data_11257 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11257 _Entry.Title ; Solution Structure of Mouse Ubiquitin-like 3 Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-17 _Entry.Original_release_date 2011-08-17 _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 C. Zhao . . . 11257 2 K. Saito . . . 11257 3 S. Koshiba . . . 11257 4 M. Inoue . . . 11257 5 T. Kigawa . . . 11257 6 S. Yokoyama . . . 11257 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)' . 11257 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11257 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 445 11257 '15N chemical shifts' 102 11257 '1H chemical shifts' 710 11257 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 . . 2011-08-17 2010-08-09 original author . 11257 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WGH 'BMRB Entry Tracking System' 11257 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11257 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of Mouse Ubiquitin-like 3 Protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Zhao . . . 11257 1 2 K. Saito . . . 11257 1 3 S. Koshiba . . . 11257 1 4 M. Inoue . . . 11257 1 5 T. Kigawa . . . 11257 1 6 S. Yokoyama . . . 11257 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11257 _Assembly.ID 1 _Assembly.Name 'ubiquitin-like 3' _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 'Ubiquitin-like Fold' 1 $entity_1 A . yes native no no . . . 11257 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 1wgh . . . . . . 11257 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11257 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ubiquitin-like Fold' _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 ; GSSGSSGMSSHVPADMINLR LILVSGKTKEFLFSPNDSAS DIAKHVYDNWPMDWEEEQVS SPNILRLIYQGRFLHGNVTL GALKLPFGKTTVMHLVARET LPEPNSQGQRSGPSSG ; _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 1WGH . "Solution Structure Of Mouse Ubiquitin-Like 3 Protein" . . . . . 100.00 116 100.00 100.00 2.81e-78 . . . . 11257 1 2 no GB EMP31155 . "Ubiquitin-like protein 3, partial [Chelonia mydas]" . . . . . 78.45 339 98.90 100.00 2.02e-57 . . . . 11257 1 3 no GB KFO80335 . "Ubiquitin-like 3, partial [Cuculus canorus]" . . . . . 81.90 109 97.89 100.00 1.50e-62 . . . . 11257 1 4 no REF XP_009564834 . "PREDICTED: ubiquitin-like protein 3 [Cuculus canorus]" . . . . . 81.90 208 97.89 100.00 1.08e-61 . . . . 11257 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ubiquitin-like Fold' . 11257 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 . 11257 1 2 . SER . 11257 1 3 . SER . 11257 1 4 . GLY . 11257 1 5 . SER . 11257 1 6 . SER . 11257 1 7 . GLY . 11257 1 8 . MET . 11257 1 9 . SER . 11257 1 10 . SER . 11257 1 11 . HIS . 11257 1 12 . VAL . 11257 1 13 . PRO . 11257 1 14 . ALA . 11257 1 15 . ASP . 11257 1 16 . MET . 11257 1 17 . ILE . 11257 1 18 . ASN . 11257 1 19 . LEU . 11257 1 20 . ARG . 11257 1 21 . LEU . 11257 1 22 . ILE . 11257 1 23 . LEU . 11257 1 24 . VAL . 11257 1 25 . SER . 11257 1 26 . GLY . 11257 1 27 . LYS . 11257 1 28 . THR . 11257 1 29 . LYS . 11257 1 30 . GLU . 11257 1 31 . PHE . 11257 1 32 . LEU . 11257 1 33 . PHE . 11257 1 34 . SER . 11257 1 35 . PRO . 11257 1 36 . ASN . 11257 1 37 . ASP . 11257 1 38 . SER . 11257 1 39 . ALA . 11257 1 40 . SER . 11257 1 41 . ASP . 11257 1 42 . ILE . 11257 1 43 . ALA . 11257 1 44 . LYS . 11257 1 45 . HIS . 11257 1 46 . VAL . 11257 1 47 . TYR . 11257 1 48 . ASP . 11257 1 49 . ASN . 11257 1 50 . TRP . 11257 1 51 . PRO . 11257 1 52 . MET . 11257 1 53 . ASP . 11257 1 54 . TRP . 11257 1 55 . GLU . 11257 1 56 . GLU . 11257 1 57 . GLU . 11257 1 58 . GLN . 11257 1 59 . VAL . 11257 1 60 . SER . 11257 1 61 . SER . 11257 1 62 . PRO . 11257 1 63 . ASN . 11257 1 64 . ILE . 11257 1 65 . LEU . 11257 1 66 . ARG . 11257 1 67 . LEU . 11257 1 68 . ILE . 11257 1 69 . TYR . 11257 1 70 . GLN . 11257 1 71 . GLY . 11257 1 72 . ARG . 11257 1 73 . PHE . 11257 1 74 . LEU . 11257 1 75 . HIS . 11257 1 76 . GLY . 11257 1 77 . ASN . 11257 1 78 . VAL . 11257 1 79 . THR . 11257 1 80 . LEU . 11257 1 81 . GLY . 11257 1 82 . ALA . 11257 1 83 . LEU . 11257 1 84 . LYS . 11257 1 85 . LEU . 11257 1 86 . PRO . 11257 1 87 . PHE . 11257 1 88 . GLY . 11257 1 89 . LYS . 11257 1 90 . THR . 11257 1 91 . THR . 11257 1 92 . VAL . 11257 1 93 . MET . 11257 1 94 . HIS . 11257 1 95 . LEU . 11257 1 96 . VAL . 11257 1 97 . ALA . 11257 1 98 . ARG . 11257 1 99 . GLU . 11257 1 100 . THR . 11257 1 101 . LEU . 11257 1 102 . PRO . 11257 1 103 . GLU . 11257 1 104 . PRO . 11257 1 105 . ASN . 11257 1 106 . SER . 11257 1 107 . GLN . 11257 1 108 . GLY . 11257 1 109 . GLN . 11257 1 110 . ARG . 11257 1 111 . SER . 11257 1 112 . GLY . 11257 1 113 . PRO . 11257 1 114 . SER . 11257 1 115 . SER . 11257 1 116 . GLY . 11257 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 11257 1 . SER 2 2 11257 1 . SER 3 3 11257 1 . GLY 4 4 11257 1 . SER 5 5 11257 1 . SER 6 6 11257 1 . GLY 7 7 11257 1 . MET 8 8 11257 1 . SER 9 9 11257 1 . SER 10 10 11257 1 . HIS 11 11 11257 1 . VAL 12 12 11257 1 . PRO 13 13 11257 1 . ALA 14 14 11257 1 . ASP 15 15 11257 1 . MET 16 16 11257 1 . ILE 17 17 11257 1 . ASN 18 18 11257 1 . LEU 19 19 11257 1 . ARG 20 20 11257 1 . LEU 21 21 11257 1 . ILE 22 22 11257 1 . LEU 23 23 11257 1 . VAL 24 24 11257 1 . SER 25 25 11257 1 . GLY 26 26 11257 1 . LYS 27 27 11257 1 . THR 28 28 11257 1 . LYS 29 29 11257 1 . GLU 30 30 11257 1 . PHE 31 31 11257 1 . LEU 32 32 11257 1 . PHE 33 33 11257 1 . SER 34 34 11257 1 . PRO 35 35 11257 1 . ASN 36 36 11257 1 . ASP 37 37 11257 1 . SER 38 38 11257 1 . ALA 39 39 11257 1 . SER 40 40 11257 1 . ASP 41 41 11257 1 . ILE 42 42 11257 1 . ALA 43 43 11257 1 . LYS 44 44 11257 1 . HIS 45 45 11257 1 . VAL 46 46 11257 1 . TYR 47 47 11257 1 . ASP 48 48 11257 1 . ASN 49 49 11257 1 . TRP 50 50 11257 1 . PRO 51 51 11257 1 . MET 52 52 11257 1 . ASP 53 53 11257 1 . TRP 54 54 11257 1 . GLU 55 55 11257 1 . GLU 56 56 11257 1 . GLU 57 57 11257 1 . GLN 58 58 11257 1 . VAL 59 59 11257 1 . SER 60 60 11257 1 . SER 61 61 11257 1 . PRO 62 62 11257 1 . ASN 63 63 11257 1 . ILE 64 64 11257 1 . LEU 65 65 11257 1 . ARG 66 66 11257 1 . LEU 67 67 11257 1 . ILE 68 68 11257 1 . TYR 69 69 11257 1 . GLN 70 70 11257 1 . GLY 71 71 11257 1 . ARG 72 72 11257 1 . PHE 73 73 11257 1 . LEU 74 74 11257 1 . HIS 75 75 11257 1 . GLY 76 76 11257 1 . ASN 77 77 11257 1 . VAL 78 78 11257 1 . THR 79 79 11257 1 . LEU 80 80 11257 1 . GLY 81 81 11257 1 . ALA 82 82 11257 1 . LEU 83 83 11257 1 . LYS 84 84 11257 1 . LEU 85 85 11257 1 . PRO 86 86 11257 1 . PHE 87 87 11257 1 . GLY 88 88 11257 1 . LYS 89 89 11257 1 . THR 90 90 11257 1 . THR 91 91 11257 1 . VAL 92 92 11257 1 . MET 93 93 11257 1 . HIS 94 94 11257 1 . LEU 95 95 11257 1 . VAL 96 96 11257 1 . ALA 97 97 11257 1 . ARG 98 98 11257 1 . GLU 99 99 11257 1 . THR 100 100 11257 1 . LEU 101 101 11257 1 . PRO 102 102 11257 1 . GLU 103 103 11257 1 . PRO 104 104 11257 1 . ASN 105 105 11257 1 . SER 106 106 11257 1 . GLN 107 107 11257 1 . GLY 108 108 11257 1 . GLN 109 109 11257 1 . ARG 110 110 11257 1 . SER 111 111 11257 1 . GLY 112 112 11257 1 . PRO 113 113 11257 1 . SER 114 114 11257 1 . SER 115 115 11257 1 . GLY 116 116 11257 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 11257 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11257 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 11257 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P030414-75 . . . . . . 11257 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11257 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM PiNa {(pH6.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% {H2O;} 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 'Ubiquitin-like Fold' . . . 1 $entity_1 . protein . . . mM . . . . 11257 1 2 PiNa 'natural abundance' . . . . . buffer 20 . . mM . . . . 11257 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11257 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11257 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11257 1 6 H2O . . . . . . solvent 90 . . % . . . . 11257 1 7 D2O . . . . . . solvent 10 . . % . . . . 11257 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 11257 _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 11257 1 pH 6.0 0.05 pH 11257 1 pressure 1 0.001 atm 11257 1 temperature 298.0 0.1 K 11257 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11257 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11257 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11257 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11257 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11257 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11257 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11257 _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.' . . 11257 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11257 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11257 _Software.ID 4 _Software.Name Kujira _Software.Version 0.8996 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11257 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11257 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11257 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11257 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11257 5 'structure solution' 11257 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 11257 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11257 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11257 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 11257 _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 . . . . . . . . . . . . . . . . 11257 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11257 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 11257 _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 . . . . . . . . . 11257 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11257 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11257 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 11257 _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 11257 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11257 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 . . 11257 1 2 $NMRPipe . . 11257 1 3 $NMRview . . 11257 1 4 $Kujira . . 11257 1 5 $CYANA . . 11257 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 3 3 SER C C 13 175.111 0.300 . 1 . . . . 3 SER C . 11257 1 2 . 1 1 3 3 SER CA C 13 58.695 0.300 . 1 . . . . 3 SER CA . 11257 1 3 . 1 1 3 3 SER CB C 13 63.769 0.300 . 1 . . . . 3 SER CB . 11257 1 4 . 1 1 4 4 GLY H H 1 8.427 0.030 . 1 . . . . 4 GLY H . 11257 1 5 . 1 1 4 4 GLY C C 13 174.307 0.300 . 1 . . . . 4 GLY C . 11257 1 6 . 1 1 4 4 GLY CA C 13 45.434 0.300 . 1 . . . . 4 GLY CA . 11257 1 7 . 1 1 4 4 GLY N N 15 110.680 0.300 . 1 . . . . 4 GLY N . 11257 1 8 . 1 1 5 5 SER H H 1 8.295 0.030 . 1 . . . . 5 SER H . 11257 1 9 . 1 1 5 5 SER C C 13 174.860 0.300 . 1 . . . . 5 SER C . 11257 1 10 . 1 1 5 5 SER CA C 13 58.385 0.300 . 1 . . . . 5 SER CA . 11257 1 11 . 1 1 5 5 SER CB C 13 64.004 0.300 . 1 . . . . 5 SER CB . 11257 1 12 . 1 1 5 5 SER N N 15 115.825 0.300 . 1 . . . . 5 SER N . 11257 1 13 . 1 1 6 6 SER H H 1 8.582 0.030 . 1 . . . . 6 SER H . 11257 1 14 . 1 1 6 6 SER HA H 1 4.481 0.030 . 1 . . . . 6 SER HA . 11257 1 15 . 1 1 6 6 SER HB2 H 1 3.896 0.030 . 1 . . . . 6 SER HB2 . 11257 1 16 . 1 1 6 6 SER HB3 H 1 3.896 0.030 . 1 . . . . 6 SER HB3 . 11257 1 17 . 1 1 6 6 SER C C 13 175.066 0.300 . 1 . . . . 6 SER C . 11257 1 18 . 1 1 6 6 SER CA C 13 58.623 0.300 . 1 . . . . 6 SER CA . 11257 1 19 . 1 1 6 6 SER CB C 13 63.686 0.300 . 1 . . . . 6 SER CB . 11257 1 20 . 1 1 6 6 SER N N 15 118.223 0.300 . 1 . . . . 6 SER N . 11257 1 21 . 1 1 7 7 GLY H H 1 8.482 0.030 . 1 . . . . 7 GLY H . 11257 1 22 . 1 1 7 7 GLY HA2 H 1 3.953 0.030 . 1 . . . . 7 GLY HA2 . 11257 1 23 . 1 1 7 7 GLY HA3 H 1 3.953 0.030 . 1 . . . . 7 GLY HA3 . 11257 1 24 . 1 1 7 7 GLY C C 13 174.319 0.300 . 1 . . . . 7 GLY C . 11257 1 25 . 1 1 7 7 GLY CA C 13 45.453 0.300 . 1 . . . . 7 GLY CA . 11257 1 26 . 1 1 7 7 GLY N N 15 110.958 0.300 . 1 . . . . 7 GLY N . 11257 1 27 . 1 1 8 8 MET H H 1 8.201 0.030 . 1 . . . . 8 MET H . 11257 1 28 . 1 1 8 8 MET HA H 1 4.525 0.030 . 1 . . . . 8 MET HA . 11257 1 29 . 1 1 8 8 MET HB2 H 1 2.005 0.030 . 2 . . . . 8 MET HB2 . 11257 1 30 . 1 1 8 8 MET HB3 H 1 2.111 0.030 . 2 . . . . 8 MET HB3 . 11257 1 31 . 1 1 8 8 MET HG2 H 1 2.603 0.030 . 2 . . . . 8 MET HG2 . 11257 1 32 . 1 1 8 8 MET HG3 H 1 2.525 0.030 . 2 . . . . 8 MET HG3 . 11257 1 33 . 1 1 8 8 MET C C 13 176.472 0.300 . 1 . . . . 8 MET C . 11257 1 34 . 1 1 8 8 MET CA C 13 55.546 0.300 . 1 . . . . 8 MET CA . 11257 1 35 . 1 1 8 8 MET CB C 13 33.107 0.300 . 1 . . . . 8 MET CB . 11257 1 36 . 1 1 8 8 MET CG C 13 32.027 0.300 . 1 . . . . 8 MET CG . 11257 1 37 . 1 1 8 8 MET N N 15 119.876 0.300 . 1 . . . . 8 MET N . 11257 1 38 . 1 1 9 9 SER H H 1 8.435 0.030 . 1 . . . . 9 SER H . 11257 1 39 . 1 1 9 9 SER HA H 1 4.491 0.030 . 1 . . . . 9 SER HA . 11257 1 40 . 1 1 9 9 SER HB2 H 1 3.899 0.030 . 1 . . . . 9 SER HB2 . 11257 1 41 . 1 1 9 9 SER HB3 H 1 3.899 0.030 . 1 . . . . 9 SER HB3 . 11257 1 42 . 1 1 9 9 SER C C 13 174.580 0.300 . 1 . . . . 9 SER C . 11257 1 43 . 1 1 9 9 SER CA C 13 58.424 0.300 . 1 . . . . 9 SER CA . 11257 1 44 . 1 1 9 9 SER CB C 13 63.867 0.300 . 1 . . . . 9 SER CB . 11257 1 45 . 1 1 9 9 SER N N 15 117.315 0.300 . 1 . . . . 9 SER N . 11257 1 46 . 1 1 10 10 SER H H 1 8.320 0.030 . 1 . . . . 10 SER H . 11257 1 47 . 1 1 10 10 SER HA H 1 4.399 0.030 . 1 . . . . 10 SER HA . 11257 1 48 . 1 1 10 10 SER HB2 H 1 3.780 0.030 . 1 . . . . 10 SER HB2 . 11257 1 49 . 1 1 10 10 SER HB3 H 1 3.780 0.030 . 1 . . . . 10 SER HB3 . 11257 1 50 . 1 1 10 10 SER C C 13 174.008 0.300 . 1 . . . . 10 SER C . 11257 1 51 . 1 1 10 10 SER CA C 13 58.338 0.300 . 1 . . . . 10 SER CA . 11257 1 52 . 1 1 10 10 SER CB C 13 63.770 0.300 . 1 . . . . 10 SER CB . 11257 1 53 . 1 1 10 10 SER N N 15 117.740 0.300 . 1 . . . . 10 SER N . 11257 1 54 . 1 1 11 11 HIS H H 1 8.389 0.030 . 1 . . . . 11 HIS H . 11257 1 55 . 1 1 11 11 HIS HA H 1 4.656 0.030 . 1 . . . . 11 HIS HA . 11257 1 56 . 1 1 11 11 HIS HB2 H 1 3.096 0.030 . 1 . . . . 11 HIS HB2 . 11257 1 57 . 1 1 11 11 HIS HB3 H 1 3.096 0.030 . 1 . . . . 11 HIS HB3 . 11257 1 58 . 1 1 11 11 HIS HD2 H 1 7.102 0.030 . 1 . . . . 11 HIS HD2 . 11257 1 59 . 1 1 11 11 HIS HE1 H 1 8.241 0.030 . 1 . . . . 11 HIS HE1 . 11257 1 60 . 1 1 11 11 HIS C C 13 174.076 0.300 . 1 . . . . 11 HIS C . 11257 1 61 . 1 1 11 11 HIS CA C 13 55.693 0.300 . 1 . . . . 11 HIS CA . 11257 1 62 . 1 1 11 11 HIS CB C 13 29.831 0.300 . 1 . . . . 11 HIS CB . 11257 1 63 . 1 1 11 11 HIS CD2 C 13 120.149 0.300 . 1 . . . . 11 HIS CD2 . 11257 1 64 . 1 1 11 11 HIS CE1 C 13 137.241 0.300 . 1 . . . . 11 HIS CE1 . 11257 1 65 . 1 1 11 11 HIS N N 15 121.029 0.300 . 1 . . . . 11 HIS N . 11257 1 66 . 1 1 12 12 VAL H H 1 8.156 0.030 . 1 . . . . 12 VAL H . 11257 1 67 . 1 1 12 12 VAL HA H 1 4.198 0.030 . 1 . . . . 12 VAL HA . 11257 1 68 . 1 1 12 12 VAL HB H 1 1.789 0.030 . 1 . . . . 12 VAL HB . 11257 1 69 . 1 1 12 12 VAL HG11 H 1 0.721 0.030 . 1 . . . . 12 VAL HG1 . 11257 1 70 . 1 1 12 12 VAL HG12 H 1 0.721 0.030 . 1 . . . . 12 VAL HG1 . 11257 1 71 . 1 1 12 12 VAL HG13 H 1 0.721 0.030 . 1 . . . . 12 VAL HG1 . 11257 1 72 . 1 1 12 12 VAL HG21 H 1 0.839 0.030 . 1 . . . . 12 VAL HG2 . 11257 1 73 . 1 1 12 12 VAL HG22 H 1 0.839 0.030 . 1 . . . . 12 VAL HG2 . 11257 1 74 . 1 1 12 12 VAL HG23 H 1 0.839 0.030 . 1 . . . . 12 VAL HG2 . 11257 1 75 . 1 1 12 12 VAL C C 13 173.831 0.300 . 1 . . . . 12 VAL C . 11257 1 76 . 1 1 12 12 VAL CA C 13 59.894 0.300 . 1 . . . . 12 VAL CA . 11257 1 77 . 1 1 12 12 VAL CB C 13 33.337 0.300 . 1 . . . . 12 VAL CB . 11257 1 78 . 1 1 12 12 VAL CG1 C 13 21.180 0.300 . 2 . . . . 12 VAL CG1 . 11257 1 79 . 1 1 12 12 VAL CG2 C 13 20.871 0.300 . 2 . . . . 12 VAL CG2 . 11257 1 80 . 1 1 12 12 VAL N N 15 125.049 0.300 . 1 . . . . 12 VAL N . 11257 1 81 . 1 1 13 13 PRO HA H 1 4.338 0.030 . 1 . . . . 13 PRO HA . 11257 1 82 . 1 1 13 13 PRO HB2 H 1 2.456 0.030 . 2 . . . . 13 PRO HB2 . 11257 1 83 . 1 1 13 13 PRO HB3 H 1 1.782 0.030 . 2 . . . . 13 PRO HB3 . 11257 1 84 . 1 1 13 13 PRO HD2 H 1 3.412 0.030 . 2 . . . . 13 PRO HD2 . 11257 1 85 . 1 1 13 13 PRO HD3 H 1 3.969 0.030 . 2 . . . . 13 PRO HD3 . 11257 1 86 . 1 1 13 13 PRO HG2 H 1 2.084 0.030 . 2 . . . . 13 PRO HG2 . 11257 1 87 . 1 1 13 13 PRO HG3 H 1 1.969 0.030 . 2 . . . . 13 PRO HG3 . 11257 1 88 . 1 1 13 13 PRO C C 13 176.853 0.300 . 1 . . . . 13 PRO C . 11257 1 89 . 1 1 13 13 PRO CA C 13 63.329 0.300 . 1 . . . . 13 PRO CA . 11257 1 90 . 1 1 13 13 PRO CB C 13 32.541 0.300 . 1 . . . . 13 PRO CB . 11257 1 91 . 1 1 13 13 PRO CD C 13 51.604 0.300 . 1 . . . . 13 PRO CD . 11257 1 92 . 1 1 13 13 PRO CG C 13 27.810 0.300 . 1 . . . . 13 PRO CG . 11257 1 93 . 1 1 14 14 ALA H H 1 8.404 0.030 . 1 . . . . 14 ALA H . 11257 1 94 . 1 1 14 14 ALA HA H 1 4.062 0.030 . 1 . . . . 14 ALA HA . 11257 1 95 . 1 1 14 14 ALA HB1 H 1 1.439 0.030 . 1 . . . . 14 ALA HB . 11257 1 96 . 1 1 14 14 ALA HB2 H 1 1.439 0.030 . 1 . . . . 14 ALA HB . 11257 1 97 . 1 1 14 14 ALA HB3 H 1 1.439 0.030 . 1 . . . . 14 ALA HB . 11257 1 98 . 1 1 14 14 ALA C C 13 176.921 0.300 . 1 . . . . 14 ALA C . 11257 1 99 . 1 1 14 14 ALA CA C 13 54.050 0.300 . 1 . . . . 14 ALA CA . 11257 1 100 . 1 1 14 14 ALA CB C 13 19.090 0.300 . 1 . . . . 14 ALA CB . 11257 1 101 . 1 1 14 14 ALA N N 15 122.139 0.300 . 1 . . . . 14 ALA N . 11257 1 102 . 1 1 15 15 ASP H H 1 8.250 0.030 . 1 . . . . 15 ASP H . 11257 1 103 . 1 1 15 15 ASP HA H 1 4.381 0.030 . 1 . . . . 15 ASP HA . 11257 1 104 . 1 1 15 15 ASP HB2 H 1 2.822 0.030 . 2 . . . . 15 ASP HB2 . 11257 1 105 . 1 1 15 15 ASP HB3 H 1 2.434 0.030 . 2 . . . . 15 ASP HB3 . 11257 1 106 . 1 1 15 15 ASP C C 13 174.975 0.300 . 1 . . . . 15 ASP C . 11257 1 107 . 1 1 15 15 ASP CA C 13 52.563 0.300 . 1 . . . . 15 ASP CA . 11257 1 108 . 1 1 15 15 ASP CB C 13 40.128 0.300 . 1 . . . . 15 ASP CB . 11257 1 109 . 1 1 15 15 ASP N N 15 113.660 0.300 . 1 . . . . 15 ASP N . 11257 1 110 . 1 1 16 16 MET H H 1 7.561 0.030 . 1 . . . . 16 MET H . 11257 1 111 . 1 1 16 16 MET HA H 1 5.044 0.030 . 1 . . . . 16 MET HA . 11257 1 112 . 1 1 16 16 MET HB2 H 1 2.052 0.030 . 2 . . . . 16 MET HB2 . 11257 1 113 . 1 1 16 16 MET HB3 H 1 1.715 0.030 . 2 . . . . 16 MET HB3 . 11257 1 114 . 1 1 16 16 MET HE1 H 1 1.893 0.030 . 1 . . . . 16 MET HE . 11257 1 115 . 1 1 16 16 MET HE2 H 1 1.893 0.030 . 1 . . . . 16 MET HE . 11257 1 116 . 1 1 16 16 MET HE3 H 1 1.893 0.030 . 1 . . . . 16 MET HE . 11257 1 117 . 1 1 16 16 MET HG2 H 1 2.467 0.030 . 2 . . . . 16 MET HG2 . 11257 1 118 . 1 1 16 16 MET HG3 H 1 2.536 0.030 . 2 . . . . 16 MET HG3 . 11257 1 119 . 1 1 16 16 MET C C 13 173.844 0.300 . 1 . . . . 16 MET C . 11257 1 120 . 1 1 16 16 MET CA C 13 53.513 0.300 . 1 . . . . 16 MET CA . 11257 1 121 . 1 1 16 16 MET CB C 13 36.607 0.300 . 1 . . . . 16 MET CB . 11257 1 122 . 1 1 16 16 MET CE C 13 17.738 0.300 . 1 . . . . 16 MET CE . 11257 1 123 . 1 1 16 16 MET CG C 13 32.920 0.300 . 1 . . . . 16 MET CG . 11257 1 124 . 1 1 16 16 MET N N 15 116.127 0.300 . 1 . . . . 16 MET N . 11257 1 125 . 1 1 17 17 ILE H H 1 8.864 0.030 . 1 . . . . 17 ILE H . 11257 1 126 . 1 1 17 17 ILE HA H 1 4.153 0.030 . 1 . . . . 17 ILE HA . 11257 1 127 . 1 1 17 17 ILE HB H 1 1.466 0.030 . 1 . . . . 17 ILE HB . 11257 1 128 . 1 1 17 17 ILE HD11 H 1 0.535 0.030 . 1 . . . . 17 ILE HD1 . 11257 1 129 . 1 1 17 17 ILE HD12 H 1 0.535 0.030 . 1 . . . . 17 ILE HD1 . 11257 1 130 . 1 1 17 17 ILE HD13 H 1 0.535 0.030 . 1 . . . . 17 ILE HD1 . 11257 1 131 . 1 1 17 17 ILE HG12 H 1 0.894 0.030 . 2 . . . . 17 ILE HG12 . 11257 1 132 . 1 1 17 17 ILE HG13 H 1 1.230 0.030 . 2 . . . . 17 ILE HG13 . 11257 1 133 . 1 1 17 17 ILE HG21 H 1 0.854 0.030 . 1 . . . . 17 ILE HG2 . 11257 1 134 . 1 1 17 17 ILE HG22 H 1 0.854 0.030 . 1 . . . . 17 ILE HG2 . 11257 1 135 . 1 1 17 17 ILE HG23 H 1 0.854 0.030 . 1 . . . . 17 ILE HG2 . 11257 1 136 . 1 1 17 17 ILE C C 13 173.844 0.300 . 1 . . . . 17 ILE C . 11257 1 137 . 1 1 17 17 ILE CA C 13 60.820 0.300 . 1 . . . . 17 ILE CA . 11257 1 138 . 1 1 17 17 ILE CB C 13 41.543 0.300 . 1 . . . . 17 ILE CB . 11257 1 139 . 1 1 17 17 ILE CD1 C 13 14.954 0.300 . 1 . . . . 17 ILE CD1 . 11257 1 140 . 1 1 17 17 ILE CG1 C 13 28.314 0.300 . 1 . . . . 17 ILE CG1 . 11257 1 141 . 1 1 17 17 ILE CG2 C 13 18.021 0.300 . 1 . . . . 17 ILE CG2 . 11257 1 142 . 1 1 17 17 ILE N N 15 120.583 0.300 . 1 . . . . 17 ILE N . 11257 1 143 . 1 1 18 18 ASN H H 1 7.679 0.030 . 1 . . . . 18 ASN H . 11257 1 144 . 1 1 18 18 ASN HA H 1 5.364 0.030 . 1 . . . . 18 ASN HA . 11257 1 145 . 1 1 18 18 ASN HB2 H 1 2.817 0.030 . 2 . . . . 18 ASN HB2 . 11257 1 146 . 1 1 18 18 ASN HB3 H 1 2.256 0.030 . 2 . . . . 18 ASN HB3 . 11257 1 147 . 1 1 18 18 ASN HD21 H 1 7.413 0.030 . 2 . . . . 18 ASN HD21 . 11257 1 148 . 1 1 18 18 ASN HD22 H 1 6.722 0.030 . 2 . . . . 18 ASN HD22 . 11257 1 149 . 1 1 18 18 ASN C C 13 173.328 0.300 . 1 . . . . 18 ASN C . 11257 1 150 . 1 1 18 18 ASN CA C 13 52.195 0.300 . 1 . . . . 18 ASN CA . 11257 1 151 . 1 1 18 18 ASN CB C 13 40.941 0.300 . 1 . . . . 18 ASN CB . 11257 1 152 . 1 1 18 18 ASN N N 15 125.295 0.300 . 1 . . . . 18 ASN N . 11257 1 153 . 1 1 18 18 ASN ND2 N 15 112.873 0.300 . 1 . . . . 18 ASN ND2 . 11257 1 154 . 1 1 19 19 LEU H H 1 9.512 0.030 . 1 . . . . 19 LEU H . 11257 1 155 . 1 1 19 19 LEU HA H 1 5.467 0.030 . 1 . . . . 19 LEU HA . 11257 1 156 . 1 1 19 19 LEU HB2 H 1 1.875 0.030 . 2 . . . . 19 LEU HB2 . 11257 1 157 . 1 1 19 19 LEU HB3 H 1 1.671 0.030 . 2 . . . . 19 LEU HB3 . 11257 1 158 . 1 1 19 19 LEU HD11 H 1 0.907 0.030 . 1 . . . . 19 LEU HD1 . 11257 1 159 . 1 1 19 19 LEU HD12 H 1 0.907 0.030 . 1 . . . . 19 LEU HD1 . 11257 1 160 . 1 1 19 19 LEU HD13 H 1 0.907 0.030 . 1 . . . . 19 LEU HD1 . 11257 1 161 . 1 1 19 19 LEU HD21 H 1 0.814 0.030 . 1 . . . . 19 LEU HD2 . 11257 1 162 . 1 1 19 19 LEU HD22 H 1 0.814 0.030 . 1 . . . . 19 LEU HD2 . 11257 1 163 . 1 1 19 19 LEU HD23 H 1 0.814 0.030 . 1 . . . . 19 LEU HD2 . 11257 1 164 . 1 1 19 19 LEU HG H 1 1.744 0.030 . 1 . . . . 19 LEU HG . 11257 1 165 . 1 1 19 19 LEU C C 13 175.478 0.300 . 1 . . . . 19 LEU C . 11257 1 166 . 1 1 19 19 LEU CA C 13 52.678 0.300 . 1 . . . . 19 LEU CA . 11257 1 167 . 1 1 19 19 LEU CB C 13 44.785 0.300 . 1 . . . . 19 LEU CB . 11257 1 168 . 1 1 19 19 LEU CD1 C 13 25.627 0.300 . 2 . . . . 19 LEU CD1 . 11257 1 169 . 1 1 19 19 LEU CD2 C 13 25.003 0.300 . 2 . . . . 19 LEU CD2 . 11257 1 170 . 1 1 19 19 LEU CG C 13 27.186 0.300 . 1 . . . . 19 LEU CG . 11257 1 171 . 1 1 19 19 LEU N N 15 127.697 0.300 . 1 . . . . 19 LEU N . 11257 1 172 . 1 1 20 20 ARG H H 1 8.908 0.030 . 1 . . . . 20 ARG H . 11257 1 173 . 1 1 20 20 ARG HA H 1 4.623 0.030 . 1 . . . . 20 ARG HA . 11257 1 174 . 1 1 20 20 ARG HB2 H 1 1.436 0.030 . 2 . . . . 20 ARG HB2 . 11257 1 175 . 1 1 20 20 ARG HB3 H 1 1.728 0.030 . 2 . . . . 20 ARG HB3 . 11257 1 176 . 1 1 20 20 ARG HD2 H 1 3.139 0.030 . 2 . . . . 20 ARG HD2 . 11257 1 177 . 1 1 20 20 ARG HD3 H 1 3.232 0.030 . 2 . . . . 20 ARG HD3 . 11257 1 178 . 1 1 20 20 ARG HE H 1 7.590 0.030 . 1 . . . . 20 ARG HE . 11257 1 179 . 1 1 20 20 ARG HG2 H 1 1.375 0.030 . 2 . . . . 20 ARG HG2 . 11257 1 180 . 1 1 20 20 ARG HG3 H 1 1.316 0.030 . 2 . . . . 20 ARG HG3 . 11257 1 181 . 1 1 20 20 ARG C C 13 173.532 0.300 . 1 . . . . 20 ARG C . 11257 1 182 . 1 1 20 20 ARG CA C 13 55.197 0.300 . 1 . . . . 20 ARG CA . 11257 1 183 . 1 1 20 20 ARG CB C 13 31.551 0.300 . 1 . . . . 20 ARG CB . 11257 1 184 . 1 1 20 20 ARG CD C 13 43.400 0.300 . 1 . . . . 20 ARG CD . 11257 1 185 . 1 1 20 20 ARG CG C 13 28.122 0.300 . 1 . . . . 20 ARG CG . 11257 1 186 . 1 1 20 20 ARG N N 15 125.887 0.300 . 1 . . . . 20 ARG N . 11257 1 187 . 1 1 20 20 ARG NE N 15 83.991 0.300 . 1 . . . . 20 ARG NE . 11257 1 188 . 1 1 21 21 LEU H H 1 8.861 0.030 . 1 . . . . 21 LEU H . 11257 1 189 . 1 1 21 21 LEU HA H 1 5.353 0.030 . 1 . . . . 21 LEU HA . 11257 1 190 . 1 1 21 21 LEU HB2 H 1 2.350 0.030 . 2 . . . . 21 LEU HB2 . 11257 1 191 . 1 1 21 21 LEU HB3 H 1 1.352 0.030 . 2 . . . . 21 LEU HB3 . 11257 1 192 . 1 1 21 21 LEU HD11 H 1 0.855 0.030 . 1 . . . . 21 LEU HD1 . 11257 1 193 . 1 1 21 21 LEU HD12 H 1 0.855 0.030 . 1 . . . . 21 LEU HD1 . 11257 1 194 . 1 1 21 21 LEU HD13 H 1 0.855 0.030 . 1 . . . . 21 LEU HD1 . 11257 1 195 . 1 1 21 21 LEU HD21 H 1 0.967 0.030 . 1 . . . . 21 LEU HD2 . 11257 1 196 . 1 1 21 21 LEU HD22 H 1 0.967 0.030 . 1 . . . . 21 LEU HD2 . 11257 1 197 . 1 1 21 21 LEU HD23 H 1 0.967 0.030 . 1 . . . . 21 LEU HD2 . 11257 1 198 . 1 1 21 21 LEU HG H 1 1.964 0.030 . 1 . . . . 21 LEU HG . 11257 1 199 . 1 1 21 21 LEU C C 13 176.281 0.300 . 1 . . . . 21 LEU C . 11257 1 200 . 1 1 21 21 LEU CA C 13 53.415 0.300 . 1 . . . . 21 LEU CA . 11257 1 201 . 1 1 21 21 LEU CB C 13 43.906 0.300 . 1 . . . . 21 LEU CB . 11257 1 202 . 1 1 21 21 LEU CD1 C 13 25.939 0.300 . 2 . . . . 21 LEU CD1 . 11257 1 203 . 1 1 21 21 LEU CD2 C 13 27.186 0.300 . 2 . . . . 21 LEU CD2 . 11257 1 204 . 1 1 21 21 LEU CG C 13 27.182 0.300 . 1 . . . . 21 LEU CG . 11257 1 205 . 1 1 21 21 LEU N N 15 126.093 0.300 . 1 . . . . 21 LEU N . 11257 1 206 . 1 1 22 22 ILE H H 1 7.893 0.030 . 1 . . . . 22 ILE H . 11257 1 207 . 1 1 22 22 ILE HA H 1 4.814 0.030 . 1 . . . . 22 ILE HA . 11257 1 208 . 1 1 22 22 ILE HB H 1 1.085 0.030 . 1 . . . . 22 ILE HB . 11257 1 209 . 1 1 22 22 ILE HD11 H 1 0.613 0.030 . 1 . . . . 22 ILE HD1 . 11257 1 210 . 1 1 22 22 ILE HD12 H 1 0.613 0.030 . 1 . . . . 22 ILE HD1 . 11257 1 211 . 1 1 22 22 ILE HD13 H 1 0.613 0.030 . 1 . . . . 22 ILE HD1 . 11257 1 212 . 1 1 22 22 ILE HG12 H 1 1.432 0.030 . 1 . . . . 22 ILE HG12 . 11257 1 213 . 1 1 22 22 ILE HG13 H 1 1.432 0.030 . 1 . . . . 22 ILE HG13 . 11257 1 214 . 1 1 22 22 ILE HG21 H 1 0.897 0.030 . 1 . . . . 22 ILE HG2 . 11257 1 215 . 1 1 22 22 ILE HG22 H 1 0.897 0.030 . 1 . . . . 22 ILE HG2 . 11257 1 216 . 1 1 22 22 ILE HG23 H 1 0.897 0.030 . 1 . . . . 22 ILE HG2 . 11257 1 217 . 1 1 22 22 ILE C C 13 177.316 0.300 . 1 . . . . 22 ILE C . 11257 1 218 . 1 1 22 22 ILE CA C 13 60.246 0.300 . 1 . . . . 22 ILE CA . 11257 1 219 . 1 1 22 22 ILE CB C 13 40.299 0.300 . 1 . . . . 22 ILE CB . 11257 1 220 . 1 1 22 22 ILE CD1 C 13 14.364 0.300 . 1 . . . . 22 ILE CD1 . 11257 1 221 . 1 1 22 22 ILE CG1 C 13 26.413 0.300 . 1 . . . . 22 ILE CG1 . 11257 1 222 . 1 1 22 22 ILE CG2 C 13 16.375 0.300 . 1 . . . . 22 ILE CG2 . 11257 1 223 . 1 1 22 22 ILE N N 15 120.171 0.300 . 1 . . . . 22 ILE N . 11257 1 224 . 1 1 23 23 LEU H H 1 8.571 0.030 . 1 . . . . 23 LEU H . 11257 1 225 . 1 1 23 23 LEU HA H 1 4.826 0.030 . 1 . . . . 23 LEU HA . 11257 1 226 . 1 1 23 23 LEU HB2 H 1 1.438 0.030 . 2 . . . . 23 LEU HB2 . 11257 1 227 . 1 1 23 23 LEU HB3 H 1 1.657 0.030 . 2 . . . . 23 LEU HB3 . 11257 1 228 . 1 1 23 23 LEU HD11 H 1 -0.284 0.030 . 1 . . . . 23 LEU HD1 . 11257 1 229 . 1 1 23 23 LEU HD12 H 1 -0.284 0.030 . 1 . . . . 23 LEU HD1 . 11257 1 230 . 1 1 23 23 LEU HD13 H 1 -0.284 0.030 . 1 . . . . 23 LEU HD1 . 11257 1 231 . 1 1 23 23 LEU HD21 H 1 0.287 0.030 . 1 . . . . 23 LEU HD2 . 11257 1 232 . 1 1 23 23 LEU HD22 H 1 0.287 0.030 . 1 . . . . 23 LEU HD2 . 11257 1 233 . 1 1 23 23 LEU HD23 H 1 0.287 0.030 . 1 . . . . 23 LEU HD2 . 11257 1 234 . 1 1 23 23 LEU HG H 1 2.163 0.030 . 1 . . . . 23 LEU HG . 11257 1 235 . 1 1 23 23 LEU C C 13 180.821 0.300 . 1 . . . . 23 LEU C . 11257 1 236 . 1 1 23 23 LEU CA C 13 54.439 0.300 . 1 . . . . 23 LEU CA . 11257 1 237 . 1 1 23 23 LEU CB C 13 43.725 0.300 . 1 . . . . 23 LEU CB . 11257 1 238 . 1 1 23 23 LEU CD1 C 13 24.258 0.300 . 2 . . . . 23 LEU CD1 . 11257 1 239 . 1 1 23 23 LEU CD2 C 13 22.197 0.300 . 2 . . . . 23 LEU CD2 . 11257 1 240 . 1 1 23 23 LEU N N 15 127.017 0.300 . 1 . . . . 23 LEU N . 11257 1 241 . 1 1 24 24 VAL H H 1 9.450 0.030 . 1 . . . . 24 VAL H . 11257 1 242 . 1 1 24 24 VAL HA H 1 3.941 0.030 . 1 . . . . 24 VAL HA . 11257 1 243 . 1 1 24 24 VAL HB H 1 2.273 0.030 . 1 . . . . 24 VAL HB . 11257 1 244 . 1 1 24 24 VAL HG11 H 1 1.171 0.030 . 1 . . . . 24 VAL HG1 . 11257 1 245 . 1 1 24 24 VAL HG12 H 1 1.171 0.030 . 1 . . . . 24 VAL HG1 . 11257 1 246 . 1 1 24 24 VAL HG13 H 1 1.171 0.030 . 1 . . . . 24 VAL HG1 . 11257 1 247 . 1 1 24 24 VAL HG21 H 1 1.124 0.030 . 1 . . . . 24 VAL HG2 . 11257 1 248 . 1 1 24 24 VAL HG22 H 1 1.124 0.030 . 1 . . . . 24 VAL HG2 . 11257 1 249 . 1 1 24 24 VAL HG23 H 1 1.124 0.030 . 1 . . . . 24 VAL HG2 . 11257 1 250 . 1 1 24 24 VAL C C 13 176.771 0.300 . 1 . . . . 24 VAL C . 11257 1 251 . 1 1 24 24 VAL CA C 13 65.641 0.300 . 1 . . . . 24 VAL CA . 11257 1 252 . 1 1 24 24 VAL CB C 13 31.551 0.300 . 1 . . . . 24 VAL CB . 11257 1 253 . 1 1 24 24 VAL CG1 C 13 21.573 0.300 . 2 . . . . 24 VAL CG1 . 11257 1 254 . 1 1 24 24 VAL CG2 C 13 20.950 0.300 . 2 . . . . 24 VAL CG2 . 11257 1 255 . 1 1 24 24 VAL N N 15 122.573 0.300 . 1 . . . . 24 VAL N . 11257 1 256 . 1 1 25 25 SER H H 1 7.530 0.030 . 1 . . . . 25 SER H . 11257 1 257 . 1 1 25 25 SER HA H 1 4.323 0.030 . 1 . . . . 25 SER HA . 11257 1 258 . 1 1 25 25 SER HB2 H 1 3.978 0.030 . 1 . . . . 25 SER HB2 . 11257 1 259 . 1 1 25 25 SER HB3 H 1 3.978 0.030 . 1 . . . . 25 SER HB3 . 11257 1 260 . 1 1 25 25 SER C C 13 176.096 0.300 . 1 . . . . 25 SER C . 11257 1 261 . 1 1 25 25 SER CA C 13 58.061 0.300 . 1 . . . . 25 SER CA . 11257 1 262 . 1 1 25 25 SER CB C 13 64.046 0.300 . 1 . . . . 25 SER CB . 11257 1 263 . 1 1 26 26 GLY H H 1 8.238 0.030 . 1 . . . . 26 GLY H . 11257 1 264 . 1 1 26 26 GLY HA2 H 1 4.454 0.030 . 2 . . . . 26 GLY HA2 . 11257 1 265 . 1 1 26 26 GLY HA3 H 1 3.484 0.030 . 2 . . . . 26 GLY HA3 . 11257 1 266 . 1 1 26 26 GLY C C 13 174.239 0.300 . 1 . . . . 26 GLY C . 11257 1 267 . 1 1 26 26 GLY CA C 13 44.759 0.300 . 1 . . . . 26 GLY CA . 11257 1 268 . 1 1 26 26 GLY N N 15 110.940 0.300 . 1 . . . . 26 GLY N . 11257 1 269 . 1 1 27 27 LYS H H 1 6.862 0.030 . 1 . . . . 27 LYS H . 11257 1 270 . 1 1 27 27 LYS HA H 1 4.288 0.030 . 1 . . . . 27 LYS HA . 11257 1 271 . 1 1 27 27 LYS HB2 H 1 1.897 0.030 . 1 . . . . 27 LYS HB2 . 11257 1 272 . 1 1 27 27 LYS HB3 H 1 1.897 0.030 . 1 . . . . 27 LYS HB3 . 11257 1 273 . 1 1 27 27 LYS HG2 H 1 1.450 0.030 . 2 . . . . 27 LYS HG2 . 11257 1 274 . 1 1 27 27 LYS HG3 H 1 1.388 0.030 . 2 . . . . 27 LYS HG3 . 11257 1 275 . 1 1 27 27 LYS C C 13 175.356 0.300 . 1 . . . . 27 LYS C . 11257 1 276 . 1 1 27 27 LYS CA C 13 57.740 0.300 . 1 . . . . 27 LYS CA . 11257 1 277 . 1 1 27 27 LYS CB C 13 33.775 0.300 . 1 . . . . 27 LYS CB . 11257 1 278 . 1 1 27 27 LYS CG C 13 25.920 0.300 . 1 . . . . 27 LYS CG . 11257 1 279 . 1 1 27 27 LYS N N 15 120.909 0.300 . 1 . . . . 27 LYS N . 11257 1 280 . 1 1 28 28 THR H H 1 8.414 0.030 . 1 . . . . 28 THR H . 11257 1 281 . 1 1 28 28 THR HA H 1 5.982 0.030 . 1 . . . . 28 THR HA . 11257 1 282 . 1 1 28 28 THR HB H 1 3.950 0.030 . 1 . . . . 28 THR HB . 11257 1 283 . 1 1 28 28 THR HG21 H 1 1.185 0.030 . 1 . . . . 28 THR HG2 . 11257 1 284 . 1 1 28 28 THR HG22 H 1 1.185 0.030 . 1 . . . . 28 THR HG2 . 11257 1 285 . 1 1 28 28 THR HG23 H 1 1.185 0.030 . 1 . . . . 28 THR HG2 . 11257 1 286 . 1 1 28 28 THR CA C 13 60.676 0.300 . 1 . . . . 28 THR CA . 11257 1 287 . 1 1 28 28 THR CB C 13 72.691 0.300 . 1 . . . . 28 THR CB . 11257 1 288 . 1 1 28 28 THR CG2 C 13 20.950 0.300 . 1 . . . . 28 THR CG2 . 11257 1 289 . 1 1 28 28 THR N N 15 112.557 0.300 . 1 . . . . 28 THR N . 11257 1 290 . 1 1 29 29 LYS H H 1 8.822 0.030 . 1 . . . . 29 LYS H . 11257 1 291 . 1 1 29 29 LYS HA H 1 4.652 0.030 . 1 . . . . 29 LYS HA . 11257 1 292 . 1 1 30 30 GLU H H 1 7.840 0.030 . 1 . . . . 30 GLU H . 11257 1 293 . 1 1 30 30 GLU HA H 1 5.633 0.030 . 1 . . . . 30 GLU HA . 11257 1 294 . 1 1 30 30 GLU HB2 H 1 2.094 0.030 . 2 . . . . 30 GLU HB2 . 11257 1 295 . 1 1 30 30 GLU HB3 H 1 1.727 0.030 . 2 . . . . 30 GLU HB3 . 11257 1 296 . 1 1 30 30 GLU HG2 H 1 1.934 0.030 . 2 . . . . 30 GLU HG2 . 11257 1 297 . 1 1 30 30 GLU HG3 H 1 2.319 0.030 . 2 . . . . 30 GLU HG3 . 11257 1 298 . 1 1 30 30 GLU C C 13 175.655 0.300 . 1 . . . . 30 GLU C . 11257 1 299 . 1 1 30 30 GLU CA C 13 54.689 0.300 . 1 . . . . 30 GLU CA . 11257 1 300 . 1 1 30 30 GLU CB C 13 30.738 0.300 . 1 . . . . 30 GLU CB . 11257 1 301 . 1 1 30 30 GLU CG C 13 36.801 0.300 . 1 . . . . 30 GLU CG . 11257 1 302 . 1 1 31 31 PHE H H 1 9.056 0.030 . 1 . . . . 31 PHE H . 11257 1 303 . 1 1 31 31 PHE HA H 1 4.499 0.030 . 1 . . . . 31 PHE HA . 11257 1 304 . 1 1 31 31 PHE HB2 H 1 2.586 0.030 . 2 . . . . 31 PHE HB2 . 11257 1 305 . 1 1 31 31 PHE HB3 H 1 2.692 0.030 . 2 . . . . 31 PHE HB3 . 11257 1 306 . 1 1 31 31 PHE HD1 H 1 7.287 0.030 . 1 . . . . 31 PHE HD1 . 11257 1 307 . 1 1 31 31 PHE HD2 H 1 7.287 0.030 . 1 . . . . 31 PHE HD2 . 11257 1 308 . 1 1 31 31 PHE HE1 H 1 7.093 0.030 . 1 . . . . 31 PHE HE1 . 11257 1 309 . 1 1 31 31 PHE HE2 H 1 7.093 0.030 . 1 . . . . 31 PHE HE2 . 11257 1 310 . 1 1 31 31 PHE HZ H 1 6.687 0.030 . 1 . . . . 31 PHE HZ . 11257 1 311 . 1 1 31 31 PHE C C 13 172.906 0.300 . 1 . . . . 31 PHE C . 11257 1 312 . 1 1 31 31 PHE CA C 13 56.900 0.300 . 1 . . . . 31 PHE CA . 11257 1 313 . 1 1 31 31 PHE CB C 13 46.193 0.300 . 1 . . . . 31 PHE CB . 11257 1 314 . 1 1 31 31 PHE CD1 C 13 132.514 0.300 . 1 . . . . 31 PHE CD1 . 11257 1 315 . 1 1 31 31 PHE CD2 C 13 132.514 0.300 . 1 . . . . 31 PHE CD2 . 11257 1 316 . 1 1 31 31 PHE CE1 C 13 130.898 0.300 . 1 . . . . 31 PHE CE1 . 11257 1 317 . 1 1 31 31 PHE CE2 C 13 130.898 0.300 . 1 . . . . 31 PHE CE2 . 11257 1 318 . 1 1 31 31 PHE CZ C 13 128.922 0.300 . 1 . . . . 31 PHE CZ . 11257 1 319 . 1 1 31 31 PHE N N 15 120.597 0.300 . 1 . . . . 31 PHE N . 11257 1 320 . 1 1 32 32 LEU H H 1 7.923 0.030 . 1 . . . . 32 LEU H . 11257 1 321 . 1 1 32 32 LEU HA H 1 4.978 0.030 . 1 . . . . 32 LEU HA . 11257 1 322 . 1 1 32 32 LEU HB2 H 1 1.228 0.030 . 2 . . . . 32 LEU HB2 . 11257 1 323 . 1 1 32 32 LEU HB3 H 1 1.544 0.030 . 2 . . . . 32 LEU HB3 . 11257 1 324 . 1 1 32 32 LEU HD11 H 1 0.784 0.030 . 1 . . . . 32 LEU HD1 . 11257 1 325 . 1 1 32 32 LEU HD12 H 1 0.784 0.030 . 1 . . . . 32 LEU HD1 . 11257 1 326 . 1 1 32 32 LEU HD13 H 1 0.784 0.030 . 1 . . . . 32 LEU HD1 . 11257 1 327 . 1 1 32 32 LEU HD21 H 1 0.812 0.030 . 1 . . . . 32 LEU HD2 . 11257 1 328 . 1 1 32 32 LEU HD22 H 1 0.812 0.030 . 1 . . . . 32 LEU HD2 . 11257 1 329 . 1 1 32 32 LEU HD23 H 1 0.812 0.030 . 1 . . . . 32 LEU HD2 . 11257 1 330 . 1 1 32 32 LEU HG H 1 1.609 0.030 . 1 . . . . 32 LEU HG . 11257 1 331 . 1 1 32 32 LEU C C 13 176.322 0.300 . 1 . . . . 32 LEU C . 11257 1 332 . 1 1 32 32 LEU CA C 13 54.146 0.300 . 1 . . . . 32 LEU CA . 11257 1 333 . 1 1 32 32 LEU CB C 13 44.030 0.300 . 1 . . . . 32 LEU CB . 11257 1 334 . 1 1 32 32 LEU CD2 C 13 25.003 0.300 . 2 . . . . 32 LEU CD2 . 11257 1 335 . 1 1 32 32 LEU CG C 13 26.564 0.300 . 1 . . . . 32 LEU CG . 11257 1 336 . 1 1 32 32 LEU N N 15 121.137 0.300 . 1 . . . . 32 LEU N . 11257 1 337 . 1 1 33 33 PHE H H 1 9.163 0.030 . 1 . . . . 33 PHE H . 11257 1 338 . 1 1 33 33 PHE HA H 1 4.821 0.030 . 1 . . . . 33 PHE HA . 11257 1 339 . 1 1 33 33 PHE HB2 H 1 3.728 0.030 . 2 . . . . 33 PHE HB2 . 11257 1 340 . 1 1 33 33 PHE HB3 H 1 2.228 0.030 . 2 . . . . 33 PHE HB3 . 11257 1 341 . 1 1 33 33 PHE HD1 H 1 7.262 0.030 . 1 . . . . 33 PHE HD1 . 11257 1 342 . 1 1 33 33 PHE HD2 H 1 7.262 0.030 . 1 . . . . 33 PHE HD2 . 11257 1 343 . 1 1 33 33 PHE HE1 H 1 6.780 0.030 . 1 . . . . 33 PHE HE1 . 11257 1 344 . 1 1 33 33 PHE HE2 H 1 6.780 0.030 . 1 . . . . 33 PHE HE2 . 11257 1 345 . 1 1 33 33 PHE HZ H 1 6.824 0.030 . 1 . . . . 33 PHE HZ . 11257 1 346 . 1 1 33 33 PHE C C 13 173.192 0.300 . 1 . . . . 33 PHE C . 11257 1 347 . 1 1 33 33 PHE CA C 13 57.830 0.300 . 1 . . . . 33 PHE CA . 11257 1 348 . 1 1 33 33 PHE CB C 13 45.279 0.300 . 1 . . . . 33 PHE CB . 11257 1 349 . 1 1 33 33 PHE CD1 C 13 132.239 0.300 . 1 . . . . 33 PHE CD1 . 11257 1 350 . 1 1 33 33 PHE CD2 C 13 132.239 0.300 . 1 . . . . 33 PHE CD2 . 11257 1 351 . 1 1 33 33 PHE CE1 C 13 128.226 0.300 . 1 . . . . 33 PHE CE1 . 11257 1 352 . 1 1 33 33 PHE CE2 C 13 128.226 0.300 . 1 . . . . 33 PHE CE2 . 11257 1 353 . 1 1 33 33 PHE CZ C 13 131.284 0.300 . 1 . . . . 33 PHE CZ . 11257 1 354 . 1 1 33 33 PHE N N 15 121.369 0.300 . 1 . . . . 33 PHE N . 11257 1 355 . 1 1 34 34 SER H H 1 9.309 0.030 . 1 . . . . 34 SER H . 11257 1 356 . 1 1 34 34 SER HA H 1 5.265 0.030 . 1 . . . . 34 SER HA . 11257 1 357 . 1 1 34 34 SER HB2 H 1 4.148 0.030 . 2 . . . . 34 SER HB2 . 11257 1 358 . 1 1 34 34 SER HB3 H 1 3.900 0.030 . 2 . . . . 34 SER HB3 . 11257 1 359 . 1 1 34 34 SER C C 13 174.348 0.300 . 1 . . . . 34 SER C . 11257 1 360 . 1 1 34 34 SER CA C 13 55.481 0.300 . 1 . . . . 34 SER CA . 11257 1 361 . 1 1 34 34 SER CB C 13 64.826 0.300 . 1 . . . . 34 SER CB . 11257 1 362 . 1 1 34 34 SER N N 15 116.842 0.300 . 1 . . . . 34 SER N . 11257 1 363 . 1 1 35 35 PRO HA H 1 4.215 0.030 . 1 . . . . 35 PRO HA . 11257 1 364 . 1 1 35 35 PRO HB2 H 1 2.151 0.030 . 2 . . . . 35 PRO HB2 . 11257 1 365 . 1 1 35 35 PRO HB3 H 1 2.059 0.030 . 2 . . . . 35 PRO HB3 . 11257 1 366 . 1 1 35 35 PRO HD2 H 1 3.625 0.030 . 2 . . . . 35 PRO HD2 . 11257 1 367 . 1 1 35 35 PRO HD3 H 1 4.116 0.030 . 2 . . . . 35 PRO HD3 . 11257 1 368 . 1 1 35 35 PRO HG2 H 1 1.986 0.030 . 2 . . . . 35 PRO HG2 . 11257 1 369 . 1 1 35 35 PRO HG3 H 1 1.905 0.030 . 2 . . . . 35 PRO HG3 . 11257 1 370 . 1 1 35 35 PRO C C 13 176.472 0.300 . 1 . . . . 35 PRO C . 11257 1 371 . 1 1 35 35 PRO CA C 13 64.195 0.300 . 1 . . . . 35 PRO CA . 11257 1 372 . 1 1 35 35 PRO CB C 13 31.863 0.300 . 1 . . . . 35 PRO CB . 11257 1 373 . 1 1 35 35 PRO CD C 13 50.795 0.300 . 1 . . . . 35 PRO CD . 11257 1 374 . 1 1 35 35 PRO CG C 13 28.121 0.300 . 1 . . . . 35 PRO CG . 11257 1 375 . 1 1 36 36 ASN H H 1 8.088 0.030 . 1 . . . . 36 ASN H . 11257 1 376 . 1 1 36 36 ASN HA H 1 4.676 0.030 . 1 . . . . 36 ASN HA . 11257 1 377 . 1 1 36 36 ASN HB2 H 1 2.972 0.030 . 2 . . . . 36 ASN HB2 . 11257 1 378 . 1 1 36 36 ASN HB3 H 1 2.680 0.030 . 2 . . . . 36 ASN HB3 . 11257 1 379 . 1 1 36 36 ASN HD21 H 1 7.657 0.030 . 2 . . . . 36 ASN HD21 . 11257 1 380 . 1 1 36 36 ASN HD22 H 1 7.020 0.030 . 2 . . . . 36 ASN HD22 . 11257 1 381 . 1 1 36 36 ASN C C 13 174.824 0.300 . 1 . . . . 36 ASN C . 11257 1 382 . 1 1 36 36 ASN CA C 13 53.435 0.300 . 1 . . . . 36 ASN CA . 11257 1 383 . 1 1 36 36 ASN CB C 13 38.908 0.300 . 1 . . . . 36 ASN CB . 11257 1 384 . 1 1 36 36 ASN N N 15 113.009 0.300 . 1 . . . . 36 ASN N . 11257 1 385 . 1 1 36 36 ASN ND2 N 15 113.935 0.300 . 1 . . . . 36 ASN ND2 . 11257 1 386 . 1 1 37 37 ASP H H 1 7.731 0.030 . 1 . . . . 37 ASP H . 11257 1 387 . 1 1 37 37 ASP HA H 1 4.794 0.030 . 1 . . . . 37 ASP HA . 11257 1 388 . 1 1 37 37 ASP HB2 H 1 2.894 0.030 . 2 . . . . 37 ASP HB2 . 11257 1 389 . 1 1 37 37 ASP HB3 H 1 2.326 0.030 . 2 . . . . 37 ASP HB3 . 11257 1 390 . 1 1 37 37 ASP C C 13 174.811 0.300 . 1 . . . . 37 ASP C . 11257 1 391 . 1 1 37 37 ASP CA C 13 55.850 0.300 . 1 . . . . 37 ASP CA . 11257 1 392 . 1 1 37 37 ASP CB C 13 41.477 0.300 . 1 . . . . 37 ASP CB . 11257 1 393 . 1 1 37 37 ASP N N 15 121.399 0.300 . 1 . . . . 37 ASP N . 11257 1 394 . 1 1 38 38 SER H H 1 9.194 0.030 . 1 . . . . 38 SER H . 11257 1 395 . 1 1 38 38 SER HA H 1 5.222 0.030 . 1 . . . . 38 SER HA . 11257 1 396 . 1 1 38 38 SER HB2 H 1 3.829 0.030 . 2 . . . . 38 SER HB2 . 11257 1 397 . 1 1 38 38 SER HB3 H 1 4.395 0.030 . 2 . . . . 38 SER HB3 . 11257 1 398 . 1 1 38 38 SER C C 13 175.573 0.300 . 1 . . . . 38 SER C . 11257 1 399 . 1 1 38 38 SER CA C 13 55.704 0.300 . 1 . . . . 38 SER CA . 11257 1 400 . 1 1 38 38 SER CB C 13 66.910 0.300 . 1 . . . . 38 SER CB . 11257 1 401 . 1 1 38 38 SER N N 15 117.681 0.300 . 1 . . . . 38 SER N . 11257 1 402 . 1 1 39 39 ALA H H 1 8.444 0.030 . 1 . . . . 39 ALA H . 11257 1 403 . 1 1 39 39 ALA HA H 1 3.899 0.030 . 1 . . . . 39 ALA HA . 11257 1 404 . 1 1 39 39 ALA HB1 H 1 1.499 0.030 . 1 . . . . 39 ALA HB . 11257 1 405 . 1 1 39 39 ALA HB2 H 1 1.499 0.030 . 1 . . . . 39 ALA HB . 11257 1 406 . 1 1 39 39 ALA HB3 H 1 1.499 0.030 . 1 . . . . 39 ALA HB . 11257 1 407 . 1 1 39 39 ALA C C 13 180.440 0.300 . 1 . . . . 39 ALA C . 11257 1 408 . 1 1 39 39 ALA CA C 13 55.642 0.300 . 1 . . . . 39 ALA CA . 11257 1 409 . 1 1 39 39 ALA CB C 13 18.305 0.300 . 1 . . . . 39 ALA CB . 11257 1 410 . 1 1 39 39 ALA N N 15 122.552 0.300 . 1 . . . . 39 ALA N . 11257 1 411 . 1 1 40 40 SER H H 1 9.209 0.030 . 1 . . . . 40 SER H . 11257 1 412 . 1 1 40 40 SER HA H 1 4.207 0.030 . 1 . . . . 40 SER HA . 11257 1 413 . 1 1 40 40 SER HB2 H 1 3.820 0.030 . 1 . . . . 40 SER HB2 . 11257 1 414 . 1 1 40 40 SER HB3 H 1 3.820 0.030 . 1 . . . . 40 SER HB3 . 11257 1 415 . 1 1 40 40 SER C C 13 176.953 0.300 . 1 . . . . 40 SER C . 11257 1 416 . 1 1 40 40 SER CA C 13 61.992 0.300 . 1 . . . . 40 SER CA . 11257 1 417 . 1 1 40 40 SER CB C 13 62.760 0.300 . 1 . . . . 40 SER CB . 11257 1 418 . 1 1 40 40 SER N N 15 115.624 0.300 . 1 . . . . 40 SER N . 11257 1 419 . 1 1 41 41 ASP H H 1 7.946 0.030 . 1 . . . . 41 ASP H . 11257 1 420 . 1 1 41 41 ASP HA H 1 4.366 0.030 . 1 . . . . 41 ASP HA . 11257 1 421 . 1 1 41 41 ASP HB2 H 1 3.192 0.030 . 2 . . . . 41 ASP HB2 . 11257 1 422 . 1 1 41 41 ASP HB3 H 1 2.754 0.030 . 2 . . . . 41 ASP HB3 . 11257 1 423 . 1 1 41 41 ASP C C 13 179.455 0.300 . 1 . . . . 41 ASP C . 11257 1 424 . 1 1 41 41 ASP CA C 13 57.672 0.300 . 1 . . . . 41 ASP CA . 11257 1 425 . 1 1 41 41 ASP CB C 13 40.310 0.300 . 1 . . . . 41 ASP CB . 11257 1 426 . 1 1 41 41 ASP N N 15 124.763 0.300 . 1 . . . . 41 ASP N . 11257 1 427 . 1 1 42 42 ILE H H 1 8.539 0.030 . 1 . . . . 42 ILE H . 11257 1 428 . 1 1 42 42 ILE HA H 1 3.255 0.030 . 1 . . . . 42 ILE HA . 11257 1 429 . 1 1 42 42 ILE HB H 1 1.578 0.030 . 1 . . . . 42 ILE HB . 11257 1 430 . 1 1 42 42 ILE HD11 H 1 0.179 0.030 . 1 . . . . 42 ILE HD1 . 11257 1 431 . 1 1 42 42 ILE HD12 H 1 0.179 0.030 . 1 . . . . 42 ILE HD1 . 11257 1 432 . 1 1 42 42 ILE HD13 H 1 0.179 0.030 . 1 . . . . 42 ILE HD1 . 11257 1 433 . 1 1 42 42 ILE HG12 H 1 0.978 0.030 . 2 . . . . 42 ILE HG12 . 11257 1 434 . 1 1 42 42 ILE HG13 H 1 -1.001 0.030 . 2 . . . . 42 ILE HG13 . 11257 1 435 . 1 1 42 42 ILE HG21 H 1 0.417 0.030 . 1 . . . . 42 ILE HG2 . 11257 1 436 . 1 1 42 42 ILE HG22 H 1 0.417 0.030 . 1 . . . . 42 ILE HG2 . 11257 1 437 . 1 1 42 42 ILE HG23 H 1 0.417 0.030 . 1 . . . . 42 ILE HG2 . 11257 1 438 . 1 1 42 42 ILE C C 13 176.962 0.300 . 1 . . . . 42 ILE C . 11257 1 439 . 1 1 42 42 ILE CA C 13 64.853 0.300 . 1 . . . . 42 ILE CA . 11257 1 440 . 1 1 42 42 ILE CB C 13 37.732 0.300 . 1 . . . . 42 ILE CB . 11257 1 441 . 1 1 42 42 ILE CD1 C 13 13.999 0.300 . 1 . . . . 42 ILE CD1 . 11257 1 442 . 1 1 42 42 ILE CG1 C 13 26.874 0.300 . 1 . . . . 42 ILE CG1 . 11257 1 443 . 1 1 42 42 ILE CG2 C 13 16.215 0.300 . 1 . . . . 42 ILE CG2 . 11257 1 444 . 1 1 42 42 ILE N N 15 123.208 0.300 . 1 . . . . 42 ILE N . 11257 1 445 . 1 1 43 43 ALA H H 1 7.869 0.030 . 1 . . . . 43 ALA H . 11257 1 446 . 1 1 43 43 ALA HA H 1 3.809 0.030 . 1 . . . . 43 ALA HA . 11257 1 447 . 1 1 43 43 ALA HB1 H 1 1.539 0.030 . 1 . . . . 43 ALA HB . 11257 1 448 . 1 1 43 43 ALA HB2 H 1 1.539 0.030 . 1 . . . . 43 ALA HB . 11257 1 449 . 1 1 43 43 ALA HB3 H 1 1.539 0.030 . 1 . . . . 43 ALA HB . 11257 1 450 . 1 1 43 43 ALA C C 13 178.730 0.300 . 1 . . . . 43 ALA C . 11257 1 451 . 1 1 43 43 ALA CA C 13 55.801 0.300 . 1 . . . . 43 ALA CA . 11257 1 452 . 1 1 43 43 ALA CB C 13 18.623 0.300 . 1 . . . . 43 ALA CB . 11257 1 453 . 1 1 43 43 ALA N N 15 120.974 0.300 . 1 . . . . 43 ALA N . 11257 1 454 . 1 1 44 44 LYS H H 1 7.772 0.030 . 1 . . . . 44 LYS H . 11257 1 455 . 1 1 44 44 LYS HA H 1 3.910 0.030 . 1 . . . . 44 LYS HA . 11257 1 456 . 1 1 44 44 LYS HB2 H 1 1.937 0.030 . 2 . . . . 44 LYS HB2 . 11257 1 457 . 1 1 44 44 LYS HB3 H 1 2.047 0.030 . 2 . . . . 44 LYS HB3 . 11257 1 458 . 1 1 44 44 LYS HD2 H 1 1.796 0.030 . 1 . . . . 44 LYS HD2 . 11257 1 459 . 1 1 44 44 LYS HD3 H 1 1.796 0.030 . 1 . . . . 44 LYS HD3 . 11257 1 460 . 1 1 44 44 LYS HE2 H 1 3.068 0.030 . 1 . . . . 44 LYS HE2 . 11257 1 461 . 1 1 44 44 LYS HE3 H 1 3.068 0.030 . 1 . . . . 44 LYS HE3 . 11257 1 462 . 1 1 44 44 LYS HG2 H 1 1.529 0.030 . 2 . . . . 44 LYS HG2 . 11257 1 463 . 1 1 44 44 LYS HG3 H 1 1.501 0.030 . 2 . . . . 44 LYS HG3 . 11257 1 464 . 1 1 44 44 LYS C C 13 177.316 0.300 . 1 . . . . 44 LYS C . 11257 1 465 . 1 1 44 44 LYS CA C 13 59.729 0.300 . 1 . . . . 44 LYS CA . 11257 1 466 . 1 1 44 44 LYS CB C 13 32.487 0.300 . 1 . . . . 44 LYS CB . 11257 1 467 . 1 1 44 44 LYS CD C 13 30.616 0.300 . 1 . . . . 44 LYS CD . 11257 1 468 . 1 1 44 44 LYS CG C 13 25.308 0.300 . 1 . . . . 44 LYS CG . 11257 1 469 . 1 1 44 44 LYS N N 15 115.693 0.300 . 1 . . . . 44 LYS N . 11257 1 470 . 1 1 45 45 HIS H H 1 8.427 0.030 . 1 . . . . 45 HIS H . 11257 1 471 . 1 1 45 45 HIS HA H 1 4.301 0.030 . 1 . . . . 45 HIS HA . 11257 1 472 . 1 1 45 45 HIS HB2 H 1 3.491 0.030 . 1 . . . . 45 HIS HB2 . 11257 1 473 . 1 1 45 45 HIS HB3 H 1 3.491 0.030 . 1 . . . . 45 HIS HB3 . 11257 1 474 . 1 1 45 45 HIS HD2 H 1 6.542 0.030 . 1 . . . . 45 HIS HD2 . 11257 1 475 . 1 1 45 45 HIS HE1 H 1 8.081 0.030 . 1 . . . . 45 HIS HE1 . 11257 1 476 . 1 1 45 45 HIS C C 13 178.622 0.300 . 1 . . . . 45 HIS C . 11257 1 477 . 1 1 45 45 HIS CA C 13 60.584 0.300 . 1 . . . . 45 HIS CA . 11257 1 478 . 1 1 45 45 HIS CB C 13 30.007 0.300 . 1 . . . . 45 HIS CB . 11257 1 479 . 1 1 45 45 HIS CD2 C 13 121.236 0.300 . 1 . . . . 45 HIS CD2 . 11257 1 480 . 1 1 45 45 HIS CE1 C 13 139.155 0.300 . 1 . . . . 45 HIS CE1 . 11257 1 481 . 1 1 45 45 HIS N N 15 117.794 0.300 . 1 . . . . 45 HIS N . 11257 1 482 . 1 1 46 46 VAL H H 1 8.862 0.030 . 1 . . . . 46 VAL H . 11257 1 483 . 1 1 46 46 VAL HA H 1 3.333 0.030 . 1 . . . . 46 VAL HA . 11257 1 484 . 1 1 46 46 VAL HB H 1 2.108 0.030 . 1 . . . . 46 VAL HB . 11257 1 485 . 1 1 46 46 VAL HG11 H 1 0.617 0.030 . 1 . . . . 46 VAL HG1 . 11257 1 486 . 1 1 46 46 VAL HG12 H 1 0.617 0.030 . 1 . . . . 46 VAL HG1 . 11257 1 487 . 1 1 46 46 VAL HG13 H 1 0.617 0.030 . 1 . . . . 46 VAL HG1 . 11257 1 488 . 1 1 46 46 VAL HG21 H 1 1.025 0.030 . 1 . . . . 46 VAL HG2 . 11257 1 489 . 1 1 46 46 VAL HG22 H 1 1.025 0.030 . 1 . . . . 46 VAL HG2 . 11257 1 490 . 1 1 46 46 VAL HG23 H 1 1.025 0.030 . 1 . . . . 46 VAL HG2 . 11257 1 491 . 1 1 46 46 VAL C C 13 177.288 0.300 . 1 . . . . 46 VAL C . 11257 1 492 . 1 1 46 46 VAL CA C 13 66.733 0.300 . 1 . . . . 46 VAL CA . 11257 1 493 . 1 1 46 46 VAL CB C 13 31.606 0.300 . 1 . . . . 46 VAL CB . 11257 1 494 . 1 1 46 46 VAL CG1 C 13 22.343 0.300 . 2 . . . . 46 VAL CG1 . 11257 1 495 . 1 1 46 46 VAL CG2 C 13 21.992 0.300 . 2 . . . . 46 VAL CG2 . 11257 1 496 . 1 1 46 46 VAL N N 15 118.869 0.300 . 1 . . . . 46 VAL N . 11257 1 497 . 1 1 47 47 TYR H H 1 7.947 0.030 . 1 . . . . 47 TYR H . 11257 1 498 . 1 1 47 47 TYR HA H 1 4.230 0.030 . 1 . . . . 47 TYR HA . 11257 1 499 . 1 1 47 47 TYR HB2 H 1 3.291 0.030 . 2 . . . . 47 TYR HB2 . 11257 1 500 . 1 1 47 47 TYR HB3 H 1 2.963 0.030 . 2 . . . . 47 TYR HB3 . 11257 1 501 . 1 1 47 47 TYR HD1 H 1 6.948 0.030 . 1 . . . . 47 TYR HD1 . 11257 1 502 . 1 1 47 47 TYR HD2 H 1 6.948 0.030 . 1 . . . . 47 TYR HD2 . 11257 1 503 . 1 1 47 47 TYR HE1 H 1 6.642 0.030 . 1 . . . . 47 TYR HE1 . 11257 1 504 . 1 1 47 47 TYR HE2 H 1 6.642 0.030 . 1 . . . . 47 TYR HE2 . 11257 1 505 . 1 1 47 47 TYR CA C 13 63.041 0.300 . 1 . . . . 47 TYR CA . 11257 1 506 . 1 1 47 47 TYR CB C 13 39.346 0.300 . 1 . . . . 47 TYR CB . 11257 1 507 . 1 1 47 47 TYR CD1 C 13 133.186 0.300 . 1 . . . . 47 TYR CD1 . 11257 1 508 . 1 1 47 47 TYR CD2 C 13 133.186 0.300 . 1 . . . . 47 TYR CD2 . 11257 1 509 . 1 1 47 47 TYR CE1 C 13 118.599 0.300 . 1 . . . . 47 TYR CE1 . 11257 1 510 . 1 1 47 47 TYR CE2 C 13 118.599 0.300 . 1 . . . . 47 TYR CE2 . 11257 1 511 . 1 1 48 48 ASP H H 1 8.675 0.030 . 1 . . . . 48 ASP H . 11257 1 512 . 1 1 48 48 ASP HA H 1 4.428 0.030 . 1 . . . . 48 ASP HA . 11257 1 513 . 1 1 48 48 ASP HB2 H 1 2.670 0.030 . 2 . . . . 48 ASP HB2 . 11257 1 514 . 1 1 48 48 ASP HB3 H 1 2.724 0.030 . 2 . . . . 48 ASP HB3 . 11257 1 515 . 1 1 48 48 ASP CB C 13 40.906 0.300 . 1 . . . . 48 ASP CB . 11257 1 516 . 1 1 49 49 ASN H H 1 7.732 0.030 . 1 . . . . 49 ASN H . 11257 1 517 . 1 1 49 49 ASN HA H 1 4.899 0.030 . 1 . . . . 49 ASN HA . 11257 1 518 . 1 1 49 49 ASN HB2 H 1 2.329 0.030 . 2 . . . . 49 ASN HB2 . 11257 1 519 . 1 1 49 49 ASN HB3 H 1 2.682 0.030 . 2 . . . . 49 ASN HB3 . 11257 1 520 . 1 1 49 49 ASN HD21 H 1 7.115 0.030 . 2 . . . . 49 ASN HD21 . 11257 1 521 . 1 1 49 49 ASN HD22 H 1 7.225 0.030 . 2 . . . . 49 ASN HD22 . 11257 1 522 . 1 1 49 49 ASN CB C 13 39.346 0.300 . 1 . . . . 49 ASN CB . 11257 1 523 . 1 1 49 49 ASN ND2 N 15 116.157 0.300 . 1 . . . . 49 ASN ND2 . 11257 1 524 . 1 1 50 50 TRP HA H 1 5.119 0.030 . 1 . . . . 50 TRP HA . 11257 1 525 . 1 1 50 50 TRP HB2 H 1 3.373 0.030 . 1 . . . . 50 TRP HB2 . 11257 1 526 . 1 1 50 50 TRP HB3 H 1 3.373 0.030 . 1 . . . . 50 TRP HB3 . 11257 1 527 . 1 1 50 50 TRP HD1 H 1 6.606 0.030 . 1 . . . . 50 TRP HD1 . 11257 1 528 . 1 1 50 50 TRP HE1 H 1 9.120 0.030 . 1 . . . . 50 TRP HE1 . 11257 1 529 . 1 1 50 50 TRP HE3 H 1 6.769 0.030 . 1 . . . . 50 TRP HE3 . 11257 1 530 . 1 1 50 50 TRP HH2 H 1 6.808 0.030 . 1 . . . . 50 TRP HH2 . 11257 1 531 . 1 1 50 50 TRP HZ2 H 1 7.099 0.030 . 1 . . . . 50 TRP HZ2 . 11257 1 532 . 1 1 50 50 TRP HZ3 H 1 6.197 0.030 . 1 . . . . 50 TRP HZ3 . 11257 1 533 . 1 1 50 50 TRP CD1 C 13 122.595 0.300 . 1 . . . . 50 TRP CD1 . 11257 1 534 . 1 1 50 50 TRP CH2 C 13 123.138 0.300 . 1 . . . . 50 TRP CH2 . 11257 1 535 . 1 1 50 50 TRP CZ2 C 13 114.450 0.300 . 1 . . . . 50 TRP CZ2 . 11257 1 536 . 1 1 50 50 TRP CZ3 C 13 121.444 0.300 . 1 . . . . 50 TRP CZ3 . 11257 1 537 . 1 1 54 54 TRP HA H 1 4.239 0.030 . 1 . . . . 54 TRP HA . 11257 1 538 . 1 1 54 54 TRP HB2 H 1 3.387 0.030 . 1 . . . . 54 TRP HB2 . 11257 1 539 . 1 1 54 54 TRP HB3 H 1 3.387 0.030 . 1 . . . . 54 TRP HB3 . 11257 1 540 . 1 1 54 54 TRP HD1 H 1 7.099 0.030 . 1 . . . . 54 TRP HD1 . 11257 1 541 . 1 1 54 54 TRP HE1 H 1 9.643 0.030 . 1 . . . . 54 TRP HE1 . 11257 1 542 . 1 1 54 54 TRP HE3 H 1 7.945 0.030 . 1 . . . . 54 TRP HE3 . 11257 1 543 . 1 1 54 54 TRP HH2 H 1 7.154 0.030 . 1 . . . . 54 TRP HH2 . 11257 1 544 . 1 1 54 54 TRP HZ2 H 1 7.460 0.030 . 1 . . . . 54 TRP HZ2 . 11257 1 545 . 1 1 54 54 TRP HZ3 H 1 7.148 0.030 . 1 . . . . 54 TRP HZ3 . 11257 1 546 . 1 1 54 54 TRP CD1 C 13 127.536 0.300 . 1 . . . . 54 TRP CD1 . 11257 1 547 . 1 1 54 54 TRP CE3 C 13 121.425 0.300 . 1 . . . . 54 TRP CE3 . 11257 1 548 . 1 1 54 54 TRP CH2 C 13 124.610 0.300 . 1 . . . . 54 TRP CH2 . 11257 1 549 . 1 1 54 54 TRP CZ2 C 13 115.859 0.300 . 1 . . . . 54 TRP CZ2 . 11257 1 550 . 1 1 54 54 TRP CZ3 C 13 121.715 0.300 . 1 . . . . 54 TRP CZ3 . 11257 1 551 . 1 1 54 54 TRP NE1 N 15 129.152 0.300 . 1 . . . . 54 TRP NE1 . 11257 1 552 . 1 1 58 58 GLN H H 1 8.019 0.030 . 1 . . . . 58 GLN H . 11257 1 553 . 1 1 58 58 GLN HA H 1 3.652 0.030 . 1 . . . . 58 GLN HA . 11257 1 554 . 1 1 58 58 GLN HB2 H 1 1.941 0.030 . 2 . . . . 58 GLN HB2 . 11257 1 555 . 1 1 58 58 GLN HB3 H 1 2.217 0.030 . 2 . . . . 58 GLN HB3 . 11257 1 556 . 1 1 58 58 GLN CA C 13 57.092 0.300 . 1 . . . . 58 GLN CA . 11257 1 557 . 1 1 58 58 GLN N N 15 116.810 0.300 . 1 . . . . 58 GLN N . 11257 1 558 . 1 1 59 59 VAL H H 1 7.469 0.030 . 1 . . . . 59 VAL H . 11257 1 559 . 1 1 59 59 VAL HA H 1 4.658 0.030 . 1 . . . . 59 VAL HA . 11257 1 560 . 1 1 59 59 VAL HB H 1 2.246 0.030 . 1 . . . . 59 VAL HB . 11257 1 561 . 1 1 59 59 VAL HG11 H 1 0.932 0.030 . 1 . . . . 59 VAL HG1 . 11257 1 562 . 1 1 59 59 VAL HG12 H 1 0.932 0.030 . 1 . . . . 59 VAL HG1 . 11257 1 563 . 1 1 59 59 VAL HG13 H 1 0.932 0.030 . 1 . . . . 59 VAL HG1 . 11257 1 564 . 1 1 59 59 VAL HG21 H 1 0.727 0.030 . 1 . . . . 59 VAL HG2 . 11257 1 565 . 1 1 59 59 VAL HG22 H 1 0.727 0.030 . 1 . . . . 59 VAL HG2 . 11257 1 566 . 1 1 59 59 VAL HG23 H 1 0.727 0.030 . 1 . . . . 59 VAL HG2 . 11257 1 567 . 1 1 59 59 VAL CB C 13 34.669 0.300 . 1 . . . . 59 VAL CB . 11257 1 568 . 1 1 59 59 VAL CG2 C 13 18.821 0.300 . 2 . . . . 59 VAL CG2 . 11257 1 569 . 1 1 60 60 SER H H 1 8.397 0.030 . 1 . . . . 60 SER H . 11257 1 570 . 1 1 60 60 SER HA H 1 4.323 0.030 . 1 . . . . 60 SER HA . 11257 1 571 . 1 1 60 60 SER HB2 H 1 3.877 0.030 . 2 . . . . 60 SER HB2 . 11257 1 572 . 1 1 60 60 SER HB3 H 1 3.946 0.030 . 2 . . . . 60 SER HB3 . 11257 1 573 . 1 1 60 60 SER C C 13 174.620 0.300 . 1 . . . . 60 SER C . 11257 1 574 . 1 1 60 60 SER CA C 13 59.886 0.300 . 1 . . . . 60 SER CA . 11257 1 575 . 1 1 60 60 SER CB C 13 63.663 0.300 . 1 . . . . 60 SER CB . 11257 1 576 . 1 1 61 61 SER H H 1 7.005 0.030 . 1 . . . . 61 SER H . 11257 1 577 . 1 1 61 61 SER HA H 1 4.410 0.030 . 1 . . . . 61 SER HA . 11257 1 578 . 1 1 61 61 SER HB2 H 1 4.013 0.030 . 2 . . . . 61 SER HB2 . 11257 1 579 . 1 1 61 61 SER HB3 H 1 3.480 0.030 . 2 . . . . 61 SER HB3 . 11257 1 580 . 1 1 61 61 SER C C 13 172.089 0.300 . 1 . . . . 61 SER C . 11257 1 581 . 1 1 61 61 SER CA C 13 55.150 0.300 . 1 . . . . 61 SER CA . 11257 1 582 . 1 1 61 61 SER CB C 13 64.824 0.300 . 1 . . . . 61 SER CB . 11257 1 583 . 1 1 61 61 SER N N 15 113.506 0.300 . 1 . . . . 61 SER N . 11257 1 584 . 1 1 62 62 PRO HA H 1 4.412 0.030 . 1 . . . . 62 PRO HA . 11257 1 585 . 1 1 62 62 PRO HD2 H 1 3.527 0.030 . 2 . . . . 62 PRO HD2 . 11257 1 586 . 1 1 62 62 PRO HD3 H 1 1.943 0.030 . 2 . . . . 62 PRO HD3 . 11257 1 587 . 1 1 62 62 PRO HG2 H 1 1.743 0.030 . 2 . . . . 62 PRO HG2 . 11257 1 588 . 1 1 62 62 PRO HG3 H 1 1.651 0.030 . 2 . . . . 62 PRO HG3 . 11257 1 589 . 1 1 62 62 PRO CA C 13 63.768 0.300 . 1 . . . . 62 PRO CA . 11257 1 590 . 1 1 62 62 PRO CB C 13 30.553 0.300 . 1 . . . . 62 PRO CB . 11257 1 591 . 1 1 62 62 PRO CD C 13 49.380 0.300 . 1 . . . . 62 PRO CD . 11257 1 592 . 1 1 62 62 PRO CG C 13 26.250 0.300 . 1 . . . . 62 PRO CG . 11257 1 593 . 1 1 63 63 ASN H H 1 7.816 0.030 . 1 . . . . 63 ASN H . 11257 1 594 . 1 1 63 63 ASN HA H 1 4.409 0.030 . 1 . . . . 63 ASN HA . 11257 1 595 . 1 1 63 63 ASN HB2 H 1 2.624 0.030 . 2 . . . . 63 ASN HB2 . 11257 1 596 . 1 1 63 63 ASN HB3 H 1 2.788 0.030 . 2 . . . . 63 ASN HB3 . 11257 1 597 . 1 1 63 63 ASN HD21 H 1 6.935 0.030 . 2 . . . . 63 ASN HD21 . 11257 1 598 . 1 1 63 63 ASN HD22 H 1 7.540 0.030 . 2 . . . . 63 ASN HD22 . 11257 1 599 . 1 1 63 63 ASN CA C 13 54.992 0.300 . 1 . . . . 63 ASN CA . 11257 1 600 . 1 1 63 63 ASN CB C 13 37.859 0.300 . 1 . . . . 63 ASN CB . 11257 1 601 . 1 1 63 63 ASN N N 15 114.185 0.300 . 1 . . . . 63 ASN N . 11257 1 602 . 1 1 63 63 ASN ND2 N 15 113.036 0.300 . 1 . . . . 63 ASN ND2 . 11257 1 603 . 1 1 64 64 ILE H H 1 6.919 0.030 . 1 . . . . 64 ILE H . 11257 1 604 . 1 1 64 64 ILE HA H 1 4.179 0.030 . 1 . . . . 64 ILE HA . 11257 1 605 . 1 1 64 64 ILE HB H 1 2.031 0.030 . 1 . . . . 64 ILE HB . 11257 1 606 . 1 1 64 64 ILE HD11 H 1 0.926 0.030 . 1 . . . . 64 ILE HD1 . 11257 1 607 . 1 1 64 64 ILE HD12 H 1 0.926 0.030 . 1 . . . . 64 ILE HD1 . 11257 1 608 . 1 1 64 64 ILE HD13 H 1 0.926 0.030 . 1 . . . . 64 ILE HD1 . 11257 1 609 . 1 1 64 64 ILE HG12 H 1 1.382 0.030 . 1 . . . . 64 ILE HG12 . 11257 1 610 . 1 1 64 64 ILE HG13 H 1 1.382 0.030 . 1 . . . . 64 ILE HG13 . 11257 1 611 . 1 1 64 64 ILE HG21 H 1 0.958 0.030 . 1 . . . . 64 ILE HG2 . 11257 1 612 . 1 1 64 64 ILE HG22 H 1 0.958 0.030 . 1 . . . . 64 ILE HG2 . 11257 1 613 . 1 1 64 64 ILE HG23 H 1 0.958 0.030 . 1 . . . . 64 ILE HG2 . 11257 1 614 . 1 1 64 64 ILE C C 13 175.301 0.300 . 1 . . . . 64 ILE C . 11257 1 615 . 1 1 64 64 ILE CA C 13 60.601 0.300 . 1 . . . . 64 ILE CA . 11257 1 616 . 1 1 64 64 ILE CB C 13 38.463 0.300 . 1 . . . . 64 ILE CB . 11257 1 617 . 1 1 64 64 ILE CD1 C 13 13.890 0.300 . 1 . . . . 64 ILE CD1 . 11257 1 618 . 1 1 64 64 ILE CG1 C 13 27.351 0.300 . 1 . . . . 64 ILE CG1 . 11257 1 619 . 1 1 64 64 ILE CG2 C 13 18.344 0.300 . 1 . . . . 64 ILE CG2 . 11257 1 620 . 1 1 64 64 ILE N N 15 113.365 0.300 . 1 . . . . 64 ILE N . 11257 1 621 . 1 1 65 65 LEU H H 1 7.113 0.030 . 1 . . . . 65 LEU H . 11257 1 622 . 1 1 65 65 LEU HA H 1 4.780 0.030 . 1 . . . . 65 LEU HA . 11257 1 623 . 1 1 65 65 LEU HB2 H 1 1.346 0.030 . 1 . . . . 65 LEU HB2 . 11257 1 624 . 1 1 65 65 LEU HB3 H 1 1.346 0.030 . 1 . . . . 65 LEU HB3 . 11257 1 625 . 1 1 65 65 LEU HD11 H 1 1.049 0.030 . 1 . . . . 65 LEU HD1 . 11257 1 626 . 1 1 65 65 LEU HD12 H 1 1.049 0.030 . 1 . . . . 65 LEU HD1 . 11257 1 627 . 1 1 65 65 LEU HD13 H 1 1.049 0.030 . 1 . . . . 65 LEU HD1 . 11257 1 628 . 1 1 65 65 LEU HG H 1 2.172 0.030 . 1 . . . . 65 LEU HG . 11257 1 629 . 1 1 65 65 LEU C C 13 176.390 0.300 . 1 . . . . 65 LEU C . 11257 1 630 . 1 1 65 65 LEU CA C 13 54.603 0.300 . 1 . . . . 65 LEU CA . 11257 1 631 . 1 1 65 65 LEU CB C 13 42.930 0.300 . 1 . . . . 65 LEU CB . 11257 1 632 . 1 1 65 65 LEU CD1 C 13 22.197 0.300 . 2 . . . . 65 LEU CD1 . 11257 1 633 . 1 1 65 65 LEU N N 15 120.087 0.300 . 1 . . . . 65 LEU N . 11257 1 634 . 1 1 66 66 ARG H H 1 9.217 0.030 . 1 . . . . 66 ARG H . 11257 1 635 . 1 1 66 66 ARG HA H 1 4.767 0.030 . 1 . . . . 66 ARG HA . 11257 1 636 . 1 1 66 66 ARG HB2 H 1 1.875 0.030 . 2 . . . . 66 ARG HB2 . 11257 1 637 . 1 1 66 66 ARG HB3 H 1 1.786 0.030 . 2 . . . . 66 ARG HB3 . 11257 1 638 . 1 1 66 66 ARG HD2 H 1 3.079 0.030 . 2 . . . . 66 ARG HD2 . 11257 1 639 . 1 1 66 66 ARG HD3 H 1 2.970 0.030 . 2 . . . . 66 ARG HD3 . 11257 1 640 . 1 1 66 66 ARG HE H 1 6.996 0.030 . 1 . . . . 66 ARG HE . 11257 1 641 . 1 1 66 66 ARG HG2 H 1 1.710 0.030 . 2 . . . . 66 ARG HG2 . 11257 1 642 . 1 1 66 66 ARG HG3 H 1 1.452 0.030 . 2 . . . . 66 ARG HG3 . 11257 1 643 . 1 1 66 66 ARG C C 13 174.253 0.300 . 1 . . . . 66 ARG C . 11257 1 644 . 1 1 66 66 ARG CA C 13 52.761 0.300 . 1 . . . . 66 ARG CA . 11257 1 645 . 1 1 66 66 ARG CB C 13 33.422 0.300 . 1 . . . . 66 ARG CB . 11257 1 646 . 1 1 66 66 ARG CD C 13 42.721 0.300 . 1 . . . . 66 ARG CD . 11257 1 647 . 1 1 66 66 ARG CG C 13 26.607 0.300 . 1 . . . . 66 ARG CG . 11257 1 648 . 1 1 66 66 ARG N N 15 120.378 0.300 . 1 . . . . 66 ARG N . 11257 1 649 . 1 1 66 66 ARG NE N 15 83.765 0.300 . 1 . . . . 66 ARG NE . 11257 1 650 . 1 1 67 67 LEU H H 1 9.199 0.030 . 1 . . . . 67 LEU H . 11257 1 651 . 1 1 67 67 LEU HA H 1 5.255 0.030 . 1 . . . . 67 LEU HA . 11257 1 652 . 1 1 67 67 LEU HB2 H 1 1.730 0.030 . 2 . . . . 67 LEU HB2 . 11257 1 653 . 1 1 67 67 LEU HB3 H 1 1.556 0.030 . 2 . . . . 67 LEU HB3 . 11257 1 654 . 1 1 67 67 LEU HD11 H 1 0.840 0.030 . 1 . . . . 67 LEU HD1 . 11257 1 655 . 1 1 67 67 LEU HD12 H 1 0.840 0.030 . 1 . . . . 67 LEU HD1 . 11257 1 656 . 1 1 67 67 LEU HD13 H 1 0.840 0.030 . 1 . . . . 67 LEU HD1 . 11257 1 657 . 1 1 67 67 LEU HD21 H 1 0.854 0.030 . 1 . . . . 67 LEU HD2 . 11257 1 658 . 1 1 67 67 LEU HD22 H 1 0.854 0.030 . 1 . . . . 67 LEU HD2 . 11257 1 659 . 1 1 67 67 LEU HD23 H 1 0.854 0.030 . 1 . . . . 67 LEU HD2 . 11257 1 660 . 1 1 67 67 LEU HG H 1 1.599 0.030 . 1 . . . . 67 LEU HG . 11257 1 661 . 1 1 67 67 LEU C C 13 176.019 0.300 . 1 . . . . 67 LEU C . 11257 1 662 . 1 1 67 67 LEU CA C 13 53.513 0.300 . 1 . . . . 67 LEU CA . 11257 1 663 . 1 1 67 67 LEU CB C 13 44.912 0.300 . 1 . . . . 67 LEU CB . 11257 1 664 . 1 1 67 67 LEU CD1 C 13 25.702 0.300 . 2 . . . . 67 LEU CD1 . 11257 1 665 . 1 1 67 67 LEU CD2 C 13 25.315 0.300 . 2 . . . . 67 LEU CD2 . 11257 1 666 . 1 1 67 67 LEU CG C 13 27.767 0.300 . 1 . . . . 67 LEU CG . 11257 1 667 . 1 1 67 67 LEU N N 15 122.752 0.300 . 1 . . . . 67 LEU N . 11257 1 668 . 1 1 68 68 ILE H H 1 9.061 0.030 . 1 . . . . 68 ILE H . 11257 1 669 . 1 1 68 68 ILE HA H 1 4.702 0.030 . 1 . . . . 68 ILE HA . 11257 1 670 . 1 1 68 68 ILE HB H 1 1.579 0.030 . 1 . . . . 68 ILE HB . 11257 1 671 . 1 1 68 68 ILE HD11 H 1 0.447 0.030 . 1 . . . . 68 ILE HD1 . 11257 1 672 . 1 1 68 68 ILE HD12 H 1 0.447 0.030 . 1 . . . . 68 ILE HD1 . 11257 1 673 . 1 1 68 68 ILE HD13 H 1 0.447 0.030 . 1 . . . . 68 ILE HD1 . 11257 1 674 . 1 1 68 68 ILE HG12 H 1 0.062 0.030 . 2 . . . . 68 ILE HG12 . 11257 1 675 . 1 1 68 68 ILE HG13 H 1 1.224 0.030 . 2 . . . . 68 ILE HG13 . 11257 1 676 . 1 1 68 68 ILE HG21 H 1 0.474 0.030 . 1 . . . . 68 ILE HG2 . 11257 1 677 . 1 1 68 68 ILE HG22 H 1 0.474 0.030 . 1 . . . . 68 ILE HG2 . 11257 1 678 . 1 1 68 68 ILE HG23 H 1 0.474 0.030 . 1 . . . . 68 ILE HG2 . 11257 1 679 . 1 1 68 68 ILE C C 13 176.132 0.300 . 1 . . . . 68 ILE C . 11257 1 680 . 1 1 68 68 ILE CA C 13 59.849 0.300 . 1 . . . . 68 ILE CA . 11257 1 681 . 1 1 68 68 ILE CB C 13 39.746 0.300 . 1 . . . . 68 ILE CB . 11257 1 682 . 1 1 68 68 ILE CD1 C 13 14.149 0.300 . 1 . . . . 68 ILE CD1 . 11257 1 683 . 1 1 68 68 ILE CG1 C 13 27.186 0.300 . 1 . . . . 68 ILE CG1 . 11257 1 684 . 1 1 68 68 ILE CG2 C 13 17.086 0.300 . 1 . . . . 68 ILE CG2 . 11257 1 685 . 1 1 68 68 ILE N N 15 120.091 0.300 . 1 . . . . 68 ILE N . 11257 1 686 . 1 1 69 69 TYR H H 1 8.941 0.030 . 1 . . . . 69 TYR H . 11257 1 687 . 1 1 69 69 TYR HA H 1 5.152 0.030 . 1 . . . . 69 TYR HA . 11257 1 688 . 1 1 69 69 TYR HB2 H 1 3.264 0.030 . 2 . . . . 69 TYR HB2 . 11257 1 689 . 1 1 69 69 TYR HB3 H 1 2.791 0.030 . 2 . . . . 69 TYR HB3 . 11257 1 690 . 1 1 69 69 TYR HD1 H 1 7.273 0.030 . 1 . . . . 69 TYR HD1 . 11257 1 691 . 1 1 69 69 TYR HD2 H 1 7.273 0.030 . 1 . . . . 69 TYR HD2 . 11257 1 692 . 1 1 69 69 TYR HE1 H 1 6.890 0.030 . 1 . . . . 69 TYR HE1 . 11257 1 693 . 1 1 69 69 TYR HE2 H 1 6.890 0.030 . 1 . . . . 69 TYR HE2 . 11257 1 694 . 1 1 69 69 TYR C C 13 174.647 0.300 . 1 . . . . 69 TYR C . 11257 1 695 . 1 1 69 69 TYR CA C 13 55.893 0.300 . 1 . . . . 69 TYR CA . 11257 1 696 . 1 1 69 69 TYR CB C 13 41.714 0.300 . 1 . . . . 69 TYR CB . 11257 1 697 . 1 1 69 69 TYR CD1 C 13 133.257 0.300 . 1 . . . . 69 TYR CD1 . 11257 1 698 . 1 1 69 69 TYR CD2 C 13 133.257 0.300 . 1 . . . . 69 TYR CD2 . 11257 1 699 . 1 1 69 69 TYR CE1 C 13 118.823 0.300 . 1 . . . . 69 TYR CE1 . 11257 1 700 . 1 1 69 69 TYR CE2 C 13 118.823 0.300 . 1 . . . . 69 TYR CE2 . 11257 1 701 . 1 1 69 69 TYR N N 15 128.409 0.300 . 1 . . . . 69 TYR N . 11257 1 702 . 1 1 70 70 GLN H H 1 9.143 0.030 . 1 . . . . 70 GLN H . 11257 1 703 . 1 1 70 70 GLN HA H 1 3.652 0.030 . 1 . . . . 70 GLN HA . 11257 1 704 . 1 1 70 70 GLN HB2 H 1 1.897 0.030 . 2 . . . . 70 GLN HB2 . 11257 1 705 . 1 1 70 70 GLN HB3 H 1 1.639 0.030 . 2 . . . . 70 GLN HB3 . 11257 1 706 . 1 1 70 70 GLN HE21 H 1 7.098 0.030 . 2 . . . . 70 GLN HE21 . 11257 1 707 . 1 1 70 70 GLN HE22 H 1 6.758 0.030 . 2 . . . . 70 GLN HE22 . 11257 1 708 . 1 1 70 70 GLN HG2 H 1 1.099 0.030 . 2 . . . . 70 GLN HG2 . 11257 1 709 . 1 1 70 70 GLN HG3 H 1 1.625 0.030 . 2 . . . . 70 GLN HG3 . 11257 1 710 . 1 1 70 70 GLN C C 13 176.295 0.300 . 1 . . . . 70 GLN C . 11257 1 711 . 1 1 70 70 GLN CA C 13 56.534 0.300 . 1 . . . . 70 GLN CA . 11257 1 712 . 1 1 70 70 GLN CB C 13 25.953 0.300 . 1 . . . . 70 GLN CB . 11257 1 713 . 1 1 70 70 GLN CG C 13 33.005 0.300 . 1 . . . . 70 GLN CG . 11257 1 714 . 1 1 70 70 GLN N N 15 126.380 0.300 . 1 . . . . 70 GLN N . 11257 1 715 . 1 1 70 70 GLN NE2 N 15 111.235 0.300 . 1 . . . . 70 GLN NE2 . 11257 1 716 . 1 1 71 71 GLY H H 1 8.353 0.030 . 1 . . . . 71 GLY H . 11257 1 717 . 1 1 71 71 GLY HA2 H 1 4.005 0.030 . 2 . . . . 71 GLY HA2 . 11257 1 718 . 1 1 71 71 GLY HA3 H 1 3.377 0.030 . 2 . . . . 71 GLY HA3 . 11257 1 719 . 1 1 71 71 GLY C C 13 173.382 0.300 . 1 . . . . 71 GLY C . 11257 1 720 . 1 1 71 71 GLY CA C 13 45.489 0.300 . 1 . . . . 71 GLY CA . 11257 1 721 . 1 1 71 71 GLY N N 15 102.771 0.300 . 1 . . . . 71 GLY N . 11257 1 722 . 1 1 72 72 ARG H H 1 7.693 0.030 . 1 . . . . 72 ARG H . 11257 1 723 . 1 1 72 72 ARG HA H 1 4.728 0.030 . 1 . . . . 72 ARG HA . 11257 1 724 . 1 1 72 72 ARG HB2 H 1 1.854 0.030 . 1 . . . . 72 ARG HB2 . 11257 1 725 . 1 1 72 72 ARG HB3 H 1 1.854 0.030 . 1 . . . . 72 ARG HB3 . 11257 1 726 . 1 1 72 72 ARG HD2 H 1 3.252 0.030 . 1 . . . . 72 ARG HD2 . 11257 1 727 . 1 1 72 72 ARG HD3 H 1 3.252 0.030 . 1 . . . . 72 ARG HD3 . 11257 1 728 . 1 1 72 72 ARG HE H 1 7.226 0.030 . 1 . . . . 72 ARG HE . 11257 1 729 . 1 1 72 72 ARG HG2 H 1 1.626 0.030 . 2 . . . . 72 ARG HG2 . 11257 1 730 . 1 1 72 72 ARG HG3 H 1 1.703 0.030 . 2 . . . . 72 ARG HG3 . 11257 1 731 . 1 1 72 72 ARG C C 13 174.920 0.300 . 1 . . . . 72 ARG C . 11257 1 732 . 1 1 72 72 ARG CA C 13 53.929 0.300 . 1 . . . . 72 ARG CA . 11257 1 733 . 1 1 72 72 ARG CB C 13 32.989 0.300 . 1 . . . . 72 ARG CB . 11257 1 734 . 1 1 72 72 ARG CD C 13 43.790 0.300 . 1 . . . . 72 ARG CD . 11257 1 735 . 1 1 72 72 ARG CG C 13 26.853 0.300 . 1 . . . . 72 ARG CG . 11257 1 736 . 1 1 72 72 ARG N N 15 119.777 0.300 . 1 . . . . 72 ARG N . 11257 1 737 . 1 1 72 72 ARG NE N 15 85.288 0.300 . 1 . . . . 72 ARG NE . 11257 1 738 . 1 1 73 73 PHE H H 1 8.622 0.030 . 1 . . . . 73 PHE H . 11257 1 739 . 1 1 73 73 PHE HA H 1 4.962 0.030 . 1 . . . . 73 PHE HA . 11257 1 740 . 1 1 73 73 PHE HB2 H 1 2.973 0.030 . 2 . . . . 73 PHE HB2 . 11257 1 741 . 1 1 73 73 PHE HB3 H 1 2.826 0.030 . 2 . . . . 73 PHE HB3 . 11257 1 742 . 1 1 73 73 PHE HD1 H 1 7.204 0.030 . 1 . . . . 73 PHE HD1 . 11257 1 743 . 1 1 73 73 PHE HD2 H 1 7.204 0.030 . 1 . . . . 73 PHE HD2 . 11257 1 744 . 1 1 73 73 PHE HE1 H 1 7.237 0.030 . 1 . . . . 73 PHE HE1 . 11257 1 745 . 1 1 73 73 PHE HE2 H 1 7.237 0.030 . 1 . . . . 73 PHE HE2 . 11257 1 746 . 1 1 73 73 PHE C C 13 177.439 0.300 . 1 . . . . 73 PHE C . 11257 1 747 . 1 1 73 73 PHE CA C 13 57.812 0.300 . 1 . . . . 73 PHE CA . 11257 1 748 . 1 1 73 73 PHE CB C 13 39.618 0.300 . 1 . . . . 73 PHE CB . 11257 1 749 . 1 1 73 73 PHE CD1 C 13 131.557 0.300 . 1 . . . . 73 PHE CD1 . 11257 1 750 . 1 1 73 73 PHE CD2 C 13 131.557 0.300 . 1 . . . . 73 PHE CD2 . 11257 1 751 . 1 1 73 73 PHE CE1 C 13 129.262 0.300 . 1 . . . . 73 PHE CE1 . 11257 1 752 . 1 1 73 73 PHE CE2 C 13 129.262 0.300 . 1 . . . . 73 PHE CE2 . 11257 1 753 . 1 1 73 73 PHE N N 15 121.153 0.300 . 1 . . . . 73 PHE N . 11257 1 754 . 1 1 74 74 LEU H H 1 8.828 0.030 . 1 . . . . 74 LEU H . 11257 1 755 . 1 1 74 74 LEU HA H 1 4.565 0.030 . 1 . . . . 74 LEU HA . 11257 1 756 . 1 1 74 74 LEU HB2 H 1 1.828 0.030 . 2 . . . . 74 LEU HB2 . 11257 1 757 . 1 1 74 74 LEU HB3 H 1 1.345 0.030 . 2 . . . . 74 LEU HB3 . 11257 1 758 . 1 1 74 74 LEU HD11 H 1 0.816 0.030 . 1 . . . . 74 LEU HD1 . 11257 1 759 . 1 1 74 74 LEU HD12 H 1 0.816 0.030 . 1 . . . . 74 LEU HD1 . 11257 1 760 . 1 1 74 74 LEU HD13 H 1 0.816 0.030 . 1 . . . . 74 LEU HD1 . 11257 1 761 . 1 1 74 74 LEU HD21 H 1 1.003 0.030 . 1 . . . . 74 LEU HD2 . 11257 1 762 . 1 1 74 74 LEU HD22 H 1 1.003 0.030 . 1 . . . . 74 LEU HD2 . 11257 1 763 . 1 1 74 74 LEU HD23 H 1 1.003 0.030 . 1 . . . . 74 LEU HD2 . 11257 1 764 . 1 1 74 74 LEU HG H 1 1.815 0.030 . 1 . . . . 74 LEU HG . 11257 1 765 . 1 1 74 74 LEU C C 13 177.711 0.300 . 1 . . . . 74 LEU C . 11257 1 766 . 1 1 74 74 LEU CA C 13 54.286 0.300 . 1 . . . . 74 LEU CA . 11257 1 767 . 1 1 74 74 LEU CB C 13 41.844 0.300 . 1 . . . . 74 LEU CB . 11257 1 768 . 1 1 74 74 LEU CD1 C 13 26.278 0.300 . 2 . . . . 74 LEU CD1 . 11257 1 769 . 1 1 74 74 LEU CD2 C 13 23.421 0.300 . 2 . . . . 74 LEU CD2 . 11257 1 770 . 1 1 74 74 LEU CG C 13 26.679 0.300 . 1 . . . . 74 LEU CG . 11257 1 771 . 1 1 74 74 LEU N N 15 123.718 0.300 . 1 . . . . 74 LEU N . 11257 1 772 . 1 1 75 75 HIS H H 1 8.584 0.030 . 1 . . . . 75 HIS H . 11257 1 773 . 1 1 75 75 HIS HA H 1 4.489 0.030 . 1 . . . . 75 HIS HA . 11257 1 774 . 1 1 75 75 HIS HB2 H 1 3.192 0.030 . 2 . . . . 75 HIS HB2 . 11257 1 775 . 1 1 75 75 HIS HB3 H 1 3.267 0.030 . 2 . . . . 75 HIS HB3 . 11257 1 776 . 1 1 75 75 HIS HD2 H 1 7.249 0.030 . 1 . . . . 75 HIS HD2 . 11257 1 777 . 1 1 75 75 HIS HE1 H 1 8.048 0.030 . 1 . . . . 75 HIS HE1 . 11257 1 778 . 1 1 75 75 HIS C C 13 176.267 0.300 . 1 . . . . 75 HIS C . 11257 1 779 . 1 1 75 75 HIS CA C 13 57.058 0.300 . 1 . . . . 75 HIS CA . 11257 1 780 . 1 1 75 75 HIS CB C 13 30.694 0.300 . 1 . . . . 75 HIS CB . 11257 1 781 . 1 1 75 75 HIS CD2 C 13 119.162 0.300 . 1 . . . . 75 HIS CD2 . 11257 1 782 . 1 1 75 75 HIS CE1 C 13 138.157 0.300 . 1 . . . . 75 HIS CE1 . 11257 1 783 . 1 1 75 75 HIS N N 15 124.598 0.300 . 1 . . . . 75 HIS N . 11257 1 784 . 1 1 76 76 GLY H H 1 8.449 0.030 . 1 . . . . 76 GLY H . 11257 1 785 . 1 1 76 76 GLY HA2 H 1 3.764 0.030 . 2 . . . . 76 GLY HA2 . 11257 1 786 . 1 1 76 76 GLY HA3 H 1 3.910 0.030 . 2 . . . . 76 GLY HA3 . 11257 1 787 . 1 1 76 76 GLY C C 13 174.090 0.300 . 1 . . . . 76 GLY C . 11257 1 788 . 1 1 76 76 GLY CA C 13 47.730 0.300 . 1 . . . . 76 GLY CA . 11257 1 789 . 1 1 76 76 GLY N N 15 108.279 0.300 . 1 . . . . 76 GLY N . 11257 1 790 . 1 1 77 77 ASN H H 1 8.565 0.030 . 1 . . . . 77 ASN H . 11257 1 791 . 1 1 77 77 ASN HA H 1 4.833 0.030 . 1 . . . . 77 ASN HA . 11257 1 792 . 1 1 77 77 ASN HB2 H 1 3.044 0.030 . 2 . . . . 77 ASN HB2 . 11257 1 793 . 1 1 77 77 ASN HB3 H 1 2.917 0.030 . 2 . . . . 77 ASN HB3 . 11257 1 794 . 1 1 77 77 ASN HD21 H 1 6.916 0.030 . 2 . . . . 77 ASN HD21 . 11257 1 795 . 1 1 77 77 ASN HD22 H 1 7.696 0.030 . 2 . . . . 77 ASN HD22 . 11257 1 796 . 1 1 77 77 ASN C C 13 176.295 0.300 . 1 . . . . 77 ASN C . 11257 1 797 . 1 1 77 77 ASN CA C 13 52.900 0.300 . 1 . . . . 77 ASN CA . 11257 1 798 . 1 1 77 77 ASN CB C 13 38.308 0.300 . 1 . . . . 77 ASN CB . 11257 1 799 . 1 1 77 77 ASN N N 15 113.652 0.300 . 1 . . . . 77 ASN N . 11257 1 800 . 1 1 77 77 ASN ND2 N 15 112.150 0.300 . 1 . . . . 77 ASN ND2 . 11257 1 801 . 1 1 78 78 VAL H H 1 7.820 0.030 . 1 . . . . 78 VAL H . 11257 1 802 . 1 1 78 78 VAL HA H 1 3.997 0.030 . 1 . . . . 78 VAL HA . 11257 1 803 . 1 1 78 78 VAL HB H 1 2.159 0.030 . 1 . . . . 78 VAL HB . 11257 1 804 . 1 1 78 78 VAL HG11 H 1 1.177 0.030 . 1 . . . . 78 VAL HG1 . 11257 1 805 . 1 1 78 78 VAL HG12 H 1 1.177 0.030 . 1 . . . . 78 VAL HG1 . 11257 1 806 . 1 1 78 78 VAL HG13 H 1 1.177 0.030 . 1 . . . . 78 VAL HG1 . 11257 1 807 . 1 1 78 78 VAL HG21 H 1 1.050 0.030 . 1 . . . . 78 VAL HG2 . 11257 1 808 . 1 1 78 78 VAL HG22 H 1 1.050 0.030 . 1 . . . . 78 VAL HG2 . 11257 1 809 . 1 1 78 78 VAL HG23 H 1 1.050 0.030 . 1 . . . . 78 VAL HG2 . 11257 1 810 . 1 1 78 78 VAL C C 13 174.933 0.300 . 1 . . . . 78 VAL C . 11257 1 811 . 1 1 78 78 VAL CA C 13 63.633 0.300 . 1 . . . . 78 VAL CA . 11257 1 812 . 1 1 78 78 VAL CB C 13 32.251 0.300 . 1 . . . . 78 VAL CB . 11257 1 813 . 1 1 78 78 VAL CG1 C 13 23.214 0.300 . 2 . . . . 78 VAL CG1 . 11257 1 814 . 1 1 78 78 VAL CG2 C 13 21.396 0.300 . 2 . . . . 78 VAL CG2 . 11257 1 815 . 1 1 78 78 VAL N N 15 123.914 0.300 . 1 . . . . 78 VAL N . 11257 1 816 . 1 1 79 79 THR H H 1 7.462 0.030 . 1 . . . . 79 THR H . 11257 1 817 . 1 1 79 79 THR HA H 1 5.128 0.030 . 1 . . . . 79 THR HA . 11257 1 818 . 1 1 79 79 THR HB H 1 4.590 0.030 . 1 . . . . 79 THR HB . 11257 1 819 . 1 1 79 79 THR HG21 H 1 1.126 0.030 . 1 . . . . 79 THR HG2 . 11257 1 820 . 1 1 79 79 THR HG22 H 1 1.126 0.030 . 1 . . . . 79 THR HG2 . 11257 1 821 . 1 1 79 79 THR HG23 H 1 1.126 0.030 . 1 . . . . 79 THR HG2 . 11257 1 822 . 1 1 79 79 THR C C 13 175.615 0.300 . 1 . . . . 79 THR C . 11257 1 823 . 1 1 79 79 THR CA C 13 58.924 0.300 . 1 . . . . 79 THR CA . 11257 1 824 . 1 1 79 79 THR CB C 13 71.354 0.300 . 1 . . . . 79 THR CB . 11257 1 825 . 1 1 79 79 THR CG2 C 13 21.959 0.300 . 1 . . . . 79 THR CG2 . 11257 1 826 . 1 1 79 79 THR N N 15 114.458 0.300 . 1 . . . . 79 THR N . 11257 1 827 . 1 1 80 80 LEU H H 1 7.872 0.030 . 1 . . . . 80 LEU H . 11257 1 828 . 1 1 80 80 LEU HA H 1 3.891 0.030 . 1 . . . . 80 LEU HA . 11257 1 829 . 1 1 80 80 LEU HB2 H 1 1.968 0.030 . 2 . . . . 80 LEU HB2 . 11257 1 830 . 1 1 80 80 LEU HB3 H 1 1.256 0.030 . 2 . . . . 80 LEU HB3 . 11257 1 831 . 1 1 80 80 LEU HD11 H 1 0.825 0.030 . 1 . . . . 80 LEU HD1 . 11257 1 832 . 1 1 80 80 LEU HD12 H 1 0.825 0.030 . 1 . . . . 80 LEU HD1 . 11257 1 833 . 1 1 80 80 LEU HD13 H 1 0.825 0.030 . 1 . . . . 80 LEU HD1 . 11257 1 834 . 1 1 80 80 LEU HD21 H 1 0.490 0.030 . 1 . . . . 80 LEU HD2 . 11257 1 835 . 1 1 80 80 LEU HD22 H 1 0.490 0.030 . 1 . . . . 80 LEU HD2 . 11257 1 836 . 1 1 80 80 LEU HD23 H 1 0.490 0.030 . 1 . . . . 80 LEU HD2 . 11257 1 837 . 1 1 80 80 LEU HG H 1 1.820 0.030 . 1 . . . . 80 LEU HG . 11257 1 838 . 1 1 80 80 LEU C C 13 180.528 0.300 . 1 . . . . 80 LEU C . 11257 1 839 . 1 1 80 80 LEU CA C 13 57.556 0.300 . 1 . . . . 80 LEU CA . 11257 1 840 . 1 1 80 80 LEU CB C 13 40.921 0.300 . 1 . . . . 80 LEU CB . 11257 1 841 . 1 1 80 80 LEU CD1 C 13 26.250 0.300 . 2 . . . . 80 LEU CD1 . 11257 1 842 . 1 1 80 80 LEU CD2 C 13 20.681 0.300 . 2 . . . . 80 LEU CD2 . 11257 1 843 . 1 1 80 80 LEU CG C 13 26.562 0.300 . 1 . . . . 80 LEU CG . 11257 1 844 . 1 1 80 80 LEU N N 15 117.247 0.300 . 1 . . . . 80 LEU N . 11257 1 845 . 1 1 81 81 GLY H H 1 9.595 0.030 . 1 . . . . 81 GLY H . 11257 1 846 . 1 1 81 81 GLY HA2 H 1 3.951 0.030 . 1 . . . . 81 GLY HA2 . 11257 1 847 . 1 1 81 81 GLY HA3 H 1 3.951 0.030 . 1 . . . . 81 GLY HA3 . 11257 1 848 . 1 1 81 81 GLY C C 13 177.629 0.300 . 1 . . . . 81 GLY C . 11257 1 849 . 1 1 81 81 GLY CA C 13 46.401 0.300 . 1 . . . . 81 GLY CA . 11257 1 850 . 1 1 81 81 GLY N N 15 106.650 0.300 . 1 . . . . 81 GLY N . 11257 1 851 . 1 1 82 82 ALA H H 1 7.910 0.030 . 1 . . . . 82 ALA H . 11257 1 852 . 1 1 82 82 ALA HA H 1 4.220 0.030 . 1 . . . . 82 ALA HA . 11257 1 853 . 1 1 82 82 ALA HB1 H 1 1.593 0.030 . 1 . . . . 82 ALA HB . 11257 1 854 . 1 1 82 82 ALA HB2 H 1 1.593 0.030 . 1 . . . . 82 ALA HB . 11257 1 855 . 1 1 82 82 ALA HB3 H 1 1.593 0.030 . 1 . . . . 82 ALA HB . 11257 1 856 . 1 1 82 82 ALA C C 13 179.929 0.300 . 1 . . . . 82 ALA C . 11257 1 857 . 1 1 82 82 ALA CA C 13 54.547 0.300 . 1 . . . . 82 ALA CA . 11257 1 858 . 1 1 82 82 ALA CB C 13 18.362 0.300 . 1 . . . . 82 ALA CB . 11257 1 859 . 1 1 82 82 ALA N N 15 126.288 0.300 . 1 . . . . 82 ALA N . 11257 1 860 . 1 1 83 83 LEU H H 1 7.308 0.030 . 1 . . . . 83 LEU H . 11257 1 861 . 1 1 83 83 LEU HA H 1 4.197 0.030 . 1 . . . . 83 LEU HA . 11257 1 862 . 1 1 83 83 LEU HB2 H 1 1.864 0.030 . 2 . . . . 83 LEU HB2 . 11257 1 863 . 1 1 83 83 LEU HB3 H 1 1.440 0.030 . 2 . . . . 83 LEU HB3 . 11257 1 864 . 1 1 83 83 LEU HD11 H 1 0.583 0.030 . 1 . . . . 83 LEU HD1 . 11257 1 865 . 1 1 83 83 LEU HD12 H 1 0.583 0.030 . 1 . . . . 83 LEU HD1 . 11257 1 866 . 1 1 83 83 LEU HD13 H 1 0.583 0.030 . 1 . . . . 83 LEU HD1 . 11257 1 867 . 1 1 83 83 LEU HD21 H 1 0.877 0.030 . 1 . . . . 83 LEU HD2 . 11257 1 868 . 1 1 83 83 LEU HD22 H 1 0.877 0.030 . 1 . . . . 83 LEU HD2 . 11257 1 869 . 1 1 83 83 LEU HD23 H 1 0.877 0.030 . 1 . . . . 83 LEU HD2 . 11257 1 870 . 1 1 83 83 LEU HG H 1 1.818 0.030 . 1 . . . . 83 LEU HG . 11257 1 871 . 1 1 83 83 LEU C C 13 176.063 0.300 . 1 . . . . 83 LEU C . 11257 1 872 . 1 1 83 83 LEU CA C 13 54.914 0.300 . 1 . . . . 83 LEU CA . 11257 1 873 . 1 1 83 83 LEU CB C 13 42.555 0.300 . 1 . . . . 83 LEU CB . 11257 1 874 . 1 1 83 83 LEU CD1 C 13 26.138 0.300 . 2 . . . . 83 LEU CD1 . 11257 1 875 . 1 1 83 83 LEU CD2 C 13 22.193 0.300 . 2 . . . . 83 LEU CD2 . 11257 1 876 . 1 1 83 83 LEU CG C 13 26.094 0.300 . 1 . . . . 83 LEU CG . 11257 1 877 . 1 1 83 83 LEU N N 15 116.090 0.300 . 1 . . . . 83 LEU N . 11257 1 878 . 1 1 84 84 LYS H H 1 7.830 0.030 . 1 . . . . 84 LYS H . 11257 1 879 . 1 1 84 84 LYS HA H 1 3.887 0.030 . 1 . . . . 84 LYS HA . 11257 1 880 . 1 1 84 84 LYS HB2 H 1 2.063 0.030 . 2 . . . . 84 LYS HB2 . 11257 1 881 . 1 1 84 84 LYS HB3 H 1 1.886 0.030 . 2 . . . . 84 LYS HB3 . 11257 1 882 . 1 1 84 84 LYS HD2 H 1 1.730 0.030 . 2 . . . . 84 LYS HD2 . 11257 1 883 . 1 1 84 84 LYS HD3 H 1 1.444 0.030 . 2 . . . . 84 LYS HD3 . 11257 1 884 . 1 1 84 84 LYS HE2 H 1 3.025 0.030 . 1 . . . . 84 LYS HE2 . 11257 1 885 . 1 1 84 84 LYS HE3 H 1 3.025 0.030 . 1 . . . . 84 LYS HE3 . 11257 1 886 . 1 1 84 84 LYS HG2 H 1 1.357 0.030 . 2 . . . . 84 LYS HG2 . 11257 1 887 . 1 1 84 84 LYS HG3 H 1 1.383 0.030 . 2 . . . . 84 LYS HG3 . 11257 1 888 . 1 1 84 84 LYS C C 13 176.132 0.300 . 1 . . . . 84 LYS C . 11257 1 889 . 1 1 84 84 LYS CA C 13 56.654 0.300 . 1 . . . . 84 LYS CA . 11257 1 890 . 1 1 84 84 LYS CB C 13 28.525 0.300 . 1 . . . . 84 LYS CB . 11257 1 891 . 1 1 84 84 LYS CD C 13 29.992 0.300 . 1 . . . . 84 LYS CD . 11257 1 892 . 1 1 84 84 LYS CE C 13 42.392 0.300 . 1 . . . . 84 LYS CE . 11257 1 893 . 1 1 84 84 LYS CG C 13 24.691 0.300 . 1 . . . . 84 LYS CG . 11257 1 894 . 1 1 84 84 LYS N N 15 113.975 0.300 . 1 . . . . 84 LYS N . 11257 1 895 . 1 1 85 85 LEU H H 1 7.195 0.030 . 1 . . . . 85 LEU H . 11257 1 896 . 1 1 85 85 LEU HA H 1 4.302 0.030 . 1 . . . . 85 LEU HA . 11257 1 897 . 1 1 85 85 LEU HB2 H 1 1.313 0.030 . 2 . . . . 85 LEU HB2 . 11257 1 898 . 1 1 85 85 LEU HB3 H 1 1.405 0.030 . 2 . . . . 85 LEU HB3 . 11257 1 899 . 1 1 85 85 LEU HD11 H 1 0.687 0.030 . 1 . . . . 85 LEU HD1 . 11257 1 900 . 1 1 85 85 LEU HD12 H 1 0.687 0.030 . 1 . . . . 85 LEU HD1 . 11257 1 901 . 1 1 85 85 LEU HD13 H 1 0.687 0.030 . 1 . . . . 85 LEU HD1 . 11257 1 902 . 1 1 85 85 LEU HD21 H 1 0.704 0.030 . 1 . . . . 85 LEU HD2 . 11257 1 903 . 1 1 85 85 LEU HD22 H 1 0.704 0.030 . 1 . . . . 85 LEU HD2 . 11257 1 904 . 1 1 85 85 LEU HD23 H 1 0.704 0.030 . 1 . . . . 85 LEU HD2 . 11257 1 905 . 1 1 85 85 LEU HG H 1 1.717 0.030 . 1 . . . . 85 LEU HG . 11257 1 906 . 1 1 85 85 LEU C C 13 175.247 0.300 . 1 . . . . 85 LEU C . 11257 1 907 . 1 1 85 85 LEU CA C 13 53.134 0.300 . 1 . . . . 85 LEU CA . 11257 1 908 . 1 1 85 85 LEU CB C 13 39.799 0.300 . 1 . . . . 85 LEU CB . 11257 1 909 . 1 1 85 85 LEU CD1 C 13 22.436 0.300 . 2 . . . . 85 LEU CD1 . 11257 1 910 . 1 1 85 85 LEU CD2 C 13 27.406 0.300 . 2 . . . . 85 LEU CD2 . 11257 1 911 . 1 1 85 85 LEU CG C 13 26.874 0.300 . 1 . . . . 85 LEU CG . 11257 1 912 . 1 1 85 85 LEU N N 15 118.163 0.300 . 1 . . . . 85 LEU N . 11257 1 913 . 1 1 86 86 PRO HA H 1 4.359 0.030 . 1 . . . . 86 PRO HA . 11257 1 914 . 1 1 86 86 PRO HB2 H 1 2.245 0.030 . 2 . . . . 86 PRO HB2 . 11257 1 915 . 1 1 86 86 PRO HB3 H 1 1.783 0.030 . 2 . . . . 86 PRO HB3 . 11257 1 916 . 1 1 86 86 PRO HD2 H 1 3.529 0.030 . 2 . . . . 86 PRO HD2 . 11257 1 917 . 1 1 86 86 PRO HD3 H 1 3.788 0.030 . 2 . . . . 86 PRO HD3 . 11257 1 918 . 1 1 86 86 PRO HG2 H 1 2.097 0.030 . 1 . . . . 86 PRO HG2 . 11257 1 919 . 1 1 86 86 PRO HG3 H 1 2.097 0.030 . 1 . . . . 86 PRO HG3 . 11257 1 920 . 1 1 86 86 PRO C C 13 177.125 0.300 . 1 . . . . 86 PRO C . 11257 1 921 . 1 1 86 86 PRO CA C 13 62.329 0.300 . 1 . . . . 86 PRO CA . 11257 1 922 . 1 1 86 86 PRO CB C 13 31.551 0.300 . 1 . . . . 86 PRO CB . 11257 1 923 . 1 1 86 86 PRO CD C 13 50.083 0.300 . 1 . . . . 86 PRO CD . 11257 1 924 . 1 1 86 86 PRO CG C 13 27.593 0.300 . 1 . . . . 86 PRO CG . 11257 1 925 . 1 1 87 87 PHE H H 1 8.322 0.030 . 1 . . . . 87 PHE H . 11257 1 926 . 1 1 87 87 PHE HA H 1 4.536 0.030 . 1 . . . . 87 PHE HA . 11257 1 927 . 1 1 87 87 PHE HB2 H 1 3.383 0.030 . 2 . . . . 87 PHE HB2 . 11257 1 928 . 1 1 87 87 PHE HB3 H 1 2.951 0.030 . 2 . . . . 87 PHE HB3 . 11257 1 929 . 1 1 87 87 PHE HD1 H 1 7.244 0.030 . 1 . . . . 87 PHE HD1 . 11257 1 930 . 1 1 87 87 PHE HD2 H 1 7.244 0.030 . 1 . . . . 87 PHE HD2 . 11257 1 931 . 1 1 87 87 PHE HE1 H 1 7.309 0.030 . 1 . . . . 87 PHE HE1 . 11257 1 932 . 1 1 87 87 PHE HE2 H 1 7.309 0.030 . 1 . . . . 87 PHE HE2 . 11257 1 933 . 1 1 87 87 PHE HZ H 1 7.284 0.030 . 1 . . . . 87 PHE HZ . 11257 1 934 . 1 1 87 87 PHE C C 13 178.296 0.300 . 1 . . . . 87 PHE C . 11257 1 935 . 1 1 87 87 PHE CA C 13 56.800 0.300 . 1 . . . . 87 PHE CA . 11257 1 936 . 1 1 87 87 PHE CB C 13 38.740 0.300 . 1 . . . . 87 PHE CB . 11257 1 937 . 1 1 87 87 PHE CD1 C 13 130.969 0.300 . 1 . . . . 87 PHE CD1 . 11257 1 938 . 1 1 87 87 PHE CD2 C 13 130.969 0.300 . 1 . . . . 87 PHE CD2 . 11257 1 939 . 1 1 87 87 PHE CE1 C 13 130.969 0.300 . 1 . . . . 87 PHE CE1 . 11257 1 940 . 1 1 87 87 PHE CE2 C 13 130.969 0.300 . 1 . . . . 87 PHE CE2 . 11257 1 941 . 1 1 87 87 PHE CZ C 13 129.262 0.300 . 1 . . . . 87 PHE CZ . 11257 1 942 . 1 1 87 87 PHE N N 15 122.575 0.300 . 1 . . . . 87 PHE N . 11257 1 943 . 1 1 88 88 GLY H H 1 9.307 0.030 . 1 . . . . 88 GLY H . 11257 1 944 . 1 1 88 88 GLY HA2 H 1 3.988 0.030 . 2 . . . . 88 GLY HA2 . 11257 1 945 . 1 1 88 88 GLY HA3 H 1 3.768 0.030 . 2 . . . . 88 GLY HA3 . 11257 1 946 . 1 1 88 88 GLY C C 13 173.341 0.300 . 1 . . . . 88 GLY C . 11257 1 947 . 1 1 88 88 GLY CA C 13 46.762 0.300 . 1 . . . . 88 GLY CA . 11257 1 948 . 1 1 88 88 GLY N N 15 108.730 0.300 . 1 . . . . 88 GLY N . 11257 1 949 . 1 1 89 89 LYS H H 1 7.068 0.030 . 1 . . . . 89 LYS H . 11257 1 950 . 1 1 89 89 LYS HA H 1 4.755 0.030 . 1 . . . . 89 LYS HA . 11257 1 951 . 1 1 89 89 LYS HB2 H 1 1.989 0.030 . 2 . . . . 89 LYS HB2 . 11257 1 952 . 1 1 89 89 LYS HB3 H 1 1.578 0.030 . 2 . . . . 89 LYS HB3 . 11257 1 953 . 1 1 89 89 LYS HD2 H 1 1.676 0.030 . 2 . . . . 89 LYS HD2 . 11257 1 954 . 1 1 89 89 LYS HD3 H 1 1.769 0.030 . 2 . . . . 89 LYS HD3 . 11257 1 955 . 1 1 89 89 LYS HE2 H 1 3.068 0.030 . 1 . . . . 89 LYS HE2 . 11257 1 956 . 1 1 89 89 LYS HE3 H 1 3.068 0.030 . 1 . . . . 89 LYS HE3 . 11257 1 957 . 1 1 89 89 LYS HG2 H 1 1.408 0.030 . 2 . . . . 89 LYS HG2 . 11257 1 958 . 1 1 89 89 LYS HG3 H 1 1.463 0.030 . 2 . . . . 89 LYS HG3 . 11257 1 959 . 1 1 89 89 LYS C C 13 176.105 0.300 . 1 . . . . 89 LYS C . 11257 1 960 . 1 1 89 89 LYS CA C 13 53.870 0.300 . 1 . . . . 89 LYS CA . 11257 1 961 . 1 1 89 89 LYS CB C 13 36.632 0.300 . 1 . . . . 89 LYS CB . 11257 1 962 . 1 1 89 89 LYS CD C 13 28.909 0.300 . 1 . . . . 89 LYS CD . 11257 1 963 . 1 1 89 89 LYS CE C 13 42.310 0.300 . 1 . . . . 89 LYS CE . 11257 1 964 . 1 1 89 89 LYS CG C 13 24.691 0.300 . 1 . . . . 89 LYS CG . 11257 1 965 . 1 1 89 89 LYS N N 15 116.254 0.300 . 1 . . . . 89 LYS N . 11257 1 966 . 1 1 90 90 THR H H 1 8.805 0.030 . 1 . . . . 90 THR H . 11257 1 967 . 1 1 90 90 THR HA H 1 5.360 0.030 . 1 . . . . 90 THR HA . 11257 1 968 . 1 1 90 90 THR HB H 1 4.003 0.030 . 1 . . . . 90 THR HB . 11257 1 969 . 1 1 90 90 THR HG21 H 1 1.030 0.030 . 1 . . . . 90 THR HG2 . 11257 1 970 . 1 1 90 90 THR HG22 H 1 1.030 0.030 . 1 . . . . 90 THR HG2 . 11257 1 971 . 1 1 90 90 THR HG23 H 1 1.030 0.030 . 1 . . . . 90 THR HG2 . 11257 1 972 . 1 1 90 90 THR C C 13 174.824 0.300 . 1 . . . . 90 THR C . 11257 1 973 . 1 1 90 90 THR CA C 13 62.444 0.300 . 1 . . . . 90 THR CA . 11257 1 974 . 1 1 90 90 THR CB C 13 69.466 0.300 . 1 . . . . 90 THR CB . 11257 1 975 . 1 1 90 90 THR CG2 C 13 22.490 0.300 . 1 . . . . 90 THR CG2 . 11257 1 976 . 1 1 90 90 THR N N 15 121.531 0.300 . 1 . . . . 90 THR N . 11257 1 977 . 1 1 91 91 THR H H 1 9.042 0.030 . 1 . . . . 91 THR H . 11257 1 978 . 1 1 91 91 THR HA H 1 4.607 0.030 . 1 . . . . 91 THR HA . 11257 1 979 . 1 1 91 91 THR HB H 1 3.783 0.030 . 1 . . . . 91 THR HB . 11257 1 980 . 1 1 91 91 THR HG21 H 1 1.268 0.030 . 1 . . . . 91 THR HG2 . 11257 1 981 . 1 1 91 91 THR HG22 H 1 1.268 0.030 . 1 . . . . 91 THR HG2 . 11257 1 982 . 1 1 91 91 THR HG23 H 1 1.268 0.030 . 1 . . . . 91 THR HG2 . 11257 1 983 . 1 1 91 91 THR C C 13 172.565 0.300 . 1 . . . . 91 THR C . 11257 1 984 . 1 1 91 91 THR CA C 13 62.977 0.300 . 1 . . . . 91 THR CA . 11257 1 985 . 1 1 91 91 THR CB C 13 71.407 0.300 . 1 . . . . 91 THR CB . 11257 1 986 . 1 1 91 91 THR CG2 C 13 22.567 0.300 . 1 . . . . 91 THR CG2 . 11257 1 987 . 1 1 91 91 THR N N 15 126.380 0.300 . 1 . . . . 91 THR N . 11257 1 988 . 1 1 92 92 VAL H H 1 8.755 0.030 . 1 . . . . 92 VAL H . 11257 1 989 . 1 1 92 92 VAL HA H 1 4.992 0.030 . 1 . . . . 92 VAL HA . 11257 1 990 . 1 1 92 92 VAL HB H 1 2.049 0.030 . 1 . . . . 92 VAL HB . 11257 1 991 . 1 1 92 92 VAL HG11 H 1 1.058 0.030 . 1 . . . . 92 VAL HG1 . 11257 1 992 . 1 1 92 92 VAL HG12 H 1 1.058 0.030 . 1 . . . . 92 VAL HG1 . 11257 1 993 . 1 1 92 92 VAL HG13 H 1 1.058 0.030 . 1 . . . . 92 VAL HG1 . 11257 1 994 . 1 1 92 92 VAL HG21 H 1 0.884 0.030 . 1 . . . . 92 VAL HG2 . 11257 1 995 . 1 1 92 92 VAL HG22 H 1 0.884 0.030 . 1 . . . . 92 VAL HG2 . 11257 1 996 . 1 1 92 92 VAL HG23 H 1 0.884 0.030 . 1 . . . . 92 VAL HG2 . 11257 1 997 . 1 1 92 92 VAL C C 13 176.459 0.300 . 1 . . . . 92 VAL C . 11257 1 998 . 1 1 92 92 VAL CA C 13 61.910 0.300 . 1 . . . . 92 VAL CA . 11257 1 999 . 1 1 92 92 VAL CB C 13 33.110 0.300 . 1 . . . . 92 VAL CB . 11257 1 1000 . 1 1 92 92 VAL CG1 C 13 22.357 0.300 . 2 . . . . 92 VAL CG1 . 11257 1 1001 . 1 1 92 92 VAL CG2 C 13 21.586 0.300 . 2 . . . . 92 VAL CG2 . 11257 1 1002 . 1 1 92 92 VAL N N 15 128.725 0.300 . 1 . . . . 92 VAL N . 11257 1 1003 . 1 1 93 93 MET H H 1 8.968 0.030 . 1 . . . . 93 MET H . 11257 1 1004 . 1 1 93 93 MET HA H 1 5.071 0.030 . 1 . . . . 93 MET HA . 11257 1 1005 . 1 1 93 93 MET HB2 H 1 1.684 0.030 . 2 . . . . 93 MET HB2 . 11257 1 1006 . 1 1 93 93 MET HB3 H 1 2.066 0.030 . 2 . . . . 93 MET HB3 . 11257 1 1007 . 1 1 93 93 MET HE1 H 1 1.401 0.030 . 1 . . . . 93 MET HE . 11257 1 1008 . 1 1 93 93 MET HE2 H 1 1.401 0.030 . 1 . . . . 93 MET HE . 11257 1 1009 . 1 1 93 93 MET HE3 H 1 1.401 0.030 . 1 . . . . 93 MET HE . 11257 1 1010 . 1 1 93 93 MET HG2 H 1 2.935 0.030 . 2 . . . . 93 MET HG2 . 11257 1 1011 . 1 1 93 93 MET HG3 H 1 2.370 0.030 . 2 . . . . 93 MET HG3 . 11257 1 1012 . 1 1 93 93 MET C C 13 173.885 0.300 . 1 . . . . 93 MET C . 11257 1 1013 . 1 1 93 93 MET CA C 13 55.790 0.300 . 1 . . . . 93 MET CA . 11257 1 1014 . 1 1 93 93 MET CB C 13 37.478 0.300 . 1 . . . . 93 MET CB . 11257 1 1015 . 1 1 93 93 MET CE C 13 18.205 0.300 . 1 . . . . 93 MET CE . 11257 1 1016 . 1 1 93 93 MET CG C 13 35.081 0.300 . 1 . . . . 93 MET CG . 11257 1 1017 . 1 1 93 93 MET N N 15 123.541 0.300 . 1 . . . . 93 MET N . 11257 1 1018 . 1 1 94 94 HIS H H 1 8.401 0.030 . 1 . . . . 94 HIS H . 11257 1 1019 . 1 1 94 94 HIS HA H 1 5.239 0.030 . 1 . . . . 94 HIS HA . 11257 1 1020 . 1 1 94 94 HIS HB2 H 1 2.821 0.030 . 2 . . . . 94 HIS HB2 . 11257 1 1021 . 1 1 94 94 HIS HB3 H 1 3.220 0.030 . 2 . . . . 94 HIS HB3 . 11257 1 1022 . 1 1 94 94 HIS HD2 H 1 6.877 0.030 . 1 . . . . 94 HIS HD2 . 11257 1 1023 . 1 1 94 94 HIS HE1 H 1 7.966 0.030 . 1 . . . . 94 HIS HE1 . 11257 1 1024 . 1 1 94 94 HIS C C 13 173.355 0.300 . 1 . . . . 94 HIS C . 11257 1 1025 . 1 1 94 94 HIS CA C 13 56.105 0.300 . 1 . . . . 94 HIS CA . 11257 1 1026 . 1 1 94 94 HIS CB C 13 31.600 0.300 . 1 . . . . 94 HIS CB . 11257 1 1027 . 1 1 94 94 HIS CD2 C 13 118.757 0.300 . 1 . . . . 94 HIS CD2 . 11257 1 1028 . 1 1 94 94 HIS CE1 C 13 137.325 0.300 . 1 . . . . 94 HIS CE1 . 11257 1 1029 . 1 1 94 94 HIS N N 15 118.551 0.300 . 1 . . . . 94 HIS N . 11257 1 1030 . 1 1 95 95 LEU H H 1 8.296 0.030 . 1 . . . . 95 LEU H . 11257 1 1031 . 1 1 95 95 LEU HA H 1 5.426 0.030 . 1 . . . . 95 LEU HA . 11257 1 1032 . 1 1 95 95 LEU HB2 H 1 1.826 0.030 . 2 . . . . 95 LEU HB2 . 11257 1 1033 . 1 1 95 95 LEU HB3 H 1 1.213 0.030 . 2 . . . . 95 LEU HB3 . 11257 1 1034 . 1 1 95 95 LEU HD11 H 1 1.119 0.030 . 1 . . . . 95 LEU HD1 . 11257 1 1035 . 1 1 95 95 LEU HD12 H 1 1.119 0.030 . 1 . . . . 95 LEU HD1 . 11257 1 1036 . 1 1 95 95 LEU HD13 H 1 1.119 0.030 . 1 . . . . 95 LEU HD1 . 11257 1 1037 . 1 1 95 95 LEU HD21 H 1 1.064 0.030 . 1 . . . . 95 LEU HD2 . 11257 1 1038 . 1 1 95 95 LEU HD22 H 1 1.064 0.030 . 1 . . . . 95 LEU HD2 . 11257 1 1039 . 1 1 95 95 LEU HD23 H 1 1.064 0.030 . 1 . . . . 95 LEU HD2 . 11257 1 1040 . 1 1 95 95 LEU HG H 1 1.563 0.030 . 1 . . . . 95 LEU HG . 11257 1 1041 . 1 1 95 95 LEU C C 13 175.478 0.300 . 1 . . . . 95 LEU C . 11257 1 1042 . 1 1 95 95 LEU CA C 13 53.525 0.300 . 1 . . . . 95 LEU CA . 11257 1 1043 . 1 1 95 95 LEU CB C 13 45.659 0.300 . 1 . . . . 95 LEU CB . 11257 1 1044 . 1 1 95 95 LEU CD1 C 13 27.233 0.300 . 2 . . . . 95 LEU CD1 . 11257 1 1045 . 1 1 95 95 LEU CD2 C 13 24.717 0.300 . 2 . . . . 95 LEU CD2 . 11257 1 1046 . 1 1 95 95 LEU CG C 13 27.089 0.300 . 1 . . . . 95 LEU CG . 11257 1 1047 . 1 1 95 95 LEU N N 15 125.190 0.300 . 1 . . . . 95 LEU N . 11257 1 1048 . 1 1 96 96 VAL H H 1 9.227 0.030 . 1 . . . . 96 VAL H . 11257 1 1049 . 1 1 96 96 VAL HA H 1 4.715 0.030 . 1 . . . . 96 VAL HA . 11257 1 1050 . 1 1 96 96 VAL HB H 1 2.229 0.030 . 1 . . . . 96 VAL HB . 11257 1 1051 . 1 1 96 96 VAL HG11 H 1 0.934 0.030 . 1 . . . . 96 VAL HG1 . 11257 1 1052 . 1 1 96 96 VAL HG12 H 1 0.934 0.030 . 1 . . . . 96 VAL HG1 . 11257 1 1053 . 1 1 96 96 VAL HG13 H 1 0.934 0.030 . 1 . . . . 96 VAL HG1 . 11257 1 1054 . 1 1 96 96 VAL HG21 H 1 0.964 0.030 . 1 . . . . 96 VAL HG2 . 11257 1 1055 . 1 1 96 96 VAL HG22 H 1 0.964 0.030 . 1 . . . . 96 VAL HG2 . 11257 1 1056 . 1 1 96 96 VAL HG23 H 1 0.964 0.030 . 1 . . . . 96 VAL HG2 . 11257 1 1057 . 1 1 96 96 VAL C C 13 173.300 0.300 . 1 . . . . 96 VAL C . 11257 1 1058 . 1 1 96 96 VAL CA C 13 59.513 0.300 . 1 . . . . 96 VAL CA . 11257 1 1059 . 1 1 96 96 VAL CB C 13 35.906 0.300 . 1 . . . . 96 VAL CB . 11257 1 1060 . 1 1 96 96 VAL CG1 C 13 19.927 0.300 . 2 . . . . 96 VAL CG1 . 11257 1 1061 . 1 1 96 96 VAL CG2 C 13 21.654 0.300 . 2 . . . . 96 VAL CG2 . 11257 1 1062 . 1 1 96 96 VAL N N 15 121.066 0.300 . 1 . . . . 96 VAL N . 11257 1 1063 . 1 1 97 97 ALA H H 1 8.655 0.030 . 1 . . . . 97 ALA H . 11257 1 1064 . 1 1 97 97 ALA HA H 1 5.083 0.030 . 1 . . . . 97 ALA HA . 11257 1 1065 . 1 1 97 97 ALA HB1 H 1 1.383 0.030 . 1 . . . . 97 ALA HB . 11257 1 1066 . 1 1 97 97 ALA HB2 H 1 1.383 0.030 . 1 . . . . 97 ALA HB . 11257 1 1067 . 1 1 97 97 ALA HB3 H 1 1.383 0.030 . 1 . . . . 97 ALA HB . 11257 1 1068 . 1 1 97 97 ALA C C 13 177.316 0.300 . 1 . . . . 97 ALA C . 11257 1 1069 . 1 1 97 97 ALA CA C 13 50.541 0.300 . 1 . . . . 97 ALA CA . 11257 1 1070 . 1 1 97 97 ALA CB C 13 20.146 0.300 . 1 . . . . 97 ALA CB . 11257 1 1071 . 1 1 97 97 ALA N N 15 125.172 0.300 . 1 . . . . 97 ALA N . 11257 1 1072 . 1 1 98 98 ARG H H 1 8.809 0.030 . 1 . . . . 98 ARG H . 11257 1 1073 . 1 1 98 98 ARG HA H 1 4.471 0.030 . 1 . . . . 98 ARG HA . 11257 1 1074 . 1 1 98 98 ARG HB2 H 1 1.687 0.030 . 2 . . . . 98 ARG HB2 . 11257 1 1075 . 1 1 98 98 ARG HB3 H 1 1.793 0.030 . 2 . . . . 98 ARG HB3 . 11257 1 1076 . 1 1 98 98 ARG HD2 H 1 3.145 0.030 . 1 . . . . 98 ARG HD2 . 11257 1 1077 . 1 1 98 98 ARG HD3 H 1 3.145 0.030 . 1 . . . . 98 ARG HD3 . 11257 1 1078 . 1 1 98 98 ARG HE H 1 7.214 0.030 . 1 . . . . 98 ARG HE . 11257 1 1079 . 1 1 98 98 ARG HG2 H 1 1.582 0.030 . 1 . . . . 98 ARG HG2 . 11257 1 1080 . 1 1 98 98 ARG HG3 H 1 1.582 0.030 . 1 . . . . 98 ARG HG3 . 11257 1 1081 . 1 1 98 98 ARG C C 13 174.920 0.300 . 1 . . . . 98 ARG C . 11257 1 1082 . 1 1 98 98 ARG CA C 13 55.459 0.300 . 1 . . . . 98 ARG CA . 11257 1 1083 . 1 1 98 98 ARG CB C 13 32.251 0.300 . 1 . . . . 98 ARG CB . 11257 1 1084 . 1 1 98 98 ARG CD C 13 43.379 0.300 . 1 . . . . 98 ARG CD . 11257 1 1085 . 1 1 98 98 ARG CG C 13 27.186 0.300 . 1 . . . . 98 ARG CG . 11257 1 1086 . 1 1 98 98 ARG N N 15 122.967 0.300 . 1 . . . . 98 ARG N . 11257 1 1087 . 1 1 98 98 ARG NE N 15 84.346 0.300 . 1 . . . . 98 ARG NE . 11257 1 1088 . 1 1 99 99 GLU H H 1 8.852 0.030 . 1 . . . . 99 GLU H . 11257 1 1089 . 1 1 99 99 GLU HA H 1 4.190 0.030 . 1 . . . . 99 GLU HA . 11257 1 1090 . 1 1 99 99 GLU HB2 H 1 1.978 0.030 . 2 . . . . 99 GLU HB2 . 11257 1 1091 . 1 1 99 99 GLU HB3 H 1 2.065 0.030 . 2 . . . . 99 GLU HB3 . 11257 1 1092 . 1 1 99 99 GLU HG2 H 1 2.239 0.030 . 1 . . . . 99 GLU HG2 . 11257 1 1093 . 1 1 99 99 GLU HG3 H 1 2.239 0.030 . 1 . . . . 99 GLU HG3 . 11257 1 1094 . 1 1 99 99 GLU C C 13 176.240 0.300 . 1 . . . . 99 GLU C . 11257 1 1095 . 1 1 99 99 GLU CA C 13 57.692 0.300 . 1 . . . . 99 GLU CA . 11257 1 1096 . 1 1 99 99 GLU CB C 13 30.314 0.300 . 1 . . . . 99 GLU CB . 11257 1 1097 . 1 1 99 99 GLU CG C 13 36.308 0.300 . 1 . . . . 99 GLU CG . 11257 1 1098 . 1 1 99 99 GLU N N 15 124.516 0.300 . 1 . . . . 99 GLU N . 11257 1 1099 . 1 1 100 100 THR H H 1 8.062 0.030 . 1 . . . . 100 THR H . 11257 1 1100 . 1 1 100 100 THR HA H 1 4.366 0.030 . 1 . . . . 100 THR HA . 11257 1 1101 . 1 1 100 100 THR HB H 1 4.093 0.030 . 1 . . . . 100 THR HB . 11257 1 1102 . 1 1 100 100 THR HG21 H 1 1.158 0.030 . 1 . . . . 100 THR HG2 . 11257 1 1103 . 1 1 100 100 THR HG22 H 1 1.158 0.030 . 1 . . . . 100 THR HG2 . 11257 1 1104 . 1 1 100 100 THR HG23 H 1 1.158 0.030 . 1 . . . . 100 THR HG2 . 11257 1 1105 . 1 1 100 100 THR C C 13 173.790 0.300 . 1 . . . . 100 THR C . 11257 1 1106 . 1 1 100 100 THR CA C 13 61.031 0.300 . 1 . . . . 100 THR CA . 11257 1 1107 . 1 1 100 100 THR CB C 13 70.406 0.300 . 1 . . . . 100 THR CB . 11257 1 1108 . 1 1 100 100 THR CG2 C 13 21.746 0.300 . 1 . . . . 100 THR CG2 . 11257 1 1109 . 1 1 100 100 THR N N 15 113.993 0.300 . 1 . . . . 100 THR N . 11257 1 1110 . 1 1 101 101 LEU H H 1 8.408 0.030 . 1 . . . . 101 LEU H . 11257 1 1111 . 1 1 101 101 LEU HA H 1 4.473 0.030 . 1 . . . . 101 LEU HA . 11257 1 1112 . 1 1 101 101 LEU HB2 H 1 1.477 0.030 . 2 . . . . 101 LEU HB2 . 11257 1 1113 . 1 1 101 101 LEU HB3 H 1 1.542 0.030 . 2 . . . . 101 LEU HB3 . 11257 1 1114 . 1 1 101 101 LEU HD11 H 1 0.704 0.030 . 1 . . . . 101 LEU HD1 . 11257 1 1115 . 1 1 101 101 LEU HD12 H 1 0.704 0.030 . 1 . . . . 101 LEU HD1 . 11257 1 1116 . 1 1 101 101 LEU HD13 H 1 0.704 0.030 . 1 . . . . 101 LEU HD1 . 11257 1 1117 . 1 1 101 101 LEU HD21 H 1 0.814 0.030 . 1 . . . . 101 LEU HD2 . 11257 1 1118 . 1 1 101 101 LEU HD22 H 1 0.814 0.030 . 1 . . . . 101 LEU HD2 . 11257 1 1119 . 1 1 101 101 LEU HD23 H 1 0.814 0.030 . 1 . . . . 101 LEU HD2 . 11257 1 1120 . 1 1 101 101 LEU HG H 1 1.550 0.030 . 1 . . . . 101 LEU HG . 11257 1 1121 . 1 1 101 101 LEU C C 13 174.920 0.300 . 1 . . . . 101 LEU C . 11257 1 1122 . 1 1 101 101 LEU CA C 13 52.897 0.300 . 1 . . . . 101 LEU CA . 11257 1 1123 . 1 1 101 101 LEU CB C 13 41.734 0.300 . 1 . . . . 101 LEU CB . 11257 1 1124 . 1 1 101 101 LEU CD1 C 13 23.378 0.300 . 2 . . . . 101 LEU CD1 . 11257 1 1125 . 1 1 101 101 LEU CD2 C 13 25.003 0.300 . 2 . . . . 101 LEU CD2 . 11257 1 1126 . 1 1 101 101 LEU CG C 13 27.186 0.300 . 1 . . . . 101 LEU CG . 11257 1 1127 . 1 1 101 101 LEU N N 15 125.823 0.300 . 1 . . . . 101 LEU N . 11257 1 1128 . 1 1 102 102 PRO HA H 1 4.394 0.030 . 1 . . . . 102 PRO HA . 11257 1 1129 . 1 1 102 102 PRO HB2 H 1 1.858 0.030 . 1 . . . . 102 PRO HB2 . 11257 1 1130 . 1 1 102 102 PRO HB3 H 1 1.858 0.030 . 1 . . . . 102 PRO HB3 . 11257 1 1131 . 1 1 102 102 PRO HD2 H 1 3.473 0.030 . 2 . . . . 102 PRO HD2 . 11257 1 1132 . 1 1 102 102 PRO HD3 H 1 3.626 0.030 . 2 . . . . 102 PRO HD3 . 11257 1 1133 . 1 1 102 102 PRO C C 13 176.444 0.300 . 1 . . . . 102 PRO C . 11257 1 1134 . 1 1 102 102 PRO CA C 13 62.818 0.300 . 1 . . . . 102 PRO CA . 11257 1 1135 . 1 1 102 102 PRO CB C 13 31.802 0.300 . 1 . . . . 102 PRO CB . 11257 1 1136 . 1 1 102 102 PRO CD C 13 50.409 0.300 . 1 . . . . 102 PRO CD . 11257 1 1137 . 1 1 102 102 PRO CG C 13 27.429 0.300 . 1 . . . . 102 PRO CG . 11257 1 1138 . 1 1 103 103 GLU H H 1 8.442 0.030 . 1 . . . . 103 GLU H . 11257 1 1139 . 1 1 103 103 GLU HA H 1 4.550 0.030 . 1 . . . . 103 GLU HA . 11257 1 1140 . 1 1 103 103 GLU HB2 H 1 1.905 0.030 . 2 . . . . 103 GLU HB2 . 11257 1 1141 . 1 1 103 103 GLU HB3 H 1 2.068 0.030 . 2 . . . . 103 GLU HB3 . 11257 1 1142 . 1 1 103 103 GLU HG2 H 1 2.332 0.030 . 1 . . . . 103 GLU HG2 . 11257 1 1143 . 1 1 103 103 GLU HG3 H 1 2.332 0.030 . 1 . . . . 103 GLU HG3 . 11257 1 1144 . 1 1 103 103 GLU C C 13 175.029 0.300 . 1 . . . . 103 GLU C . 11257 1 1145 . 1 1 103 103 GLU CA C 13 54.309 0.300 . 1 . . . . 103 GLU CA . 11257 1 1146 . 1 1 103 103 GLU CB C 13 29.708 0.300 . 1 . . . . 103 GLU CB . 11257 1 1147 . 1 1 103 103 GLU CG C 13 35.917 0.300 . 1 . . . . 103 GLU CG . 11257 1 1148 . 1 1 103 103 GLU N N 15 122.553 0.300 . 1 . . . . 103 GLU N . 11257 1 1149 . 1 1 104 104 PRO HA H 1 4.413 0.030 . 1 . . . . 104 PRO HA . 11257 1 1150 . 1 1 104 104 PRO HB2 H 1 2.266 0.030 . 1 . . . . 104 PRO HB2 . 11257 1 1151 . 1 1 104 104 PRO HB3 H 1 2.266 0.030 . 1 . . . . 104 PRO HB3 . 11257 1 1152 . 1 1 104 104 PRO HD2 H 1 3.724 0.030 . 2 . . . . 104 PRO HD2 . 11257 1 1153 . 1 1 104 104 PRO HD3 H 1 3.814 0.030 . 2 . . . . 104 PRO HD3 . 11257 1 1154 . 1 1 104 104 PRO C C 13 176.831 0.300 . 1 . . . . 104 PRO C . 11257 1 1155 . 1 1 104 104 PRO CA C 13 63.566 0.300 . 1 . . . . 104 PRO CA . 11257 1 1156 . 1 1 104 104 PRO CB C 13 31.987 0.300 . 1 . . . . 104 PRO CB . 11257 1 1157 . 1 1 104 104 PRO CD C 13 50.713 0.300 . 1 . . . . 104 PRO CD . 11257 1 1158 . 1 1 104 104 PRO CG C 13 27.429 0.300 . 1 . . . . 104 PRO CG . 11257 1 1159 . 1 1 105 105 ASN H H 1 8.580 0.030 . 1 . . . . 105 ASN H . 11257 1 1160 . 1 1 105 105 ASN HA H 1 4.702 0.030 . 1 . . . . 105 ASN HA . 11257 1 1161 . 1 1 105 105 ASN HB2 H 1 2.878 0.030 . 1 . . . . 105 ASN HB2 . 11257 1 1162 . 1 1 105 105 ASN HB3 H 1 2.878 0.030 . 1 . . . . 105 ASN HB3 . 11257 1 1163 . 1 1 105 105 ASN HD21 H 1 7.643 0.030 . 2 . . . . 105 ASN HD21 . 11257 1 1164 . 1 1 105 105 ASN HD22 H 1 6.954 0.030 . 2 . . . . 105 ASN HD22 . 11257 1 1165 . 1 1 105 105 ASN C C 13 175.615 0.300 . 1 . . . . 105 ASN C . 11257 1 1166 . 1 1 105 105 ASN CA C 13 53.474 0.300 . 1 . . . . 105 ASN CA . 11257 1 1167 . 1 1 105 105 ASN CB C 13 38.760 0.300 . 1 . . . . 105 ASN CB . 11257 1 1168 . 1 1 105 105 ASN N N 15 118.290 0.300 . 1 . . . . 105 ASN N . 11257 1 1169 . 1 1 105 105 ASN ND2 N 15 112.958 0.300 . 1 . . . . 105 ASN ND2 . 11257 1 1170 . 1 1 106 106 SER H H 1 8.284 0.030 . 1 . . . . 106 SER H . 11257 1 1171 . 1 1 106 106 SER HA H 1 4.412 0.030 . 1 . . . . 106 SER HA . 11257 1 1172 . 1 1 106 106 SER HB2 H 1 3.873 0.030 . 1 . . . . 106 SER HB2 . 11257 1 1173 . 1 1 106 106 SER HB3 H 1 3.873 0.030 . 1 . . . . 106 SER HB3 . 11257 1 1174 . 1 1 106 106 SER C C 13 174.893 0.300 . 1 . . . . 106 SER C . 11257 1 1175 . 1 1 106 106 SER CA C 13 58.820 0.300 . 1 . . . . 106 SER CA . 11257 1 1176 . 1 1 106 106 SER CB C 13 63.730 0.300 . 1 . . . . 106 SER CB . 11257 1 1177 . 1 1 106 106 SER N N 15 116.140 0.300 . 1 . . . . 106 SER N . 11257 1 1178 . 1 1 107 107 GLN H H 1 8.430 0.030 . 1 . . . . 107 GLN H . 11257 1 1179 . 1 1 107 107 GLN HA H 1 4.367 0.030 . 1 . . . . 107 GLN HA . 11257 1 1180 . 1 1 107 107 GLN HB2 H 1 2.003 0.030 . 1 . . . . 107 GLN HB2 . 11257 1 1181 . 1 1 107 107 GLN HB3 H 1 2.003 0.030 . 1 . . . . 107 GLN HB3 . 11257 1 1182 . 1 1 107 107 GLN HE21 H 1 6.869 0.030 . 2 . . . . 107 GLN HE21 . 11257 1 1183 . 1 1 107 107 GLN HE22 H 1 7.536 0.030 . 2 . . . . 107 GLN HE22 . 11257 1 1184 . 1 1 107 107 GLN HG2 H 1 2.383 0.030 . 1 . . . . 107 GLN HG2 . 11257 1 1185 . 1 1 107 107 GLN HG3 H 1 2.383 0.030 . 1 . . . . 107 GLN HG3 . 11257 1 1186 . 1 1 107 107 GLN C C 13 176.594 0.300 . 1 . . . . 107 GLN C . 11257 1 1187 . 1 1 107 107 GLN CA C 13 56.325 0.300 . 1 . . . . 107 GLN CA . 11257 1 1188 . 1 1 107 107 GLN CB C 13 29.372 0.300 . 1 . . . . 107 GLN CB . 11257 1 1189 . 1 1 107 107 GLN CG C 13 33.734 0.300 . 1 . . . . 107 GLN CG . 11257 1 1190 . 1 1 107 107 GLN N N 15 121.688 0.300 . 1 . . . . 107 GLN N . 11257 1 1191 . 1 1 107 107 GLN NE2 N 15 112.452 0.300 . 1 . . . . 107 GLN NE2 . 11257 1 1192 . 1 1 108 108 GLY H H 1 8.374 0.030 . 1 . . . . 108 GLY H . 11257 1 1193 . 1 1 108 108 GLY HA2 H 1 3.925 0.030 . 1 . . . . 108 GLY HA2 . 11257 1 1194 . 1 1 108 108 GLY HA3 H 1 3.925 0.030 . 1 . . . . 108 GLY HA3 . 11257 1 1195 . 1 1 108 108 GLY C C 13 174.139 0.300 . 1 . . . . 108 GLY C . 11257 1 1196 . 1 1 108 108 GLY CA C 13 45.414 0.300 . 1 . . . . 108 GLY CA . 11257 1 1197 . 1 1 108 108 GLY N N 15 109.459 0.300 . 1 . . . . 108 GLY N . 11257 1 1198 . 1 1 109 109 GLN H H 1 8.231 0.030 . 1 . . . . 109 GLN H . 11257 1 1199 . 1 1 109 109 GLN HA H 1 4.230 0.030 . 1 . . . . 109 GLN HA . 11257 1 1200 . 1 1 109 109 GLN C C 13 176.118 0.300 . 1 . . . . 109 GLN C . 11257 1 1201 . 1 1 109 109 GLN CA C 13 55.972 0.300 . 1 . . . . 109 GLN CA . 11257 1 1202 . 1 1 109 109 GLN CB C 13 29.618 0.300 . 1 . . . . 109 GLN CB . 11257 1 1203 . 1 1 109 109 GLN N N 15 119.888 0.300 . 1 . . . . 109 GLN N . 11257 1 1204 . 1 1 110 110 ARG HA H 1 4.360 0.030 . 1 . . . . 110 ARG HA . 11257 1 1205 . 1 1 110 110 ARG HB2 H 1 1.807 0.030 . 2 . . . . 110 ARG HB2 . 11257 1 1206 . 1 1 110 110 ARG HB3 H 1 1.913 0.030 . 2 . . . . 110 ARG HB3 . 11257 1 1207 . 1 1 110 110 ARG HD2 H 1 3.196 0.030 . 1 . . . . 110 ARG HD2 . 11257 1 1208 . 1 1 110 110 ARG HD3 H 1 3.196 0.030 . 1 . . . . 110 ARG HD3 . 11257 1 1209 . 1 1 110 110 ARG HG2 H 1 1.654 0.030 . 1 . . . . 110 ARG HG2 . 11257 1 1210 . 1 1 110 110 ARG HG3 H 1 1.654 0.030 . 1 . . . . 110 ARG HG3 . 11257 1 1211 . 1 1 110 110 ARG C C 13 176.308 0.300 . 1 . . . . 110 ARG C . 11257 1 1212 . 1 1 110 110 ARG CA C 13 56.116 0.300 . 1 . . . . 110 ARG CA . 11257 1 1213 . 1 1 110 110 ARG CB C 13 30.888 0.300 . 1 . . . . 110 ARG CB . 11257 1 1214 . 1 1 110 110 ARG CD C 13 43.461 0.300 . 1 . . . . 110 ARG CD . 11257 1 1215 . 1 1 110 110 ARG CG C 13 27.018 0.300 . 1 . . . . 110 ARG CG . 11257 1 1216 . 1 1 111 111 SER H H 1 8.392 0.030 . 1 . . . . 111 SER H . 11257 1 1217 . 1 1 111 111 SER HA H 1 4.491 0.030 . 1 . . . . 111 SER HA . 11257 1 1218 . 1 1 111 111 SER HB2 H 1 3.846 0.030 . 1 . . . . 111 SER HB2 . 11257 1 1219 . 1 1 111 111 SER HB3 H 1 3.846 0.030 . 1 . . . . 111 SER HB3 . 11257 1 1220 . 1 1 111 111 SER C C 13 174.468 0.300 . 1 . . . . 111 SER C . 11257 1 1221 . 1 1 111 111 SER CA C 13 58.266 0.300 . 1 . . . . 111 SER CA . 11257 1 1222 . 1 1 111 111 SER CB C 13 64.231 0.300 . 1 . . . . 111 SER CB . 11257 1 1223 . 1 1 111 111 SER N N 15 117.247 0.300 . 1 . . . . 111 SER N . 11257 1 1224 . 1 1 112 112 GLY H H 1 8.276 0.030 . 1 . . . . 112 GLY H . 11257 1 1225 . 1 1 112 112 GLY C C 13 171.816 0.300 . 1 . . . . 112 GLY C . 11257 1 1226 . 1 1 112 112 GLY CA C 13 44.635 0.300 . 1 . . . . 112 GLY CA . 11257 1 1227 . 1 1 112 112 GLY N N 15 110.726 0.300 . 1 . . . . 112 GLY N . 11257 1 1228 . 1 1 113 113 PRO HA H 1 4.506 0.030 . 1 . . . . 113 PRO HA . 11257 1 1229 . 1 1 113 113 PRO HB2 H 1 2.266 0.030 . 2 . . . . 113 PRO HB2 . 11257 1 1230 . 1 1 113 113 PRO HB3 H 1 1.963 0.030 . 2 . . . . 113 PRO HB3 . 11257 1 1231 . 1 1 113 113 PRO HD2 H 1 3.648 0.030 . 1 . . . . 113 PRO HD2 . 11257 1 1232 . 1 1 113 113 PRO HD3 H 1 3.648 0.030 . 1 . . . . 113 PRO HD3 . 11257 1 1233 . 1 1 113 113 PRO C C 13 177.425 0.300 . 1 . . . . 113 PRO C . 11257 1 1234 . 1 1 113 113 PRO CA C 13 63.338 0.300 . 1 . . . . 113 PRO CA . 11257 1 1235 . 1 1 113 113 PRO CB C 13 32.264 0.300 . 1 . . . . 113 PRO CB . 11257 1 1236 . 1 1 113 113 PRO CD C 13 49.815 0.300 . 1 . . . . 113 PRO CD . 11257 1 1237 . 1 1 113 113 PRO CG C 13 27.182 0.300 . 1 . . . . 113 PRO CG . 11257 1 1238 . 1 1 114 114 SER H H 1 8.530 0.030 . 1 . . . . 114 SER H . 11257 1 1239 . 1 1 114 114 SER HA H 1 4.399 0.030 . 1 . . . . 114 SER HA . 11257 1 1240 . 1 1 114 114 SER HB2 H 1 3.820 0.030 . 1 . . . . 114 SER HB2 . 11257 1 1241 . 1 1 114 114 SER HB3 H 1 3.820 0.030 . 1 . . . . 114 SER HB3 . 11257 1 1242 . 1 1 114 114 SER C C 13 174.594 0.300 . 1 . . . . 114 SER C . 11257 1 1243 . 1 1 114 114 SER CA C 13 58.464 0.300 . 1 . . . . 114 SER CA . 11257 1 1244 . 1 1 114 114 SER CB C 13 63.913 0.300 . 1 . . . . 114 SER CB . 11257 1 1245 . 1 1 114 114 SER N N 15 116.369 0.300 . 1 . . . . 114 SER N . 11257 1 1246 . 1 1 115 115 SER H H 1 8.340 0.030 . 1 . . . . 115 SER H . 11257 1 1247 . 1 1 115 115 SER HA H 1 4.478 0.030 . 1 . . . . 115 SER HA . 11257 1 1248 . 1 1 115 115 SER HB2 H 1 3.886 0.030 . 1 . . . . 115 SER HB2 . 11257 1 1249 . 1 1 115 115 SER HB3 H 1 3.886 0.030 . 1 . . . . 115 SER HB3 . 11257 1 1250 . 1 1 115 115 SER C C 13 173.972 0.300 . 1 . . . . 115 SER C . 11257 1 1251 . 1 1 115 115 SER CA C 13 58.346 0.300 . 1 . . . . 115 SER CA . 11257 1 1252 . 1 1 115 115 SER CB C 13 64.139 0.300 . 1 . . . . 115 SER CB . 11257 1 1253 . 1 1 115 115 SER N N 15 117.857 0.300 . 1 . . . . 115 SER N . 11257 1 1254 . 1 1 116 116 GLY H H 1 8.062 0.030 . 1 . . . . 116 GLY H . 11257 1 1255 . 1 1 116 116 GLY C C 13 178.976 0.300 . 1 . . . . 116 GLY C . 11257 1 1256 . 1 1 116 116 GLY CA C 13 46.256 0.300 . 1 . . . . 116 GLY CA . 11257 1 1257 . 1 1 116 116 GLY N N 15 116.936 0.300 . 1 . . . . 116 GLY N . 11257 1 stop_ save_