 1123 . 1 1 99 99 SER HB2 H 1 3.627 0.030 . 2 . . . . 99 SER HB2 . 11121 1 1124 . 1 1 99 99 SER HB3 H 1 3.481 0.030 . 2 . . . . 99 SER HB3 . 11121 1 1125 . 1 1 99 99 SER C C 13 177.192 0.300 . 1 . . . . 99 SER C . 11121 1 1126 . 1 1 99 99 SER CA C 13 58.431 0.300 . 1 . . . . 99 SER CA . 11121 1 1127 . 1 1 99 99 SER CB C 13 63.592 0.300 . 1 . . . . 99 SER CB . 11121 1 1128 . 1 1 99 99 SER N N 15 117.419 0.300 . 1 . . . . 99 SER N . 11121 1 1129 . 1 1 100 100 THR H H 1 8.290 0.030 . 1 . . . . 100 THR H . 11121 1 1130 . 1 1 100 100 THR HA H 1 4.528 0.030 . 1 . . . . 100 THR HA . 11121 1 1131 . 1 1 100 100 THR HB H 1 4.810 0.030 . 1 . . . . 100 THR HB . 11121 1 1132 . 1 1 100 100 THR HG21 H 1 1.772 0.030 . 1 . . . . 100 THR HG2 . 11121 1 1133 . 1 1 100 100 THR HG22 H 1 1.772 0.030 . 1 . . . . 100 THR HG2 . 11121 1 1134 . 1 1 100 100 THR HG23 H 1 1.772 0.030 . 1 . . . . 100 THR HG2 . 11121 1 1135 . 1 1 100 100 THR C C 13 174.281 0.300 . 1 . . . . 100 THR C . 11121 1 1136 . 1 1 100 100 THR CA C 13 62.934 0.300 . 1 . . . . 100 THR CA . 11121 1 1137 . 1 1 100 100 THR CB C 13 68.915 0.300 . 1 . . . . 100 THR CB . 11121 1 1138 . 1 1 100 100 THR CG2 C 13 23.326 0.300 . 1 . . . . 100 THR CG2 . 11121 1 1139 . 1 1 100 100 THR N N 15 116.221 0.300 . 1 . . . . 100 THR N . 11121 1 1140 . 1 1 101 101 PRO HA H 1 4.642 0.030 . 1 . . . . 101 PRO HA . 11121 1 1141 . 1 1 101 101 PRO HB2 H 1 2.502 0.030 . 2 . . . . 101 PRO HB2 . 11121 1 1142 . 1 1 101 101 PRO HB3 H 1 1.943 0.030 . 2 . . . . 101 PRO HB3 . 11121 1 1143 . 1 1 101 101 PRO HD2 H 1 3.875 0.030 . 2 . . . . 101 PRO HD2 . 11121 1 1144 . 1 1 101 101 PRO HD3 H 1 3.802 0.030 . 2 . . . . 101 PRO HD3 . 11121 1 1145 . 1 1 101 101 PRO HG2 H 1 2.060 0.030 . 2 . . . . 101 PRO HG2 . 11121 1 1146 . 1 1 101 101 PRO C C 13 175.089 0.300 . 1 . . . . 101 PRO C . 11121 1 1147 . 1 1 101 101 PRO CA C 13 63.185 0.300 . 1 . . . . 101 PRO CA . 11121 1 1148 . 1 1 101 101 PRO CB C 13 32.305 0.300 . 1 . . . . 101 PRO CB . 11121 1 1149 . 1 1 101 101 PRO CD C 13 50.770 0.300 . 1 . . . . 101 PRO CD . 11121 1 1150 . 1 1 101 101 PRO CG C 13 27.612 0.300 . 1 . . . . 101 PRO CG . 11121 1 1151 . 1 1 102 102 ASP H H 1 8.221 0.030 . 1 . . . . 102 ASP H . 11121 1 1152 . 1 1 102 102 ASP HA H 1 5.203 0.030 . 1 . . . . 102 ASP HA . 11121 1 1153 . 1 1 102 102 ASP HB2 H 1 2.417 0.030 . 1 . . . . 102 ASP HB2 . 11121 1 1154 . 1 1 102 102 ASP HB3 H 1 2.417 0.030 . 1 . . . . 102 ASP HB3 . 11121 1 1155 . 1 1 102 102 ASP C C 13 177.404 0.300 . 1 . . . . 102 ASP C . 11121 1 1156 . 1 1 102 102 ASP CA C 13 53.911 0.300 . 1 . . . . 102 ASP CA . 11121 1 1157 . 1 1 102 102 ASP CB C 13 42.090 0.300 . 1 . . . . 102 ASP CB . 11121 1 1158 . 1 1 102 102 ASP N N 15 119.734 0.300 . 1 . . . . 102 ASP N . 11121 1 1159 . 1 1 103 103 VAL H H 1 9.145 0.030 . 1 . . . . 103 VAL H . 11121 1 1160 . 1 1 103 103 VAL HA H 1 4.471 0.030 . 1 . . . . 103 VAL HA . 11121 1 1161 . 1 1 103 103 VAL HB H 1 1.976 0.030 . 1 . . . . 103 VAL HB . 11121 1 1162 . 1 1 103 103 VAL HG11 H 1 0.984 0.030 . 1 . . . . 103 VAL HG1 . 11121 1 1163 . 1 1 103 103 VAL HG12 H 1 0.984 0.030 . 1 . . . . 103 VAL HG1 . 11121 1 1164 . 1 1 103 103 VAL HG13 H 1 0.984 0.030 . 1 . . . . 103 VAL HG1 . 11121 1 1165 . 1 1 103 103 VAL HG21 H 1 0.984 0.030 . 1 . . . . 103 VAL HG2 . 11121 1 1166 . 1 1 103 103 VAL HG22 H 1 0.984 0.030 . 1 . . . . 103 VAL HG2 . 11121 1 1167 . 1 1 103 103 VAL HG23 H 1 0.984 0.030 . 1 . . . . 103 VAL HG2 . 11121 1 1168 . 1 1 103 103 VAL C C 13 173.492 0.300 . 1 . . . . 103 VAL C . 11121 1 1169 . 1 1 103 103 VAL CA C 13 61.523 0.300 . 1 . . . . 103 VAL CA . 11121 1 1170 . 1 1 103 103 VAL CB C 13 35.200 0.300 . 1 . . . . 103 VAL CB . 11121 1 1171 . 1 1 103 103 VAL CG1 C 13 21.431 0.300 . 1 . . . . 103 VAL CG1 . 11121 1 1172 . 1 1 103 103 VAL CG2 C 13 21.431 0.300 . 1 . . . . 103 VAL CG2 . 11121 1 1173 . 1 1 103 103 VAL N N 15 121.074 0.300 . 1 . . . . 103 VAL N . 11121 1 1174 . 1 1 104 104 ALA H H 1 8.518 0.030 . 1 . . . . 104 ALA H . 11121 1 1175 . 1 1 104 104 ALA HA H 1 5.953 0.030 . 1 . . . . 104 ALA HA . 11121 1 1176 . 1 1 104 104 ALA HB1 H 1 1.340 0.030 . 1 . . . . 104 ALA HB . 11121 1 1177 . 1 1 104 104 ALA HB2 H 1 1.340 0.030 . 1 . . . . 104 ALA HB . 11121 1 1178 . 1 1 104 104 ALA HB3 H 1 1.340 0.030 . 1 . . . . 104 ALA HB . 11121 1 1179 . 1 1 104 104 ALA C C 13 177.708 0.300 . 1 . . . . 104 ALA C . 11121 1 1180 . 1 1 104 104 ALA CA C 13 50.577 0.300 . 1 . . . . 104 ALA CA . 11121 1 1181 . 1 1 104 104 ALA CB C 13 22.285 0.300 . 1 . . . . 104 ALA CB . 11121 1 1182 . 1 1 104 104 ALA N N 15 127.466 0.300 . 1 . . . . 104 ALA N . 11121 1 1183 . 1 1 105 105 VAL H H 1 9.079 0.030 . 1 . . . . 105 VAL H . 11121 1 1184 . 1 1 105 105 VAL HA H 1 4.506 0.030 . 1 . . . . 105 VAL HA . 11121 1 1185 . 1 1 105 105 VAL HB H 1 2.112 0.030 . 1 . . . . 105 VAL HB . 11121 1 1186 . 1 1 105 105 VAL HG11 H 1 0.879 0.030 . 1 . . . . 105 VAL HG1 . 11121 1 1187 . 1 1 105 105 VAL HG12 H 1 0.879 0.030 . 1 . . . . 105 VAL HG1 . 11121 1 1188 . 1 1 105 105 VAL HG13 H 1 0.879 0.030 . 1 . . . . 105 VAL HG1 . 11121 1 1189 . 1 1 105 105 VAL HG21 H 1 1.073 0.030 . 1 . . . . 105 VAL HG2 . 11121 1 1190 . 1 1 105 105 VAL HG22 H 1 1.073 0.030 . 1 . . . . 105 VAL HG2 . 11121 1 1191 . 1 1 105 105 VAL HG23 H 1 1.073 0.030 . 1 . . . . 105 VAL HG2 . 11121 1 1192 . 1 1 105 105 VAL C C 13 171.905 0.300 . 1 . . . . 105 VAL C . 11121 1 1193 . 1 1 105 105 VAL CA C 13 61.204 0.300 . 1 . . . . 105 VAL CA . 11121 1 1194 . 1 1 105 105 VAL CB C 13 36.084 0.300 . 1 . . . . 105 VAL CB . 11121 1 1195 . 1 1 105 105 VAL CG1 C 13 21.736 0.300 . 2 . . . . 105 VAL CG1 . 11121 1 1196 . 1 1 105 105 VAL CG2 C 13 22.578 0.300 . 2 . . . . 105 VAL CG2 . 11121 1 1197 . 1 1 105 105 VAL N N 15 120.002 0.300 . 1 . . . . 105 VAL N . 11121 1 1198 . 1 1 106 106 ARG H H 1 8.223 0.030 . 1 . . . . 106 ARG H . 11121 1 1199 . 1 1 106 106 ARG HA H 1 5.308 0.030 . 1 . . . . 106 ARG HA . 11121 1 1200 . 1 1 106 106 ARG HB2 H 1 1.676 0.030 . 2 . . . . 106 ARG HB2 . 11121 1 1201 . 1 1 106 106 ARG HB3 H 1 1.532 0.030 . 2 . . . . 106 ARG HB3 . 11121 1 1202 . 1 1 106 106 ARG HD2 H 1 1.912 0.030 . 2 . . . . 106 ARG HD2 . 11121 1 1203 . 1 1 106 106 ARG HD3 H 1 2.439 0.030 . 2 . . . . 106 ARG HD3 . 11121 1 1204 . 1 1 106 106 ARG HG2 H 1 1.735 0.030 . 2 . . . . 106 ARG HG2 . 11121 1 1205 . 1 1 106 106 ARG HG3 H 1 0.983 0.030 . 2 . . . . 106 ARG HG3 . 11121 1 1206 . 1 1 106 106 ARG C C 13 177.425 0.300 . 1 . . . . 106 ARG C . 11121 1 1207 . 1 1 106 106 ARG CA C 13 54.073 0.300 . 1 . . . . 106 ARG CA . 11121 1 1208 . 1 1 106 106 ARG CB C 13 33.339 0.300 . 1 . . . . 106 ARG CB . 11121 1 1209 . 1 1 106 106 ARG CD C 13 43.069 0.300 . 1 . . . . 106 ARG CD . 11121 1 1210 . 1 1 106 106 ARG CG C 13 27.657 0.300 . 1 . . . . 106 ARG CG . 11121 1 1211 . 1 1 106 106 ARG N N 15 126.224 0.300 . 1 . . . . 106 ARG N . 11121 1 1212 . 1 1 107 107 THR H H 1 8.685 0.030 . 1 . . . . 107 THR H . 11121 1 1213 . 1 1 107 107 THR HA H 1 4.139 0.030 . 1 . . . . 107 THR HA . 11121 1 1214 . 1 1 107 107 THR HB H 1 4.829 0.030 . 1 . . . . 107 THR HB . 11121 1 1215 . 1 1 107 107 THR HG21 H 1 1.316 0.030 . 1 . . . . 107 THR HG2 . 11121 1 1216 . 1 1 107 107 THR HG22 H 1 1.316 0.030 . 1 . . . . 107 THR HG2 . 11121 1 1217 . 1 1 107 107 THR HG23 H 1 1.316 0.030 . 1 . . . . 107 THR HG2 . 11121 1 1218 . 1 1 107 107 THR C C 13 174.948 0.300 . 1 . . . . 107 THR C . 11121 1 1219 . 1 1 107 107 THR CA C 13 62.341 0.300 . 1 . . . . 107 THR CA . 11121 1 1220 . 1 1 107 107 THR CB C 13 69.615 0.300 . 1 . . . . 107 THR CB . 11121 1 1221 . 1 1 107 107 THR CG2 C 13 24.212 0.300 . 1 . . . . 107 THR CG2 . 11121 1 1222 . 1 1 107 107 THR N N 15 114.008 0.300 . 1 . . . . 107 THR N . 11121 1 1223 . 1 1 108 108 LEU H H 1 6.553 0.030 . 1 . . . . 108 LEU H . 11121 1 1224 . 1 1 108 108 LEU HA H 1 4.467 0.030 . 1 . . . . 108 LEU HA . 11121 1 1225 . 1 1 108 108 LEU HB2 H 1 1.876 0.030 . 2 . . . . 108 LEU HB2 . 11121 1 1226 . 1 1 108 108 LEU HB3 H 1 1.192 0.030 . 2 . . . . 108 LEU HB3 . 11121 1 1227 . 1 1 108 108 LEU HD11 H 1 0.810 0.030 . 1 . . . . 108 LEU HD1 . 11121 1 1228 . 1 1 108 108 LEU HD12 H 1 0.810 0.030 . 1 . . . . 108 LEU HD1 . 11121 1 1229 . 1 1 108 108 LEU HD13 H 1 0.810 0.030 . 1 . . . . 108 LEU HD1 . 11121 1 1230 . 1 1 108 108 LEU HD21 H 1 0.954 0.030 . 1 . . . . 108 LEU HD2 . 11121 1 1231 . 1 1 108 108 LEU HD22 H 1 0.954 0.030 . 1 . . . . 108 LEU HD2 . 11121 1 1232 . 1 1 108 108 LEU HD23 H 1 0.954 0.030 . 1 . . . . 108 LEU HD2 . 11121 1 1233 . 1 1 108 108 LEU HG H 1 1.424 0.030 . 1 . . . . 108 LEU HG . 11121 1 1234 . 1 1 108 108 LEU C C 13 176.434 0.300 . 1 . . . . 108 LEU C . 11121 1 1235 . 1 1 108 108 LEU CA C 13 55.300 0.300 . 1 . . . . 108 LEU CA . 11121 1 1236 . 1 1 108 108 LEU CB C 13 42.485 0.300 . 1 . . . . 108 LEU CB . 11121 1 1237 . 1 1 108 108 LEU CD1 C 13 25.508 0.300 . 2 . . . . 108 LEU CD1 . 11121 1 1238 . 1 1 108 108 LEU CD2 C 13 21.975 0.300 . 2 . . . . 108 LEU CD2 . 11121 1 1239 . 1 1 108 108 LEU CG C 13 27.188 0.300 . 1 . . . . 108 LEU CG . 11121 1 1240 . 1 1 108 108 LEU N N 15 115.147 0.300 . 1 . . . . 108 LEU N . 11121 1 1241 . 1 1 109 109 SER H H 1 8.230 0.030 . 1 . . . . 109 SER H . 11121 1 1242 . 1 1 109 109 SER HA H 1 4.574 0.030 . 1 . . . . 109 SER HA . 11121 1 1243 . 1 1 109 109 SER HB2 H 1 3.686 0.030 . 2 . . . . 109 SER HB2 . 11121 1 1244 . 1 1 109 109 SER HB3 H 1 3.565 0.030 . 2 . . . . 109 SER HB3 . 11121 1 1245 . 1 1 109 109 SER C C 13 174.624 0.300 . 1 . . . . 109 SER C . 11121 1 1246 . 1 1 109 109 SER CA C 13 57.572 0.300 . 1 . . . . 109 SER CA . 11121 1 1247 . 1 1 109 109 SER CB C 13 64.317 0.300 . 1 . . . . 109 SER CB . 11121 1 1248 . 1 1 109 109 SER N N 15 111.352 0.300 . 1 . . . . 109 SER N . 11121 1 1249 . 1 1 110 110 ASP H H 1 8.420 0.030 . 1 . . . . 110 ASP H . 11121 1 1250 . 1 1 110 110 ASP HA H 1 4.713 0.030 . 1 . . . . 110 ASP HA . 11121 1 1251 . 1 1 110 110 ASP HB2 H 1 2.668 0.030 . 1 . . . . 110 ASP HB2 . 11121 1 1252 . 1 1 110 110 ASP HB3 H 1 2.668 0.030 . 1 . . . . 110 ASP HB3 . 11121 1 1253 . 1 1 110 110 ASP C C 13 176.181 0.300 . 1 . . . . 110 ASP C . 11121 1 1254 . 1 1 110 110 ASP CA C 13 54.205 0.300 . 1 . . . . 110 ASP CA . 11121 1 1255 . 1 1 110 110 ASP CB C 13 41.900 0.300 . 1 . . . . 110 ASP CB . 11121 1 1256 . 1 1 110 110 ASP N N 15 120.734 0.300 . 1 . . . . 110 ASP N . 11121 1 1257 . 1 1 111 111 SER H H 1 8.337 0.030 . 1 . . . . 111 SER H . 11121 1 1258 . 1 1 111 111 SER HA H 1 4.486 0.030 . 1 . . . . 111 SER HA . 11121 1 1259 . 1 1 111 111 SER HB2 H 1 3.845 0.030 . 2 . . . . 111 SER HB2 . 11121 1 1260 . 1 1 111 111 SER C C 13 174.645 0.300 . 1 . . . . 111 SER C . 11121 1 1261 . 1 1 111 111 SER CA C 13 58.436 0.300 . 1 . . . . 111 SER CA . 11121 1 1262 . 1 1 111 111 SER CB C 13 63.986 0.300 . 1 . . . . 111 SER CB . 11121 1 1263 . 1 1 111 111 SER N N 15 115.888 0.300 . 1 . . . . 111 SER N . 11121 1 1264 . 1 1 112 112 GLY H H 1 8.280 0.030 . 1 . . . . 112 GLY H . 11121 1 1265 . 1 1 112 112 GLY HA2 H 1 4.109 0.030 . 2 . . . . 112 GLY HA2 . 11121 1 1266 . 1 1 112 112 GLY C C 13 171.875 0.300 . 1 . . . . 112 GLY C . 11121 1 1267 . 1 1 112 112 GLY CA C 13 44.712 0.300 . 1 . . . . 112 GLY CA . 11121 1 1268 . 1 1 112 112 GLY N N 15 110.750 0.300 . 1 . . . . 112 GLY N . 11121 1 1269 . 1 1 113 113 PRO HA H 1 4.471 0.030 . 1 . . . . 113 PRO HA . 11121 1 1270 . 1 1 113 113 PRO HB2 H 1 2.285 0.030 . 2 . . . . 113 PRO HB2 . 11121 1 1271 . 1 1 113 113 PRO HB3 H 1 1.976 0.030 . 2 . . . . 113 PRO HB3 . 11121 1 1272 . 1 1 113 113 PRO HD2 H 1 3.628 0.030 . 2 . . . . 113 PRO HD2 . 11121 1 1273 . 1 1 113 113 PRO HG2 H 1 2.016 0.030 . 2 . . . . 113 PRO HG2 . 11121 1 1274 . 1 1 113 113 PRO CA C 13 63.262 0.300 . 1 . . . . 113 PRO CA . 11121 1 1275 . 1 1 113 113 PRO CB C 13 32.215 0.300 . 1 . . . . 113 PRO CB . 11121 1 1276 . 1 1 113 113 PRO CD C 13 49.841 0.300 . 1 . . . . 113 PRO CD . 11121 1 1277 . 1 1 113 113 PRO CG C 13 27.171 0.300 . 1 . . . . 113 PRO CG . 11121 1 stop_ save_