data_11310 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11310 _Entry.Title ; Solution structure of the C-terminal domain of mouse phosphoacetylglucosamine mutase (PAGM) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-10 _Entry.Accession_date 2010-08-10 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _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 M. Yoneyama . . . 11310 2 N. Tochio . . . 11310 3 K. Saito . . . 11310 4 S. Koshiba . . . 11310 5 M. Inoue . . . 11310 6 T. Kigawa . . . 11310 7 S. Yokoyama . . . 11310 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)' . 11310 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11310 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 440 11310 '15N chemical shifts' 103 11310 '1H chemical shifts' 719 11310 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 . . 2011-08-19 2010-08-10 original author . 11310 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WJW 'BMRB Entry Tracking System' 11310 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11310 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the C-terminal domain of mouse phosphoacetylglucosamine mutase (PAGM) ; _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 M. Yoneyama . . . 11310 1 2 N. Tochio . . . 11310 1 3 K. Saito . . . 11310 1 4 S. Koshiba . . . 11310 1 5 M. Inoue . . . 11310 1 6 T. Kigawa . . . 11310 1 7 S. Yokoyama . . . 11310 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11310 _Assembly.ID 1 _Assembly.Name 'phosphoacetylglucosamine mutase' _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 E.C.5.4.2.3 _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 'C-terminal domain' 1 $entity_1 A . yes native no no . . . 11310 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 1wjw . . . . . . 11310 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11310 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C-terminal domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGAIYVDLPNRQLKV KVADRRVISTTDAERQAVTP PGLQEAINDLVKKYTLARAF VRPSGTEDIVRVYAEANSQE SADRLAYEVSLLVFQLAGGI GERPQPSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state '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 1WJW . "Solution Structure Of The C-Terminal Domain Of Mouse Phosphoacetylglucosamine Mutase (Pagm)" . . . . . 100.00 112 100.00 100.00 4.68e-72 . . . . 11310 1 2 no DBJ BAB28834 . "unnamed protein product [Mus musculus]" . . . . . 89.29 542 99.00 100.00 1.04e-59 . . . . 11310 1 3 no DBJ BAC25733 . "unnamed protein product [Mus musculus]" . . . . . 89.29 542 99.00 100.00 1.04e-59 . . . . 11310 1 4 no DBJ BAC29478 . "unnamed protein product [Mus musculus]" . . . . . 89.29 542 99.00 100.00 1.06e-59 . . . . 11310 1 5 no DBJ BAC33692 . "unnamed protein product [Mus musculus]" . . . . . 89.29 542 99.00 100.00 1.04e-59 . . . . 11310 1 6 no DBJ BAC34728 . "unnamed protein product [Mus musculus]" . . . . . 89.29 542 99.00 100.00 1.04e-59 . . . . 11310 1 7 no GB AAI38701 . "Phosphoglucomutase 3 [Mus musculus]" . . . . . 89.29 542 99.00 100.00 1.04e-59 . . . . 11310 1 8 no GB EDL26495 . "phosphoglucomutase 3, isoform CRA_a [Mus musculus]" . . . . . 89.29 542 99.00 100.00 9.27e-60 . . . . 11310 1 9 no REF NP_082628 . "phosphoacetylglucosamine mutase isoform 1 [Mus musculus]" . . . . . 89.29 542 99.00 100.00 1.04e-59 . . . . 11310 1 10 no REF XP_011240958 . "PREDICTED: phosphoacetylglucosamine mutase isoform X1 [Mus musculus]" . . . . . 64.29 533 100.00 100.00 2.14e-39 . . . . 11310 1 11 no SP Q9CYR6 . "RecName: Full=Phosphoacetylglucosamine mutase; Short=PAGM; AltName: Full=Acetylglucosamine phosphomutase; AltName: Full=N-acety" . . . . . 89.29 542 99.00 100.00 1.04e-59 . . . . 11310 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C-terminal domain' . 11310 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 . 11310 1 2 . SER . 11310 1 3 . SER . 11310 1 4 . GLY . 11310 1 5 . SER . 11310 1 6 . SER . 11310 1 7 . GLY . 11310 1 8 . ALA . 11310 1 9 . ILE . 11310 1 10 . TYR . 11310 1 11 . VAL . 11310 1 12 . ASP . 11310 1 13 . LEU . 11310 1 14 . PRO . 11310 1 15 . ASN . 11310 1 16 . ARG . 11310 1 17 . GLN . 11310 1 18 . LEU . 11310 1 19 . LYS . 11310 1 20 . VAL . 11310 1 21 . LYS . 11310 1 22 . VAL . 11310 1 23 . ALA . 11310 1 24 . ASP . 11310 1 25 . ARG . 11310 1 26 . ARG . 11310 1 27 . VAL . 11310 1 28 . ILE . 11310 1 29 . SER . 11310 1 30 . THR . 11310 1 31 . THR . 11310 1 32 . ASP . 11310 1 33 . ALA . 11310 1 34 . GLU . 11310 1 35 . ARG . 11310 1 36 . GLN . 11310 1 37 . ALA . 11310 1 38 . VAL . 11310 1 39 . THR . 11310 1 40 . PRO . 11310 1 41 . PRO . 11310 1 42 . GLY . 11310 1 43 . LEU . 11310 1 44 . GLN . 11310 1 45 . GLU . 11310 1 46 . ALA . 11310 1 47 . ILE . 11310 1 48 . ASN . 11310 1 49 . ASP . 11310 1 50 . LEU . 11310 1 51 . VAL . 11310 1 52 . LYS . 11310 1 53 . LYS . 11310 1 54 . TYR . 11310 1 55 . THR . 11310 1 56 . LEU . 11310 1 57 . ALA . 11310 1 58 . ARG . 11310 1 59 . ALA . 11310 1 60 . PHE . 11310 1 61 . VAL . 11310 1 62 . ARG . 11310 1 63 . PRO . 11310 1 64 . SER . 11310 1 65 . GLY . 11310 1 66 . THR . 11310 1 67 . GLU . 11310 1 68 . ASP . 11310 1 69 . ILE . 11310 1 70 . VAL . 11310 1 71 . ARG . 11310 1 72 . VAL . 11310 1 73 . TYR . 11310 1 74 . ALA . 11310 1 75 . GLU . 11310 1 76 . ALA . 11310 1 77 . ASN . 11310 1 78 . SER . 11310 1 79 . GLN . 11310 1 80 . GLU . 11310 1 81 . SER . 11310 1 82 . ALA . 11310 1 83 . ASP . 11310 1 84 . ARG . 11310 1 85 . LEU . 11310 1 86 . ALA . 11310 1 87 . TYR . 11310 1 88 . GLU . 11310 1 89 . VAL . 11310 1 90 . SER . 11310 1 91 . LEU . 11310 1 92 . LEU . 11310 1 93 . VAL . 11310 1 94 . PHE . 11310 1 95 . GLN . 11310 1 96 . LEU . 11310 1 97 . ALA . 11310 1 98 . GLY . 11310 1 99 . GLY . 11310 1 100 . ILE . 11310 1 101 . GLY . 11310 1 102 . GLU . 11310 1 103 . ARG . 11310 1 104 . PRO . 11310 1 105 . GLN . 11310 1 106 . PRO . 11310 1 107 . SER . 11310 1 108 . GLY . 11310 1 109 . PRO . 11310 1 110 . SER . 11310 1 111 . SER . 11310 1 112 . GLY . 11310 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 11310 1 . SER 2 2 11310 1 . SER 3 3 11310 1 . GLY 4 4 11310 1 . SER 5 5 11310 1 . SER 6 6 11310 1 . GLY 7 7 11310 1 . ALA 8 8 11310 1 . ILE 9 9 11310 1 . TYR 10 10 11310 1 . VAL 11 11 11310 1 . ASP 12 12 11310 1 . LEU 13 13 11310 1 . PRO 14 14 11310 1 . ASN 15 15 11310 1 . ARG 16 16 11310 1 . GLN 17 17 11310 1 . LEU 18 18 11310 1 . LYS 19 19 11310 1 . VAL 20 20 11310 1 . LYS 21 21 11310 1 . VAL 22 22 11310 1 . ALA 23 23 11310 1 . ASP 24 24 11310 1 . ARG 25 25 11310 1 . ARG 26 26 11310 1 . VAL 27 27 11310 1 . ILE 28 28 11310 1 . SER 29 29 11310 1 . THR 30 30 11310 1 . THR 31 31 11310 1 . ASP 32 32 11310 1 . ALA 33 33 11310 1 . GLU 34 34 11310 1 . ARG 35 35 11310 1 . GLN 36 36 11310 1 . ALA 37 37 11310 1 . VAL 38 38 11310 1 . THR 39 39 11310 1 . PRO 40 40 11310 1 . PRO 41 41 11310 1 . GLY 42 42 11310 1 . LEU 43 43 11310 1 . GLN 44 44 11310 1 . GLU 45 45 11310 1 . ALA 46 46 11310 1 . ILE 47 47 11310 1 . ASN 48 48 11310 1 . ASP 49 49 11310 1 . LEU 50 50 11310 1 . VAL 51 51 11310 1 . LYS 52 52 11310 1 . LYS 53 53 11310 1 . TYR 54 54 11310 1 . THR 55 55 11310 1 . LEU 56 56 11310 1 . ALA 57 57 11310 1 . ARG 58 58 11310 1 . ALA 59 59 11310 1 . PHE 60 60 11310 1 . VAL 61 61 11310 1 . ARG 62 62 11310 1 . PRO 63 63 11310 1 . SER 64 64 11310 1 . GLY 65 65 11310 1 . THR 66 66 11310 1 . GLU 67 67 11310 1 . ASP 68 68 11310 1 . ILE 69 69 11310 1 . VAL 70 70 11310 1 . ARG 71 71 11310 1 . VAL 72 72 11310 1 . TYR 73 73 11310 1 . ALA 74 74 11310 1 . GLU 75 75 11310 1 . ALA 76 76 11310 1 . ASN 77 77 11310 1 . SER 78 78 11310 1 . GLN 79 79 11310 1 . GLU 80 80 11310 1 . SER 81 81 11310 1 . ALA 82 82 11310 1 . ASP 83 83 11310 1 . ARG 84 84 11310 1 . LEU 85 85 11310 1 . ALA 86 86 11310 1 . TYR 87 87 11310 1 . GLU 88 88 11310 1 . VAL 89 89 11310 1 . SER 90 90 11310 1 . LEU 91 91 11310 1 . LEU 92 92 11310 1 . VAL 93 93 11310 1 . PHE 94 94 11310 1 . GLN 95 95 11310 1 . LEU 96 96 11310 1 . ALA 97 97 11310 1 . GLY 98 98 11310 1 . GLY 99 99 11310 1 . ILE 100 100 11310 1 . GLY 101 101 11310 1 . GLU 102 102 11310 1 . ARG 103 103 11310 1 . PRO 104 104 11310 1 . GLN 105 105 11310 1 . PRO 106 106 11310 1 . SER 107 107 11310 1 . GLY 108 108 11310 1 . PRO 109 109 11310 1 . SER 110 110 11310 1 . SER 111 111 11310 1 . GLY 112 112 11310 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 11310 _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 . . . . . . . . . . . . . . . . . . . . . 11310 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 11310 _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 . . . . . . . . . . . . . . . . P040113-52 . . . . . . 11310 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11310 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1mM C-terminal domain of Phosphoacetylglucosamine mutase(PAGM) U-15N, {13C;} 20mM Phosphate Buffer {Na;} 300mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C-terminal domain of Phosphoacetylglucosamine mutase(PAGM)' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 11310 1 2 'Phosphate Buffer Na' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11310 1 3 NaCl 'natural abundance' . . . . . salt 300 . . mM . . . . 11310 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11310 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11310 1 6 H2O . . . . . . solvent 90 . . % . . . . 11310 1 7 D2O . . . . . . solvent 10 . . % . . . . 11310 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 11310 _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' 320 0.1 mM 11310 1 pH 6.0 0.05 pH 11310 1 pressure 1 0.001 atm 11310 1 temperature 298 0.1 K 11310 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11310 _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 . . 11310 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11310 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11310 _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 'Delagio, F.' . . 11310 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11310 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11310 _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 'Jhonson, B. A.' . . 11310 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11310 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11310 _Software.ID 4 _Software.Name Kujira _Software.Version 0.896 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11310 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11310 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11310 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11310 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11310 5 'structure solution' 11310 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 11310 _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 11310 _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 . . . 11310 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 11310 _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 . . . . . . . . . . . . . . . . 11310 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11310 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 11310 _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 . . . . . . . . . 11310 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11310 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11310 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 11310 _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 11310 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11310 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 . . 11310 1 2 $NMRPipe . . 11310 1 3 $NMRview . . 11310 1 4 $KUJIRA . . 11310 1 5 $CYANA . . 11310 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 HA H 1 4.538 0.030 . 1 . . . . 3 SER HA . 11310 1 2 . 1 1 3 3 SER HB2 H 1 3.944 0.030 . 1 . . . . 3 SER HB2 . 11310 1 3 . 1 1 3 3 SER HB3 H 1 3.944 0.030 . 1 . . . . 3 SER HB3 . 11310 1 4 . 1 1 3 3 SER C C 13 175.112 0.300 . 1 . . . . 3 SER C . 11310 1 5 . 1 1 3 3 SER CA C 13 58.677 0.300 . 1 . . . . 3 SER CA . 11310 1 6 . 1 1 3 3 SER CB C 13 63.824 0.300 . 1 . . . . 3 SER CB . 11310 1 7 . 1 1 4 4 GLY H H 1 8.486 0.030 . 1 . . . . 4 GLY H . 11310 1 8 . 1 1 4 4 GLY HA2 H 1 4.071 0.030 . 1 . . . . 4 GLY HA2 . 11310 1 9 . 1 1 4 4 GLY HA3 H 1 4.071 0.030 . 1 . . . . 4 GLY HA3 . 11310 1 10 . 1 1 4 4 GLY C C 13 174.396 0.300 . 1 . . . . 4 GLY C . 11310 1 11 . 1 1 4 4 GLY CA C 13 45.442 0.300 . 1 . . . . 4 GLY CA . 11310 1 12 . 1 1 4 4 GLY N N 15 111.003 0.300 . 1 . . . . 4 GLY N . 11310 1 13 . 1 1 5 5 SER H H 1 8.301 0.030 . 1 . . . . 5 SER H . 11310 1 14 . 1 1 5 5 SER C C 13 174.967 0.300 . 1 . . . . 5 SER C . 11310 1 15 . 1 1 5 5 SER CA C 13 58.395 0.300 . 1 . . . . 5 SER CA . 11310 1 16 . 1 1 5 5 SER CB C 13 63.910 0.300 . 1 . . . . 5 SER CB . 11310 1 17 . 1 1 5 5 SER N N 15 115.842 0.300 . 1 . . . . 5 SER N . 11310 1 18 . 1 1 6 6 SER HA H 1 4.504 0.030 . 1 . . . . 6 SER HA . 11310 1 19 . 1 1 6 6 SER HB2 H 1 3.944 0.030 . 1 . . . . 6 SER HB2 . 11310 1 20 . 1 1 6 6 SER HB3 H 1 3.944 0.030 . 1 . . . . 6 SER HB3 . 11310 1 21 . 1 1 6 6 SER C C 13 175.064 0.300 . 1 . . . . 6 SER C . 11310 1 22 . 1 1 6 6 SER CA C 13 58.747 0.300 . 1 . . . . 6 SER CA . 11310 1 23 . 1 1 6 6 SER CB C 13 63.873 0.300 . 1 . . . . 6 SER CB . 11310 1 24 . 1 1 7 7 GLY H H 1 8.399 0.030 . 1 . . . . 7 GLY H . 11310 1 25 . 1 1 7 7 GLY HA2 H 1 3.995 0.030 . 1 . . . . 7 GLY HA2 . 11310 1 26 . 1 1 7 7 GLY HA3 H 1 3.995 0.030 . 1 . . . . 7 GLY HA3 . 11310 1 27 . 1 1 7 7 GLY C C 13 173.777 0.300 . 1 . . . . 7 GLY C . 11310 1 28 . 1 1 7 7 GLY CA C 13 45.335 0.300 . 1 . . . . 7 GLY CA . 11310 1 29 . 1 1 7 7 GLY N N 15 110.817 0.300 . 1 . . . . 7 GLY N . 11310 1 30 . 1 1 8 8 ALA H H 1 8.065 0.030 . 1 . . . . 8 ALA H . 11310 1 31 . 1 1 8 8 ALA HA H 1 4.317 0.030 . 1 . . . . 8 ALA HA . 11310 1 32 . 1 1 8 8 ALA HB1 H 1 1.330 0.030 . 1 . . . . 8 ALA HB . 11310 1 33 . 1 1 8 8 ALA HB2 H 1 1.330 0.030 . 1 . . . . 8 ALA HB . 11310 1 34 . 1 1 8 8 ALA HB3 H 1 1.330 0.030 . 1 . . . . 8 ALA HB . 11310 1 35 . 1 1 8 8 ALA C C 13 177.394 0.300 . 1 . . . . 8 ALA C . 11310 1 36 . 1 1 8 8 ALA CA C 13 52.413 0.300 . 1 . . . . 8 ALA CA . 11310 1 37 . 1 1 8 8 ALA CB C 13 19.395 0.300 . 1 . . . . 8 ALA CB . 11310 1 38 . 1 1 8 8 ALA N N 15 123.895 0.300 . 1 . . . . 8 ALA N . 11310 1 39 . 1 1 9 9 ILE H H 1 7.965 0.030 . 1 . . . . 9 ILE H . 11310 1 40 . 1 1 9 9 ILE HA H 1 4.124 0.030 . 1 . . . . 9 ILE HA . 11310 1 41 . 1 1 9 9 ILE HB H 1 1.764 0.030 . 1 . . . . 9 ILE HB . 11310 1 42 . 1 1 9 9 ILE HD11 H 1 0.824 0.030 . 1 . . . . 9 ILE HD1 . 11310 1 43 . 1 1 9 9 ILE HD12 H 1 0.824 0.030 . 1 . . . . 9 ILE HD1 . 11310 1 44 . 1 1 9 9 ILE HD13 H 1 0.824 0.030 . 1 . . . . 9 ILE HD1 . 11310 1 45 . 1 1 9 9 ILE HG12 H 1 1.341 0.030 . 2 . . . . 9 ILE HG12 . 11310 1 46 . 1 1 9 9 ILE HG13 H 1 1.102 0.030 . 2 . . . . 9 ILE HG13 . 11310 1 47 . 1 1 9 9 ILE HG21 H 1 0.794 0.030 . 1 . . . . 9 ILE HG2 . 11310 1 48 . 1 1 9 9 ILE HG22 H 1 0.794 0.030 . 1 . . . . 9 ILE HG2 . 11310 1 49 . 1 1 9 9 ILE HG23 H 1 0.794 0.030 . 1 . . . . 9 ILE HG2 . 11310 1 50 . 1 1 9 9 ILE C C 13 175.768 0.300 . 1 . . . . 9 ILE C . 11310 1 51 . 1 1 9 9 ILE CA C 13 61.088 0.300 . 1 . . . . 9 ILE CA . 11310 1 52 . 1 1 9 9 ILE CB C 13 38.963 0.300 . 1 . . . . 9 ILE CB . 11310 1 53 . 1 1 9 9 ILE CD1 C 13 13.064 0.300 . 1 . . . . 9 ILE CD1 . 11310 1 54 . 1 1 9 9 ILE CG1 C 13 27.014 0.300 . 1 . . . . 9 ILE CG1 . 11310 1 55 . 1 1 9 9 ILE CG2 C 13 17.461 0.300 . 1 . . . . 9 ILE CG2 . 11310 1 56 . 1 1 9 9 ILE N N 15 119.288 0.300 . 1 . . . . 9 ILE N . 11310 1 57 . 1 1 10 10 TYR H H 1 8.226 0.030 . 1 . . . . 10 TYR H . 11310 1 58 . 1 1 10 10 TYR HA H 1 4.662 0.030 . 1 . . . . 10 TYR HA . 11310 1 59 . 1 1 10 10 TYR HB2 H 1 3.091 0.030 . 2 . . . . 10 TYR HB2 . 11310 1 60 . 1 1 10 10 TYR HB3 H 1 2.906 0.030 . 2 . . . . 10 TYR HB3 . 11310 1 61 . 1 1 10 10 TYR HD1 H 1 7.121 0.030 . 1 . . . . 10 TYR HD1 . 11310 1 62 . 1 1 10 10 TYR HD2 H 1 7.121 0.030 . 1 . . . . 10 TYR HD2 . 11310 1 63 . 1 1 10 10 TYR HE1 H 1 6.818 0.030 . 1 . . . . 10 TYR HE1 . 11310 1 64 . 1 1 10 10 TYR HE2 H 1 6.818 0.030 . 1 . . . . 10 TYR HE2 . 11310 1 65 . 1 1 10 10 TYR C C 13 175.331 0.300 . 1 . . . . 10 TYR C . 11310 1 66 . 1 1 10 10 TYR CA C 13 57.568 0.300 . 1 . . . . 10 TYR CA . 11310 1 67 . 1 1 10 10 TYR CB C 13 38.972 0.300 . 1 . . . . 10 TYR CB . 11310 1 68 . 1 1 10 10 TYR CD1 C 13 133.300 0.300 . 1 . . . . 10 TYR CD1 . 11310 1 69 . 1 1 10 10 TYR CD2 C 13 133.300 0.300 . 1 . . . . 10 TYR CD2 . 11310 1 70 . 1 1 10 10 TYR CE1 C 13 118.225 0.300 . 1 . . . . 10 TYR CE1 . 11310 1 71 . 1 1 10 10 TYR CE2 C 13 118.225 0.300 . 1 . . . . 10 TYR CE2 . 11310 1 72 . 1 1 10 10 TYR N N 15 124.153 0.300 . 1 . . . . 10 TYR N . 11310 1 73 . 1 1 11 11 VAL H H 1 7.916 0.030 . 1 . . . . 11 VAL H . 11310 1 74 . 1 1 11 11 VAL HA H 1 4.144 0.030 . 1 . . . . 11 VAL HA . 11310 1 75 . 1 1 11 11 VAL HB H 1 2.032 0.030 . 1 . . . . 11 VAL HB . 11310 1 76 . 1 1 11 11 VAL HG11 H 1 0.922 0.030 . 1 . . . . 11 VAL HG1 . 11310 1 77 . 1 1 11 11 VAL HG12 H 1 0.922 0.030 . 1 . . . . 11 VAL HG1 . 11310 1 78 . 1 1 11 11 VAL HG13 H 1 0.922 0.030 . 1 . . . . 11 VAL HG1 . 11310 1 79 . 1 1 11 11 VAL HG21 H 1 0.912 0.030 . 1 . . . . 11 VAL HG2 . 11310 1 80 . 1 1 11 11 VAL HG22 H 1 0.912 0.030 . 1 . . . . 11 VAL HG2 . 11310 1 81 . 1 1 11 11 VAL HG23 H 1 0.912 0.030 . 1 . . . . 11 VAL HG2 . 11310 1 82 . 1 1 11 11 VAL C C 13 174.979 0.300 . 1 . . . . 11 VAL C . 11310 1 83 . 1 1 11 11 VAL CA C 13 61.845 0.300 . 1 . . . . 11 VAL CA . 11310 1 84 . 1 1 11 11 VAL CB C 13 33.430 0.300 . 1 . . . . 11 VAL CB . 11310 1 85 . 1 1 11 11 VAL CG1 C 13 21.158 0.300 . 2 . . . . 11 VAL CG1 . 11310 1 86 . 1 1 11 11 VAL CG2 C 13 20.431 0.300 . 2 . . . . 11 VAL CG2 . 11310 1 87 . 1 1 11 11 VAL N N 15 121.757 0.300 . 1 . . . . 11 VAL N . 11310 1 88 . 1 1 12 12 ASP H H 1 8.345 0.030 . 1 . . . . 12 ASP H . 11310 1 89 . 1 1 12 12 ASP HA H 1 4.602 0.030 . 1 . . . . 12 ASP HA . 11310 1 90 . 1 1 12 12 ASP HB2 H 1 2.778 0.030 . 2 . . . . 12 ASP HB2 . 11310 1 91 . 1 1 12 12 ASP HB3 H 1 2.574 0.030 . 2 . . . . 12 ASP HB3 . 11310 1 92 . 1 1 12 12 ASP C C 13 175.622 0.300 . 1 . . . . 12 ASP C . 11310 1 93 . 1 1 12 12 ASP CA C 13 54.242 0.300 . 1 . . . . 12 ASP CA . 11310 1 94 . 1 1 12 12 ASP CB C 13 41.009 0.300 . 1 . . . . 12 ASP CB . 11310 1 95 . 1 1 12 12 ASP N N 15 123.433 0.300 . 1 . . . . 12 ASP N . 11310 1 96 . 1 1 13 13 LEU H H 1 8.062 0.030 . 1 . . . . 13 LEU H . 11310 1 97 . 1 1 13 13 LEU HA H 1 4.598 0.030 . 1 . . . . 13 LEU HA . 11310 1 98 . 1 1 13 13 LEU HB2 H 1 1.764 0.030 . 2 . . . . 13 LEU HB2 . 11310 1 99 . 1 1 13 13 LEU HB3 H 1 1.447 0.030 . 2 . . . . 13 LEU HB3 . 11310 1 100 . 1 1 13 13 LEU HD11 H 1 0.881 0.030 . 1 . . . . 13 LEU HD1 . 11310 1 101 . 1 1 13 13 LEU HD12 H 1 0.881 0.030 . 1 . . . . 13 LEU HD1 . 11310 1 102 . 1 1 13 13 LEU HD13 H 1 0.881 0.030 . 1 . . . . 13 LEU HD1 . 11310 1 103 . 1 1 13 13 LEU HD21 H 1 0.881 0.030 . 1 . . . . 13 LEU HD2 . 11310 1 104 . 1 1 13 13 LEU HD22 H 1 0.881 0.030 . 1 . . . . 13 LEU HD2 . 11310 1 105 . 1 1 13 13 LEU HD23 H 1 0.881 0.030 . 1 . . . . 13 LEU HD2 . 11310 1 106 . 1 1 13 13 LEU HG H 1 1.652 0.030 . 1 . . . . 13 LEU HG . 11310 1 107 . 1 1 13 13 LEU CA C 13 53.311 0.300 . 1 . . . . 13 LEU CA . 11310 1 108 . 1 1 13 13 LEU CB C 13 41.898 0.300 . 1 . . . . 13 LEU CB . 11310 1 109 . 1 1 13 13 LEU CD1 C 13 23.424 0.300 . 1 . . . . 13 LEU CD1 . 11310 1 110 . 1 1 13 13 LEU CD2 C 13 23.424 0.300 . 1 . . . . 13 LEU CD2 . 11310 1 111 . 1 1 13 13 LEU CG C 13 27.207 0.300 . 1 . . . . 13 LEU CG . 11310 1 112 . 1 1 13 13 LEU N N 15 123.532 0.300 . 1 . . . . 13 LEU N . 11310 1 113 . 1 1 14 14 PRO HA H 1 4.346 0.030 . 1 . . . . 14 PRO HA . 11310 1 114 . 1 1 14 14 PRO HB2 H 1 1.497 0.030 . 2 . . . . 14 PRO HB2 . 11310 1 115 . 1 1 14 14 PRO HB3 H 1 1.997 0.030 . 2 . . . . 14 PRO HB3 . 11310 1 116 . 1 1 14 14 PRO HD2 H 1 4.166 0.030 . 2 . . . . 14 PRO HD2 . 11310 1 117 . 1 1 14 14 PRO HD3 H 1 3.786 0.030 . 2 . . . . 14 PRO HD3 . 11310 1 118 . 1 1 14 14 PRO HG2 H 1 1.923 0.030 . 2 . . . . 14 PRO HG2 . 11310 1 119 . 1 1 14 14 PRO HG3 H 1 1.745 0.030 . 2 . . . . 14 PRO HG3 . 11310 1 120 . 1 1 14 14 PRO C C 13 173.923 0.300 . 1 . . . . 14 PRO C . 11310 1 121 . 1 1 14 14 PRO CA C 13 63.581 0.300 . 1 . . . . 14 PRO CA . 11310 1 122 . 1 1 14 14 PRO CB C 13 31.900 0.300 . 1 . . . . 14 PRO CB . 11310 1 123 . 1 1 14 14 PRO CD C 13 50.334 0.300 . 1 . . . . 14 PRO CD . 11310 1 124 . 1 1 14 14 PRO CG C 13 27.939 0.300 . 1 . . . . 14 PRO CG . 11310 1 125 . 1 1 15 15 ASN H H 1 8.299 0.030 . 1 . . . . 15 ASN H . 11310 1 126 . 1 1 15 15 ASN HA H 1 5.446 0.030 . 1 . . . . 15 ASN HA . 11310 1 127 . 1 1 15 15 ASN HB2 H 1 2.799 0.030 . 2 . . . . 15 ASN HB2 . 11310 1 128 . 1 1 15 15 ASN HB3 H 1 2.470 0.030 . 2 . . . . 15 ASN HB3 . 11310 1 129 . 1 1 15 15 ASN HD21 H 1 7.722 0.030 . 2 . . . . 15 ASN HD21 . 11310 1 130 . 1 1 15 15 ASN HD22 H 1 6.962 0.030 . 2 . . . . 15 ASN HD22 . 11310 1 131 . 1 1 15 15 ASN C C 13 173.935 0.300 . 1 . . . . 15 ASN C . 11310 1 132 . 1 1 15 15 ASN CA C 13 52.148 0.300 . 1 . . . . 15 ASN CA . 11310 1 133 . 1 1 15 15 ASN CB C 13 43.421 0.300 . 1 . . . . 15 ASN CB . 11310 1 134 . 1 1 15 15 ASN N N 15 114.601 0.300 . 1 . . . . 15 ASN N . 11310 1 135 . 1 1 15 15 ASN ND2 N 15 116.213 0.300 . 1 . . . . 15 ASN ND2 . 11310 1 136 . 1 1 16 16 ARG H H 1 8.802 0.030 . 1 . . . . 16 ARG H . 11310 1 137 . 1 1 16 16 ARG HA H 1 4.443 0.030 . 1 . . . . 16 ARG HA . 11310 1 138 . 1 1 16 16 ARG HB2 H 1 1.854 0.030 . 2 . . . . 16 ARG HB2 . 11310 1 139 . 1 1 16 16 ARG HB3 H 1 1.417 0.030 . 2 . . . . 16 ARG HB3 . 11310 1 140 . 1 1 16 16 ARG HD2 H 1 3.428 0.030 . 2 . . . . 16 ARG HD2 . 11310 1 141 . 1 1 16 16 ARG HD3 H 1 3.228 0.030 . 2 . . . . 16 ARG HD3 . 11310 1 142 . 1 1 16 16 ARG HG2 H 1 1.694 0.030 . 2 . . . . 16 ARG HG2 . 11310 1 143 . 1 1 16 16 ARG HG3 H 1 1.296 0.030 . 2 . . . . 16 ARG HG3 . 11310 1 144 . 1 1 16 16 ARG C C 13 172.685 0.300 . 1 . . . . 16 ARG C . 11310 1 145 . 1 1 16 16 ARG CA C 13 54.173 0.300 . 1 . . . . 16 ARG CA . 11310 1 146 . 1 1 16 16 ARG CB C 13 31.973 0.300 . 1 . . . . 16 ARG CB . 11310 1 147 . 1 1 16 16 ARG CD C 13 41.132 0.300 . 1 . . . . 16 ARG CD . 11310 1 148 . 1 1 16 16 ARG CG C 13 26.498 0.300 . 1 . . . . 16 ARG CG . 11310 1 149 . 1 1 16 16 ARG N N 15 120.474 0.300 . 1 . . . . 16 ARG N . 11310 1 150 . 1 1 17 17 GLN H H 1 8.397 0.030 . 1 . . . . 17 GLN H . 11310 1 151 . 1 1 17 17 GLN HA H 1 5.775 0.030 . 1 . . . . 17 GLN HA . 11310 1 152 . 1 1 17 17 GLN HB2 H 1 2.154 0.030 . 2 . . . . 17 GLN HB2 . 11310 1 153 . 1 1 17 17 GLN HB3 H 1 2.045 0.030 . 2 . . . . 17 GLN HB3 . 11310 1 154 . 1 1 17 17 GLN HE21 H 1 7.625 0.030 . 2 . . . . 17 GLN HE21 . 11310 1 155 . 1 1 17 17 GLN HE22 H 1 7.061 0.030 . 2 . . . . 17 GLN HE22 . 11310 1 156 . 1 1 17 17 GLN HG2 H 1 2.325 0.030 . 1 . . . . 17 GLN HG2 . 11310 1 157 . 1 1 17 17 GLN HG3 H 1 2.325 0.030 . 1 . . . . 17 GLN HG3 . 11310 1 158 . 1 1 17 17 GLN C C 13 175.113 0.300 . 1 . . . . 17 GLN C . 11310 1 159 . 1 1 17 17 GLN CA C 13 53.784 0.300 . 1 . . . . 17 GLN CA . 11310 1 160 . 1 1 17 17 GLN CB C 13 32.248 0.300 . 1 . . . . 17 GLN CB . 11310 1 161 . 1 1 17 17 GLN CG C 13 35.273 0.300 . 1 . . . . 17 GLN CG . 11310 1 162 . 1 1 17 17 GLN N N 15 124.379 0.300 . 1 . . . . 17 GLN N . 11310 1 163 . 1 1 17 17 GLN NE2 N 15 112.559 0.300 . 1 . . . . 17 GLN NE2 . 11310 1 164 . 1 1 18 18 LEU H H 1 8.937 0.030 . 1 . . . . 18 LEU H . 11310 1 165 . 1 1 18 18 LEU HA H 1 4.897 0.030 . 1 . . . . 18 LEU HA . 11310 1 166 . 1 1 18 18 LEU HB2 H 1 1.615 0.030 . 2 . . . . 18 LEU HB2 . 11310 1 167 . 1 1 18 18 LEU HB3 H 1 1.414 0.030 . 2 . . . . 18 LEU HB3 . 11310 1 168 . 1 1 18 18 LEU HD11 H 1 0.787 0.030 . 1 . . . . 18 LEU HD1 . 11310 1 169 . 1 1 18 18 LEU HD12 H 1 0.787 0.030 . 1 . . . . 18 LEU HD1 . 11310 1 170 . 1 1 18 18 LEU HD13 H 1 0.787 0.030 . 1 . . . . 18 LEU HD1 . 11310 1 171 . 1 1 18 18 LEU HD21 H 1 0.980 0.030 . 1 . . . . 18 LEU HD2 . 11310 1 172 . 1 1 18 18 LEU HD22 H 1 0.980 0.030 . 1 . . . . 18 LEU HD2 . 11310 1 173 . 1 1 18 18 LEU HD23 H 1 0.980 0.030 . 1 . . . . 18 LEU HD2 . 11310 1 174 . 1 1 18 18 LEU HG H 1 1.345 0.030 . 1 . . . . 18 LEU HG . 11310 1 175 . 1 1 18 18 LEU C C 13 175.646 0.300 . 1 . . . . 18 LEU C . 11310 1 176 . 1 1 18 18 LEU CA C 13 53.415 0.300 . 1 . . . . 18 LEU CA . 11310 1 177 . 1 1 18 18 LEU CB C 13 46.732 0.300 . 1 . . . . 18 LEU CB . 11310 1 178 . 1 1 18 18 LEU CD1 C 13 25.441 0.300 . 2 . . . . 18 LEU CD1 . 11310 1 179 . 1 1 18 18 LEU CD2 C 13 23.484 0.300 . 2 . . . . 18 LEU CD2 . 11310 1 180 . 1 1 18 18 LEU CG C 13 27.170 0.300 . 1 . . . . 18 LEU CG . 11310 1 181 . 1 1 18 18 LEU N N 15 123.340 0.300 . 1 . . . . 18 LEU N . 11310 1 182 . 1 1 19 19 LYS H H 1 8.628 0.030 . 1 . . . . 19 LYS H . 11310 1 183 . 1 1 19 19 LYS HA H 1 5.056 0.030 . 1 . . . . 19 LYS HA . 11310 1 184 . 1 1 19 19 LYS HB2 H 1 1.772 0.030 . 2 . . . . 19 LYS HB2 . 11310 1 185 . 1 1 19 19 LYS HB3 H 1 1.637 0.030 . 2 . . . . 19 LYS HB3 . 11310 1 186 . 1 1 19 19 LYS HD2 H 1 1.695 0.030 . 1 . . . . 19 LYS HD2 . 11310 1 187 . 1 1 19 19 LYS HD3 H 1 1.695 0.030 . 1 . . . . 19 LYS HD3 . 11310 1 188 . 1 1 19 19 LYS HE2 H 1 2.956 0.030 . 1 . . . . 19 LYS HE2 . 11310 1 189 . 1 1 19 19 LYS HE3 H 1 2.956 0.030 . 1 . . . . 19 LYS HE3 . 11310 1 190 . 1 1 19 19 LYS HG2 H 1 1.502 0.030 . 2 . . . . 19 LYS HG2 . 11310 1 191 . 1 1 19 19 LYS HG3 H 1 1.255 0.030 . 2 . . . . 19 LYS HG3 . 11310 1 192 . 1 1 19 19 LYS C C 13 175.477 0.300 . 1 . . . . 19 LYS C . 11310 1 193 . 1 1 19 19 LYS CA C 13 55.650 0.300 . 1 . . . . 19 LYS CA . 11310 1 194 . 1 1 19 19 LYS CB C 13 35.434 0.300 . 1 . . . . 19 LYS CB . 11310 1 195 . 1 1 19 19 LYS CD C 13 29.681 0.300 . 1 . . . . 19 LYS CD . 11310 1 196 . 1 1 19 19 LYS CE C 13 42.081 0.300 . 1 . . . . 19 LYS CE . 11310 1 197 . 1 1 19 19 LYS CG C 13 25.349 0.300 . 1 . . . . 19 LYS CG . 11310 1 198 . 1 1 19 19 LYS N N 15 120.032 0.300 . 1 . . . . 19 LYS N . 11310 1 199 . 1 1 20 20 VAL H H 1 8.970 0.030 . 1 . . . . 20 VAL H . 11310 1 200 . 1 1 20 20 VAL HA H 1 4.382 0.030 . 1 . . . . 20 VAL HA . 11310 1 201 . 1 1 20 20 VAL HB H 1 1.918 0.030 . 1 . . . . 20 VAL HB . 11310 1 202 . 1 1 20 20 VAL HG11 H 1 1.002 0.030 . 1 . . . . 20 VAL HG1 . 11310 1 203 . 1 1 20 20 VAL HG12 H 1 1.002 0.030 . 1 . . . . 20 VAL HG1 . 11310 1 204 . 1 1 20 20 VAL HG13 H 1 1.002 0.030 . 1 . . . . 20 VAL HG1 . 11310 1 205 . 1 1 20 20 VAL HG21 H 1 0.964 0.030 . 1 . . . . 20 VAL HG2 . 11310 1 206 . 1 1 20 20 VAL HG22 H 1 0.964 0.030 . 1 . . . . 20 VAL HG2 . 11310 1 207 . 1 1 20 20 VAL HG23 H 1 0.964 0.030 . 1 . . . . 20 VAL HG2 . 11310 1 208 . 1 1 20 20 VAL C C 13 175.039 0.300 . 1 . . . . 20 VAL C . 11310 1 209 . 1 1 20 20 VAL CA C 13 61.176 0.300 . 1 . . . . 20 VAL CA . 11310 1 210 . 1 1 20 20 VAL CB C 13 35.285 0.300 . 1 . . . . 20 VAL CB . 11310 1 211 . 1 1 20 20 VAL CG1 C 13 21.347 0.300 . 2 . . . . 20 VAL CG1 . 11310 1 212 . 1 1 20 20 VAL CG2 C 13 21.567 0.300 . 2 . . . . 20 VAL CG2 . 11310 1 213 . 1 1 20 20 VAL N N 15 123.243 0.300 . 1 . . . . 20 VAL N . 11310 1 214 . 1 1 21 21 LYS H H 1 9.079 0.030 . 1 . . . . 21 LYS H . 11310 1 215 . 1 1 21 21 LYS HA H 1 4.661 0.030 . 1 . . . . 21 LYS HA . 11310 1 216 . 1 1 21 21 LYS HB2 H 1 1.924 0.030 . 2 . . . . 21 LYS HB2 . 11310 1 217 . 1 1 21 21 LYS HB3 H 1 1.865 0.030 . 2 . . . . 21 LYS HB3 . 11310 1 218 . 1 1 21 21 LYS HD2 H 1 1.757 0.030 . 1 . . . . 21 LYS HD2 . 11310 1 219 . 1 1 21 21 LYS HD3 H 1 1.757 0.030 . 1 . . . . 21 LYS HD3 . 11310 1 220 . 1 1 21 21 LYS HE2 H 1 3.048 0.030 . 1 . . . . 21 LYS HE2 . 11310 1 221 . 1 1 21 21 LYS HE3 H 1 3.048 0.030 . 1 . . . . 21 LYS HE3 . 11310 1 222 . 1 1 21 21 LYS HG2 H 1 1.662 0.030 . 2 . . . . 21 LYS HG2 . 11310 1 223 . 1 1 21 21 LYS HG3 H 1 1.420 0.030 . 2 . . . . 21 LYS HG3 . 11310 1 224 . 1 1 21 21 LYS C C 13 175.938 0.300 . 1 . . . . 21 LYS C . 11310 1 225 . 1 1 21 21 LYS CA C 13 57.393 0.300 . 1 . . . . 21 LYS CA . 11310 1 226 . 1 1 21 21 LYS CB C 13 33.041 0.300 . 1 . . . . 21 LYS CB . 11310 1 227 . 1 1 21 21 LYS CD C 13 29.635 0.300 . 1 . . . . 21 LYS CD . 11310 1 228 . 1 1 21 21 LYS CE C 13 42.068 0.300 . 1 . . . . 21 LYS CE . 11310 1 229 . 1 1 21 21 LYS CG C 13 25.372 0.300 . 1 . . . . 21 LYS CG . 11310 1 230 . 1 1 21 21 LYS N N 15 129.086 0.300 . 1 . . . . 21 LYS N . 11310 1 231 . 1 1 22 22 VAL H H 1 7.800 0.030 . 1 . . . . 22 VAL H . 11310 1 232 . 1 1 22 22 VAL HA H 1 4.931 0.030 . 1 . . . . 22 VAL HA . 11310 1 233 . 1 1 22 22 VAL HB H 1 2.281 0.030 . 1 . . . . 22 VAL HB . 11310 1 234 . 1 1 22 22 VAL HG11 H 1 0.539 0.030 . 1 . . . . 22 VAL HG1 . 11310 1 235 . 1 1 22 22 VAL HG12 H 1 0.539 0.030 . 1 . . . . 22 VAL HG1 . 11310 1 236 . 1 1 22 22 VAL HG13 H 1 0.539 0.030 . 1 . . . . 22 VAL HG1 . 11310 1 237 . 1 1 22 22 VAL HG21 H 1 0.412 0.030 . 1 . . . . 22 VAL HG2 . 11310 1 238 . 1 1 22 22 VAL HG22 H 1 0.412 0.030 . 1 . . . . 22 VAL HG2 . 11310 1 239 . 1 1 22 22 VAL HG23 H 1 0.412 0.030 . 1 . . . . 22 VAL HG2 . 11310 1 240 . 1 1 22 22 VAL C C 13 174.955 0.300 . 1 . . . . 22 VAL C . 11310 1 241 . 1 1 22 22 VAL CA C 13 58.316 0.300 . 1 . . . . 22 VAL CA . 11310 1 242 . 1 1 22 22 VAL CB C 13 35.265 0.300 . 1 . . . . 22 VAL CB . 11310 1 243 . 1 1 22 22 VAL CG1 C 13 21.590 0.300 . 2 . . . . 22 VAL CG1 . 11310 1 244 . 1 1 22 22 VAL CG2 C 13 16.818 0.300 . 2 . . . . 22 VAL CG2 . 11310 1 245 . 1 1 22 22 VAL N N 15 113.765 0.300 . 1 . . . . 22 VAL N . 11310 1 246 . 1 1 23 23 ALA H H 1 8.359 0.030 . 1 . . . . 23 ALA H . 11310 1 247 . 1 1 23 23 ALA HA H 1 4.079 0.030 . 1 . . . . 23 ALA HA . 11310 1 248 . 1 1 23 23 ALA HB1 H 1 1.414 0.030 . 1 . . . . 23 ALA HB . 11310 1 249 . 1 1 23 23 ALA HB2 H 1 1.414 0.030 . 1 . . . . 23 ALA HB . 11310 1 250 . 1 1 23 23 ALA HB3 H 1 1.414 0.030 . 1 . . . . 23 ALA HB . 11310 1 251 . 1 1 23 23 ALA C C 13 178.584 0.300 . 1 . . . . 23 ALA C . 11310 1 252 . 1 1 23 23 ALA CA C 13 54.229 0.300 . 1 . . . . 23 ALA CA . 11310 1 253 . 1 1 23 23 ALA CB C 13 18.730 0.300 . 1 . . . . 23 ALA CB . 11310 1 254 . 1 1 23 23 ALA N N 15 122.242 0.300 . 1 . . . . 23 ALA N . 11310 1 255 . 1 1 24 24 ASP H H 1 7.935 0.030 . 1 . . . . 24 ASP H . 11310 1 256 . 1 1 24 24 ASP HA H 1 4.628 0.030 . 1 . . . . 24 ASP HA . 11310 1 257 . 1 1 24 24 ASP HB2 H 1 2.663 0.030 . 2 . . . . 24 ASP HB2 . 11310 1 258 . 1 1 24 24 ASP HB3 H 1 2.580 0.030 . 2 . . . . 24 ASP HB3 . 11310 1 259 . 1 1 24 24 ASP C C 13 177.358 0.300 . 1 . . . . 24 ASP C . 11310 1 260 . 1 1 24 24 ASP CA C 13 53.116 0.300 . 1 . . . . 24 ASP CA . 11310 1 261 . 1 1 24 24 ASP CB C 13 42.143 0.300 . 1 . . . . 24 ASP CB . 11310 1 262 . 1 1 24 24 ASP N N 15 112.232 0.300 . 1 . . . . 24 ASP N . 11310 1 263 . 1 1 25 25 ARG H H 1 9.320 0.030 . 1 . . . . 25 ARG H . 11310 1 264 . 1 1 25 25 ARG HA H 1 3.972 0.030 . 1 . . . . 25 ARG HA . 11310 1 265 . 1 1 25 25 ARG HB2 H 1 2.267 0.030 . 2 . . . . 25 ARG HB2 . 11310 1 266 . 1 1 25 25 ARG HB3 H 1 2.059 0.030 . 2 . . . . 25 ARG HB3 . 11310 1 267 . 1 1 25 25 ARG HD2 H 1 3.267 0.030 . 2 . . . . 25 ARG HD2 . 11310 1 268 . 1 1 25 25 ARG HD3 H 1 3.013 0.030 . 2 . . . . 25 ARG HD3 . 11310 1 269 . 1 1 25 25 ARG HG2 H 1 1.759 0.030 . 2 . . . . 25 ARG HG2 . 11310 1 270 . 1 1 25 25 ARG HG3 H 1 1.627 0.030 . 2 . . . . 25 ARG HG3 . 11310 1 271 . 1 1 25 25 ARG C C 13 175.817 0.300 . 1 . . . . 25 ARG C . 11310 1 272 . 1 1 25 25 ARG CA C 13 58.466 0.300 . 1 . . . . 25 ARG CA . 11310 1 273 . 1 1 25 25 ARG CB C 13 29.498 0.300 . 1 . . . . 25 ARG CB . 11310 1 274 . 1 1 25 25 ARG CD C 13 43.221 0.300 . 1 . . . . 25 ARG CD . 11310 1 275 . 1 1 25 25 ARG CG C 13 26.495 0.300 . 1 . . . . 25 ARG CG . 11310 1 276 . 1 1 25 25 ARG N N 15 127.236 0.300 . 1 . . . . 25 ARG N . 11310 1 277 . 1 1 26 26 ARG H H 1 8.341 0.030 . 1 . . . . 26 ARG H . 11310 1 278 . 1 1 26 26 ARG HA H 1 4.197 0.030 . 1 . . . . 26 ARG HA . 11310 1 279 . 1 1 26 26 ARG HB2 H 1 1.887 0.030 . 1 . . . . 26 ARG HB2 . 11310 1 280 . 1 1 26 26 ARG HB3 H 1 1.887 0.030 . 1 . . . . 26 ARG HB3 . 11310 1 281 . 1 1 26 26 ARG HD2 H 1 3.259 0.030 . 1 . . . . 26 ARG HD2 . 11310 1 282 . 1 1 26 26 ARG HD3 H 1 3.259 0.030 . 1 . . . . 26 ARG HD3 . 11310 1 283 . 1 1 26 26 ARG HG2 H 1 1.515 0.030 . 2 . . . . 26 ARG HG2 . 11310 1 284 . 1 1 26 26 ARG HG3 H 1 1.266 0.030 . 2 . . . . 26 ARG HG3 . 11310 1 285 . 1 1 26 26 ARG C C 13 177.224 0.300 . 1 . . . . 26 ARG C . 11310 1 286 . 1 1 26 26 ARG CA C 13 57.304 0.300 . 1 . . . . 26 ARG CA . 11310 1 287 . 1 1 26 26 ARG CB C 13 29.751 0.300 . 1 . . . . 26 ARG CB . 11310 1 288 . 1 1 26 26 ARG CD C 13 43.468 0.300 . 1 . . . . 26 ARG CD . 11310 1 289 . 1 1 26 26 ARG CG C 13 27.457 0.300 . 1 . . . . 26 ARG CG . 11310 1 290 . 1 1 26 26 ARG N N 15 117.665 0.300 . 1 . . . . 26 ARG N . 11310 1 291 . 1 1 27 27 VAL H H 1 7.116 0.030 . 1 . . . . 27 VAL H . 11310 1 292 . 1 1 27 27 VAL HA H 1 3.878 0.030 . 1 . . . . 27 VAL HA . 11310 1 293 . 1 1 27 27 VAL HB H 1 2.245 0.030 . 1 . . . . 27 VAL HB . 11310 1 294 . 1 1 27 27 VAL HG11 H 1 1.041 0.030 . 1 . . . . 27 VAL HG1 . 11310 1 295 . 1 1 27 27 VAL HG12 H 1 1.041 0.030 . 1 . . . . 27 VAL HG1 . 11310 1 296 . 1 1 27 27 VAL HG13 H 1 1.041 0.030 . 1 . . . . 27 VAL HG1 . 11310 1 297 . 1 1 27 27 VAL HG21 H 1 1.008 0.030 . 1 . . . . 27 VAL HG2 . 11310 1 298 . 1 1 27 27 VAL HG22 H 1 1.008 0.030 . 1 . . . . 27 VAL HG2 . 11310 1 299 . 1 1 27 27 VAL HG23 H 1 1.008 0.030 . 1 . . . . 27 VAL HG2 . 11310 1 300 . 1 1 27 27 VAL C C 13 175.902 0.300 . 1 . . . . 27 VAL C . 11310 1 301 . 1 1 27 27 VAL CA C 13 64.010 0.300 . 1 . . . . 27 VAL CA . 11310 1 302 . 1 1 27 27 VAL CB C 13 31.996 0.300 . 1 . . . . 27 VAL CB . 11310 1 303 . 1 1 27 27 VAL CG1 C 13 21.155 0.300 . 2 . . . . 27 VAL CG1 . 11310 1 304 . 1 1 27 27 VAL CG2 C 13 20.795 0.300 . 2 . . . . 27 VAL CG2 . 11310 1 305 . 1 1 27 27 VAL N N 15 114.389 0.300 . 1 . . . . 27 VAL N . 11310 1 306 . 1 1 28 28 ILE H H 1 7.495 0.030 . 1 . . . . 28 ILE H . 11310 1 307 . 1 1 28 28 ILE HA H 1 4.683 0.030 . 1 . . . . 28 ILE HA . 11310 1 308 . 1 1 28 28 ILE HB H 1 1.700 0.030 . 1 . . . . 28 ILE HB . 11310 1 309 . 1 1 28 28 ILE HD11 H 1 0.821 0.030 . 1 . . . . 28 ILE HD1 . 11310 1 310 . 1 1 28 28 ILE HD12 H 1 0.821 0.030 . 1 . . . . 28 ILE HD1 . 11310 1 311 . 1 1 28 28 ILE HD13 H 1 0.821 0.030 . 1 . . . . 28 ILE HD1 . 11310 1 312 . 1 1 28 28 ILE HG12 H 1 1.609 0.030 . 2 . . . . 28 ILE HG12 . 11310 1 313 . 1 1 28 28 ILE HG13 H 1 1.090 0.030 . 2 . . . . 28 ILE HG13 . 11310 1 314 . 1 1 28 28 ILE HG21 H 1 0.898 0.030 . 1 . . . . 28 ILE HG2 . 11310 1 315 . 1 1 28 28 ILE HG22 H 1 0.898 0.030 . 1 . . . . 28 ILE HG2 . 11310 1 316 . 1 1 28 28 ILE HG23 H 1 0.898 0.030 . 1 . . . . 28 ILE HG2 . 11310 1 317 . 1 1 28 28 ILE C C 13 173.631 0.300 . 1 . . . . 28 ILE C . 11310 1 318 . 1 1 28 28 ILE CA C 13 59.698 0.300 . 1 . . . . 28 ILE CA . 11310 1 319 . 1 1 28 28 ILE CB C 13 39.766 0.300 . 1 . . . . 28 ILE CB . 11310 1 320 . 1 1 28 28 ILE CD1 C 13 15.611 0.300 . 1 . . . . 28 ILE CD1 . 11310 1 321 . 1 1 28 28 ILE CG1 C 13 28.364 0.300 . 1 . . . . 28 ILE CG1 . 11310 1 322 . 1 1 28 28 ILE CG2 C 13 17.394 0.300 . 1 . . . . 28 ILE CG2 . 11310 1 323 . 1 1 28 28 ILE N N 15 119.776 0.300 . 1 . . . . 28 ILE N . 11310 1 324 . 1 1 29 29 SER H H 1 7.816 0.030 . 1 . . . . 29 SER H . 11310 1 325 . 1 1 29 29 SER HA H 1 4.909 0.030 . 1 . . . . 29 SER HA . 11310 1 326 . 1 1 29 29 SER HB2 H 1 3.874 0.030 . 1 . . . . 29 SER HB2 . 11310 1 327 . 1 1 29 29 SER HB3 H 1 3.874 0.030 . 1 . . . . 29 SER HB3 . 11310 1 328 . 1 1 29 29 SER C C 13 174.202 0.300 . 1 . . . . 29 SER C . 11310 1 329 . 1 1 29 29 SER CA C 13 56.759 0.300 . 1 . . . . 29 SER CA . 11310 1 330 . 1 1 29 29 SER CB C 13 65.768 0.300 . 1 . . . . 29 SER CB . 11310 1 331 . 1 1 29 29 SER N N 15 120.299 0.300 . 1 . . . . 29 SER N . 11310 1 332 . 1 1 30 30 THR H H 1 8.724 0.030 . 1 . . . . 30 THR H . 11310 1 333 . 1 1 30 30 THR HA H 1 4.791 0.030 . 1 . . . . 30 THR HA . 11310 1 334 . 1 1 30 30 THR HB H 1 4.252 0.030 . 1 . . . . 30 THR HB . 11310 1 335 . 1 1 30 30 THR HG21 H 1 1.202 0.030 . 1 . . . . 30 THR HG2 . 11310 1 336 . 1 1 30 30 THR HG22 H 1 1.202 0.030 . 1 . . . . 30 THR HG2 . 11310 1 337 . 1 1 30 30 THR HG23 H 1 1.202 0.030 . 1 . . . . 30 THR HG2 . 11310 1 338 . 1 1 30 30 THR C C 13 174.651 0.300 . 1 . . . . 30 THR C . 11310 1 339 . 1 1 30 30 THR CA C 13 60.563 0.300 . 1 . . . . 30 THR CA . 11310 1 340 . 1 1 30 30 THR CB C 13 71.830 0.300 . 1 . . . . 30 THR CB . 11310 1 341 . 1 1 30 30 THR CG2 C 13 21.430 0.300 . 1 . . . . 30 THR CG2 . 11310 1 342 . 1 1 30 30 THR N N 15 114.610 0.300 . 1 . . . . 30 THR N . 11310 1 343 . 1 1 31 31 THR H H 1 8.823 0.030 . 1 . . . . 31 THR H . 11310 1 344 . 1 1 31 31 THR HA H 1 4.641 0.030 . 1 . . . . 31 THR HA . 11310 1 345 . 1 1 31 31 THR HB H 1 4.311 0.030 . 1 . . . . 31 THR HB . 11310 1 346 . 1 1 31 31 THR HG21 H 1 1.192 0.030 . 1 . . . . 31 THR HG2 . 11310 1 347 . 1 1 31 31 THR HG22 H 1 1.192 0.030 . 1 . . . . 31 THR HG2 . 11310 1 348 . 1 1 31 31 THR HG23 H 1 1.192 0.030 . 1 . . . . 31 THR HG2 . 11310 1 349 . 1 1 31 31 THR CA C 13 60.489 0.300 . 1 . . . . 31 THR CA . 11310 1 350 . 1 1 31 31 THR CB C 13 70.025 0.300 . 1 . . . . 31 THR CB . 11310 1 351 . 1 1 31 31 THR CG2 C 13 21.406 0.300 . 1 . . . . 31 THR CG2 . 11310 1 352 . 1 1 31 31 THR N N 15 114.393 0.300 . 1 . . . . 31 THR N . 11310 1 353 . 1 1 32 32 ASP H H 1 8.411 0.030 . 1 . . . . 32 ASP H . 11310 1 354 . 1 1 33 33 ALA H H 1 8.307 0.030 . 1 . . . . 33 ALA H . 11310 1 355 . 1 1 33 33 ALA HA H 1 4.066 0.030 . 1 . . . . 33 ALA HA . 11310 1 356 . 1 1 33 33 ALA HB1 H 1 1.459 0.030 . 1 . . . . 33 ALA HB . 11310 1 357 . 1 1 33 33 ALA HB2 H 1 1.459 0.030 . 1 . . . . 33 ALA HB . 11310 1 358 . 1 1 33 33 ALA HB3 H 1 1.459 0.030 . 1 . . . . 33 ALA HB . 11310 1 359 . 1 1 33 33 ALA C C 13 178.366 0.300 . 1 . . . . 33 ALA C . 11310 1 360 . 1 1 33 33 ALA CA C 13 53.698 0.300 . 1 . . . . 33 ALA CA . 11310 1 361 . 1 1 33 33 ALA CB C 13 18.970 0.300 . 1 . . . . 33 ALA CB . 11310 1 362 . 1 1 33 33 ALA N N 15 123.023 0.300 . 1 . . . . 33 ALA N . 11310 1 363 . 1 1 34 34 GLU H H 1 8.271 0.030 . 1 . . . . 34 GLU H . 11310 1 364 . 1 1 34 34 GLU HA H 1 4.258 0.030 . 1 . . . . 34 GLU HA . 11310 1 365 . 1 1 34 34 GLU HB2 H 1 2.152 0.030 . 1 . . . . 34 GLU HB2 . 11310 1 366 . 1 1 34 34 GLU HB3 H 1 2.152 0.030 . 1 . . . . 34 GLU HB3 . 11310 1 367 . 1 1 34 34 GLU HG2 H 1 2.273 0.030 . 1 . . . . 34 GLU HG2 . 11310 1 368 . 1 1 34 34 GLU HG3 H 1 2.273 0.030 . 1 . . . . 34 GLU HG3 . 11310 1 369 . 1 1 34 34 GLU C C 13 176.594 0.300 . 1 . . . . 34 GLU C . 11310 1 370 . 1 1 34 34 GLU CA C 13 56.732 0.300 . 1 . . . . 34 GLU CA . 11310 1 371 . 1 1 34 34 GLU CB C 13 29.828 0.300 . 1 . . . . 34 GLU CB . 11310 1 372 . 1 1 34 34 GLU CG C 13 36.466 0.300 . 1 . . . . 34 GLU CG . 11310 1 373 . 1 1 34 34 GLU N N 15 117.555 0.300 . 1 . . . . 34 GLU N . 11310 1 374 . 1 1 35 35 ARG H H 1 8.099 0.030 . 1 . . . . 35 ARG H . 11310 1 375 . 1 1 35 35 ARG HA H 1 4.253 0.030 . 1 . . . . 35 ARG HA . 11310 1 376 . 1 1 35 35 ARG HB2 H 1 1.914 0.030 . 1 . . . . 35 ARG HB2 . 11310 1 377 . 1 1 35 35 ARG HB3 H 1 1.914 0.030 . 1 . . . . 35 ARG HB3 . 11310 1 378 . 1 1 35 35 ARG HD2 H 1 3.215 0.030 . 1 . . . . 35 ARG HD2 . 11310 1 379 . 1 1 35 35 ARG HD3 H 1 3.215 0.030 . 1 . . . . 35 ARG HD3 . 11310 1 380 . 1 1 35 35 ARG HG2 H 1 1.633 0.030 . 1 . . . . 35 ARG HG2 . 11310 1 381 . 1 1 35 35 ARG HG3 H 1 1.633 0.030 . 1 . . . . 35 ARG HG3 . 11310 1 382 . 1 1 35 35 ARG C C 13 175.914 0.300 . 1 . . . . 35 ARG C . 11310 1 383 . 1 1 35 35 ARG CA C 13 56.684 0.300 . 1 . . . . 35 ARG CA . 11310 1 384 . 1 1 35 35 ARG CB C 13 30.016 0.300 . 1 . . . . 35 ARG CB . 11310 1 385 . 1 1 35 35 ARG CD C 13 43.468 0.300 . 1 . . . . 35 ARG CD . 11310 1 386 . 1 1 35 35 ARG CG C 13 27.075 0.300 . 1 . . . . 35 ARG CG . 11310 1 387 . 1 1 35 35 ARG N N 15 118.695 0.300 . 1 . . . . 35 ARG N . 11310 1 388 . 1 1 36 36 GLN H H 1 8.304 0.030 . 1 . . . . 36 GLN H . 11310 1 389 . 1 1 36 36 GLN HA H 1 4.360 0.030 . 1 . . . . 36 GLN HA . 11310 1 390 . 1 1 36 36 GLN HB2 H 1 2.116 0.030 . 2 . . . . 36 GLN HB2 . 11310 1 391 . 1 1 36 36 GLN HB3 H 1 2.003 0.030 . 2 . . . . 36 GLN HB3 . 11310 1 392 . 1 1 36 36 GLN HE21 H 1 8.274 0.030 . 2 . . . . 36 GLN HE21 . 11310 1 393 . 1 1 36 36 GLN HE22 H 1 6.998 0.030 . 2 . . . . 36 GLN HE22 . 11310 1 394 . 1 1 36 36 GLN HG2 H 1 2.413 0.030 . 1 . . . . 36 GLN HG2 . 11310 1 395 . 1 1 36 36 GLN HG3 H 1 2.413 0.030 . 1 . . . . 36 GLN HG3 . 11310 1 396 . 1 1 36 36 GLN C C 13 175.477 0.300 . 1 . . . . 36 GLN C . 11310 1 397 . 1 1 36 36 GLN CA C 13 55.685 0.300 . 1 . . . . 36 GLN CA . 11310 1 398 . 1 1 36 36 GLN CB C 13 29.375 0.300 . 1 . . . . 36 GLN CB . 11310 1 399 . 1 1 36 36 GLN CG C 13 33.819 0.300 . 1 . . . . 36 GLN CG . 11310 1 400 . 1 1 36 36 GLN N N 15 119.750 0.300 . 1 . . . . 36 GLN N . 11310 1 401 . 1 1 36 36 GLN NE2 N 15 118.052 0.300 . 1 . . . . 36 GLN NE2 . 11310 1 402 . 1 1 37 37 ALA H H 1 8.330 0.030 . 1 . . . . 37 ALA H . 11310 1 403 . 1 1 37 37 ALA HA H 1 4.476 0.030 . 1 . . . . 37 ALA HA . 11310 1 404 . 1 1 37 37 ALA HB1 H 1 1.399 0.030 . 1 . . . . 37 ALA HB . 11310 1 405 . 1 1 37 37 ALA HB2 H 1 1.399 0.030 . 1 . . . . 37 ALA HB . 11310 1 406 . 1 1 37 37 ALA HB3 H 1 1.399 0.030 . 1 . . . . 37 ALA HB . 11310 1 407 . 1 1 37 37 ALA C C 13 177.370 0.300 . 1 . . . . 37 ALA C . 11310 1 408 . 1 1 37 37 ALA CA C 13 52.447 0.300 . 1 . . . . 37 ALA CA . 11310 1 409 . 1 1 37 37 ALA CB C 13 19.384 0.300 . 1 . . . . 37 ALA CB . 11310 1 410 . 1 1 37 37 ALA N N 15 124.929 0.300 . 1 . . . . 37 ALA N . 11310 1 411 . 1 1 38 38 VAL H H 1 8.959 0.030 . 1 . . . . 38 VAL H . 11310 1 412 . 1 1 38 38 VAL HA H 1 4.127 0.030 . 1 . . . . 38 VAL HA . 11310 1 413 . 1 1 38 38 VAL HB H 1 2.172 0.030 . 1 . . . . 38 VAL HB . 11310 1 414 . 1 1 38 38 VAL HG11 H 1 0.912 0.030 . 1 . . . . 38 VAL HG1 . 11310 1 415 . 1 1 38 38 VAL HG12 H 1 0.912 0.030 . 1 . . . . 38 VAL HG1 . 11310 1 416 . 1 1 38 38 VAL HG13 H 1 0.912 0.030 . 1 . . . . 38 VAL HG1 . 11310 1 417 . 1 1 38 38 VAL CB C 13 33.095 0.300 . 1 . . . . 38 VAL CB . 11310 1 418 . 1 1 38 38 VAL CG1 C 13 20.905 0.300 . 2 . . . . 38 VAL CG1 . 11310 1 419 . 1 1 39 39 THR H H 1 7.813 0.030 . 1 . . . . 39 THR H . 11310 1 420 . 1 1 39 39 THR HA H 1 4.375 0.030 . 1 . . . . 39 THR HA . 11310 1 421 . 1 1 39 39 THR HB H 1 4.518 0.030 . 1 . . . . 39 THR HB . 11310 1 422 . 1 1 39 39 THR HG21 H 1 1.205 0.030 . 1 . . . . 39 THR HG2 . 11310 1 423 . 1 1 39 39 THR HG22 H 1 1.205 0.030 . 1 . . . . 39 THR HG2 . 11310 1 424 . 1 1 39 39 THR HG23 H 1 1.205 0.030 . 1 . . . . 39 THR HG2 . 11310 1 425 . 1 1 39 39 THR CA C 13 58.456 0.300 . 1 . . . . 39 THR CA . 11310 1 426 . 1 1 39 39 THR CB C 13 69.833 0.300 . 1 . . . . 39 THR CB . 11310 1 427 . 1 1 39 39 THR CG2 C 13 22.175 0.300 . 1 . . . . 39 THR CG2 . 11310 1 428 . 1 1 40 40 PRO HA H 1 5.092 0.030 . 1 . . . . 40 PRO HA . 11310 1 429 . 1 1 40 40 PRO HB2 H 1 2.612 0.030 . 2 . . . . 40 PRO HB2 . 11310 1 430 . 1 1 40 40 PRO HB3 H 1 2.194 0.030 . 2 . . . . 40 PRO HB3 . 11310 1 431 . 1 1 40 40 PRO HD2 H 1 3.657 0.030 . 2 . . . . 40 PRO HD2 . 11310 1 432 . 1 1 40 40 PRO HD3 H 1 3.548 0.030 . 2 . . . . 40 PRO HD3 . 11310 1 433 . 1 1 40 40 PRO HG2 H 1 1.892 0.030 . 2 . . . . 40 PRO HG2 . 11310 1 434 . 1 1 40 40 PRO HG3 H 1 1.769 0.030 . 2 . . . . 40 PRO HG3 . 11310 1 435 . 1 1 40 40 PRO CA C 13 60.771 0.300 . 1 . . . . 40 PRO CA . 11310 1 436 . 1 1 40 40 PRO CB C 13 33.472 0.300 . 1 . . . . 40 PRO CB . 11310 1 437 . 1 1 40 40 PRO CD C 13 50.404 0.300 . 1 . . . . 40 PRO CD . 11310 1 438 . 1 1 40 40 PRO CG C 13 24.929 0.300 . 1 . . . . 40 PRO CG . 11310 1 439 . 1 1 41 41 PRO HA H 1 4.534 0.030 . 1 . . . . 41 PRO HA . 11310 1 440 . 1 1 41 41 PRO HB2 H 1 2.468 0.030 . 2 . . . . 41 PRO HB2 . 11310 1 441 . 1 1 41 41 PRO HB3 H 1 2.022 0.030 . 2 . . . . 41 PRO HB3 . 11310 1 442 . 1 1 41 41 PRO HD2 H 1 3.954 0.030 . 2 . . . . 41 PRO HD2 . 11310 1 443 . 1 1 41 41 PRO HD3 H 1 3.839 0.030 . 2 . . . . 41 PRO HD3 . 11310 1 444 . 1 1 41 41 PRO HG2 H 1 2.269 0.030 . 2 . . . . 41 PRO HG2 . 11310 1 445 . 1 1 41 41 PRO HG3 H 1 2.186 0.030 . 2 . . . . 41 PRO HG3 . 11310 1 446 . 1 1 41 41 PRO CA C 13 64.469 0.300 . 1 . . . . 41 PRO CA . 11310 1 447 . 1 1 41 41 PRO CB C 13 31.743 0.300 . 1 . . . . 41 PRO CB . 11310 1 448 . 1 1 41 41 PRO CD C 13 51.133 0.300 . 1 . . . . 41 PRO CD . 11310 1 449 . 1 1 41 41 PRO CG C 13 27.900 0.300 . 1 . . . . 41 PRO CG . 11310 1 450 . 1 1 42 42 GLY H H 1 8.666 0.030 . 1 . . . . 42 GLY H . 11310 1 451 . 1 1 42 42 GLY HA2 H 1 4.287 0.030 . 2 . . . . 42 GLY HA2 . 11310 1 452 . 1 1 42 42 GLY HA3 H 1 3.852 0.030 . 2 . . . . 42 GLY HA3 . 11310 1 453 . 1 1 42 42 GLY CA C 13 45.838 0.300 . 1 . . . . 42 GLY CA . 11310 1 454 . 1 1 42 42 GLY N N 15 111.143 0.300 . 1 . . . . 42 GLY N . 11310 1 455 . 1 1 43 43 LEU H H 1 7.390 0.030 . 1 . . . . 43 LEU H . 11310 1 456 . 1 1 43 43 LEU HA H 1 4.128 0.030 . 1 . . . . 43 LEU HA . 11310 1 457 . 1 1 43 43 LEU HB2 H 1 1.966 0.030 . 2 . . . . 43 LEU HB2 . 11310 1 458 . 1 1 43 43 LEU HB3 H 1 1.263 0.030 . 2 . . . . 43 LEU HB3 . 11310 1 459 . 1 1 43 43 LEU HD11 H 1 0.877 0.030 . 1 . . . . 43 LEU HD1 . 11310 1 460 . 1 1 43 43 LEU HD12 H 1 0.877 0.030 . 1 . . . . 43 LEU HD1 . 11310 1 461 . 1 1 43 43 LEU HD13 H 1 0.877 0.030 . 1 . . . . 43 LEU HD1 . 11310 1 462 . 1 1 43 43 LEU HD21 H 1 0.883 0.030 . 1 . . . . 43 LEU HD2 . 11310 1 463 . 1 1 43 43 LEU HD22 H 1 0.883 0.030 . 1 . . . . 43 LEU HD2 . 11310 1 464 . 1 1 43 43 LEU HD23 H 1 0.883 0.030 . 1 . . . . 43 LEU HD2 . 11310 1 465 . 1 1 43 43 LEU HG H 1 1.494 0.030 . 1 . . . . 43 LEU HG . 11310 1 466 . 1 1 43 43 LEU CA C 13 58.480 0.300 . 1 . . . . 43 LEU CA . 11310 1 467 . 1 1 43 43 LEU CB C 13 41.325 0.300 . 1 . . . . 43 LEU CB . 11310 1 468 . 1 1 43 43 LEU CD1 C 13 24.166 0.300 . 2 . . . . 43 LEU CD1 . 11310 1 469 . 1 1 43 43 LEU CD2 C 13 27.370 0.300 . 2 . . . . 43 LEU CD2 . 11310 1 470 . 1 1 43 43 LEU CG C 13 27.467 0.300 . 1 . . . . 43 LEU CG . 11310 1 471 . 1 1 43 43 LEU N N 15 122.124 0.300 . 1 . . . . 43 LEU N . 11310 1 472 . 1 1 44 44 GLN H H 1 9.041 0.030 . 1 . . . . 44 GLN H . 11310 1 473 . 1 1 44 44 GLN HA H 1 3.850 0.030 . 1 . . . . 44 GLN HA . 11310 1 474 . 1 1 44 44 GLN HB2 H 1 2.795 0.030 . 2 . . . . 44 GLN HB2 . 11310 1 475 . 1 1 44 44 GLN HB3 H 1 2.022 0.030 . 2 . . . . 44 GLN HB3 . 11310 1 476 . 1 1 44 44 GLN HE21 H 1 7.757 0.030 . 2 . . . . 44 GLN HE21 . 11310 1 477 . 1 1 44 44 GLN HE22 H 1 7.528 0.030 . 2 . . . . 44 GLN HE22 . 11310 1 478 . 1 1 44 44 GLN HG2 H 1 2.560 0.030 . 2 . . . . 44 GLN HG2 . 11310 1 479 . 1 1 44 44 GLN HG3 H 1 2.356 0.030 . 2 . . . . 44 GLN HG3 . 11310 1 480 . 1 1 44 44 GLN C C 13 178.099 0.300 . 1 . . . . 44 GLN C . 11310 1 481 . 1 1 44 44 GLN CA C 13 58.661 0.300 . 1 . . . . 44 GLN CA . 11310 1 482 . 1 1 44 44 GLN CB C 13 27.985 0.300 . 1 . . . . 44 GLN CB . 11310 1 483 . 1 1 44 44 GLN CG C 13 34.159 0.300 . 1 . . . . 44 GLN CG . 11310 1 484 . 1 1 44 44 GLN NE2 N 15 116.142 0.300 . 1 . . . . 44 GLN NE2 . 11310 1 485 . 1 1 45 45 GLU H H 1 9.034 0.030 . 1 . . . . 45 GLU H . 11310 1 486 . 1 1 45 45 GLU HA H 1 4.004 0.030 . 1 . . . . 45 GLU HA . 11310 1 487 . 1 1 45 45 GLU HB2 H 1 2.038 0.030 . 1 . . . . 45 GLU HB2 . 11310 1 488 . 1 1 45 45 GLU HB3 H 1 2.038 0.030 . 1 . . . . 45 GLU HB3 . 11310 1 489 . 1 1 45 45 GLU HG2 H 1 2.466 0.030 . 2 . . . . 45 GLU HG2 . 11310 1 490 . 1 1 45 45 GLU HG3 H 1 2.368 0.030 . 2 . . . . 45 GLU HG3 . 11310 1 491 . 1 1 45 45 GLU C C 13 178.402 0.300 . 1 . . . . 45 GLU C . 11310 1 492 . 1 1 45 45 GLU CA C 13 60.367 0.300 . 1 . . . . 45 GLU CA . 11310 1 493 . 1 1 45 45 GLU CB C 13 28.993 0.300 . 1 . . . . 45 GLU CB . 11310 1 494 . 1 1 45 45 GLU CG C 13 36.894 0.300 . 1 . . . . 45 GLU CG . 11310 1 495 . 1 1 45 45 GLU N N 15 119.224 0.300 . 1 . . . . 45 GLU N . 11310 1 496 . 1 1 46 46 ALA H H 1 7.561 0.030 . 1 . . . . 46 ALA H . 11310 1 497 . 1 1 46 46 ALA HA H 1 4.300 0.030 . 1 . . . . 46 ALA HA . 11310 1 498 . 1 1 46 46 ALA HB1 H 1 1.609 0.030 . 1 . . . . 46 ALA HB . 11310 1 499 . 1 1 46 46 ALA HB2 H 1 1.609 0.030 . 1 . . . . 46 ALA HB . 11310 1 500 . 1 1 46 46 ALA HB3 H 1 1.609 0.030 . 1 . . . . 46 ALA HB . 11310 1 501 . 1 1 46 46 ALA C C 13 181.315 0.300 . 1 . . . . 46 ALA C . 11310 1 502 . 1 1 46 46 ALA CA C 13 54.963 0.300 . 1 . . . . 46 ALA CA . 11310 1 503 . 1 1 46 46 ALA CB C 13 18.977 0.300 . 1 . . . . 46 ALA CB . 11310 1 504 . 1 1 46 46 ALA N N 15 120.922 0.300 . 1 . . . . 46 ALA N . 11310 1 505 . 1 1 47 47 ILE H H 1 8.355 0.030 . 1 . . . . 47 ILE H . 11310 1 506 . 1 1 47 47 ILE HA H 1 3.465 0.030 . 1 . . . . 47 ILE HA . 11310 1 507 . 1 1 47 47 ILE HB H 1 2.138 0.030 . 1 . . . . 47 ILE HB . 11310 1 508 . 1 1 47 47 ILE HD11 H 1 0.779 0.030 . 1 . . . . 47 ILE HD1 . 11310 1 509 . 1 1 47 47 ILE HD12 H 1 0.779 0.030 . 1 . . . . 47 ILE HD1 . 11310 1 510 . 1 1 47 47 ILE HD13 H 1 0.779 0.030 . 1 . . . . 47 ILE HD1 . 11310 1 511 . 1 1 47 47 ILE HG12 H 1 2.044 0.030 . 2 . . . . 47 ILE HG12 . 11310 1 512 . 1 1 47 47 ILE HG13 H 1 0.775 0.030 . 2 . . . . 47 ILE HG13 . 11310 1 513 . 1 1 47 47 ILE HG21 H 1 0.903 0.030 . 1 . . . . 47 ILE HG2 . 11310 1 514 . 1 1 47 47 ILE HG22 H 1 0.903 0.030 . 1 . . . . 47 ILE HG2 . 11310 1 515 . 1 1 47 47 ILE HG23 H 1 0.903 0.030 . 1 . . . . 47 ILE HG2 . 11310 1 516 . 1 1 47 47 ILE C C 13 177.552 0.300 . 1 . . . . 47 ILE C . 11310 1 517 . 1 1 47 47 ILE CA C 13 66.759 0.300 . 1 . . . . 47 ILE CA . 11310 1 518 . 1 1 47 47 ILE CB C 13 37.978 0.300 . 1 . . . . 47 ILE CB . 11310 1 519 . 1 1 47 47 ILE CD1 C 13 14.341 0.300 . 1 . . . . 47 ILE CD1 . 11310 1 520 . 1 1 47 47 ILE CG1 C 13 29.935 0.300 . 1 . . . . 47 ILE CG1 . 11310 1 521 . 1 1 47 47 ILE CG2 C 13 17.102 0.300 . 1 . . . . 47 ILE CG2 . 11310 1 522 . 1 1 47 47 ILE N N 15 121.421 0.300 . 1 . . . . 47 ILE N . 11310 1 523 . 1 1 48 48 ASN H H 1 8.846 0.030 . 1 . . . . 48 ASN H . 11310 1 524 . 1 1 48 48 ASN HA H 1 4.426 0.030 . 1 . . . . 48 ASN HA . 11310 1 525 . 1 1 48 48 ASN HB2 H 1 3.209 0.030 . 2 . . . . 48 ASN HB2 . 11310 1 526 . 1 1 48 48 ASN HB3 H 1 2.923 0.030 . 2 . . . . 48 ASN HB3 . 11310 1 527 . 1 1 48 48 ASN HD21 H 1 7.826 0.030 . 2 . . . . 48 ASN HD21 . 11310 1 528 . 1 1 48 48 ASN HD22 H 1 7.274 0.030 . 2 . . . . 48 ASN HD22 . 11310 1 529 . 1 1 48 48 ASN C C 13 178.463 0.300 . 1 . . . . 48 ASN C . 11310 1 530 . 1 1 48 48 ASN CA C 13 55.685 0.300 . 1 . . . . 48 ASN CA . 11310 1 531 . 1 1 48 48 ASN CB C 13 37.199 0.300 . 1 . . . . 48 ASN CB . 11310 1 532 . 1 1 48 48 ASN N N 15 119.120 0.300 . 1 . . . . 48 ASN N . 11310 1 533 . 1 1 48 48 ASN ND2 N 15 111.028 0.300 . 1 . . . . 48 ASN ND2 . 11310 1 534 . 1 1 49 49 ASP H H 1 7.883 0.030 . 1 . . . . 49 ASP H . 11310 1 535 . 1 1 49 49 ASP HA H 1 4.492 0.030 . 1 . . . . 49 ASP HA . 11310 1 536 . 1 1 49 49 ASP HB2 H 1 2.800 0.030 . 2 . . . . 49 ASP HB2 . 11310 1 537 . 1 1 49 49 ASP HB3 H 1 2.683 0.030 . 2 . . . . 49 ASP HB3 . 11310 1 538 . 1 1 49 49 ASP C C 13 178.244 0.300 . 1 . . . . 49 ASP C . 11310 1 539 . 1 1 49 49 ASP CA C 13 57.271 0.300 . 1 . . . . 49 ASP CA . 11310 1 540 . 1 1 49 49 ASP CB C 13 40.889 0.300 . 1 . . . . 49 ASP CB . 11310 1 541 . 1 1 49 49 ASP N N 15 119.131 0.300 . 1 . . . . 49 ASP N . 11310 1 542 . 1 1 50 50 LEU H H 1 7.637 0.030 . 1 . . . . 50 LEU H . 11310 1 543 . 1 1 50 50 LEU HA H 1 4.195 0.030 . 1 . . . . 50 LEU HA . 11310 1 544 . 1 1 50 50 LEU HB2 H 1 2.092 0.030 . 2 . . . . 50 LEU HB2 . 11310 1 545 . 1 1 50 50 LEU HB3 H 1 1.454 0.030 . 2 . . . . 50 LEU HB3 . 11310 1 546 . 1 1 50 50 LEU HD11 H 1 0.910 0.030 . 1 . . . . 50 LEU HD1 . 11310 1 547 . 1 1 50 50 LEU HD12 H 1 0.910 0.030 . 1 . . . . 50 LEU HD1 . 11310 1 548 . 1 1 50 50 LEU HD13 H 1 0.910 0.030 . 1 . . . . 50 LEU HD1 . 11310 1 549 . 1 1 50 50 LEU HD21 H 1 0.941 0.030 . 1 . . . . 50 LEU HD2 . 11310 1 550 . 1 1 50 50 LEU HD22 H 1 0.941 0.030 . 1 . . . . 50 LEU HD2 . 11310 1 551 . 1 1 50 50 LEU HD23 H 1 0.941 0.030 . 1 . . . . 50 LEU HD2 . 11310 1 552 . 1 1 50 50 LEU HG H 1 1.899 0.030 . 1 . . . . 50 LEU HG . 11310 1 553 . 1 1 50 50 LEU C C 13 179.470 0.300 . 1 . . . . 50 LEU C . 11310 1 554 . 1 1 50 50 LEU CA C 13 57.779 0.300 . 1 . . . . 50 LEU CA . 11310 1 555 . 1 1 50 50 LEU CB C 13 43.091 0.300 . 1 . . . . 50 LEU CB . 11310 1 556 . 1 1 50 50 LEU CD1 C 13 26.557 0.300 . 2 . . . . 50 LEU CD1 . 11310 1 557 . 1 1 50 50 LEU CD2 C 13 23.653 0.300 . 2 . . . . 50 LEU CD2 . 11310 1 558 . 1 1 50 50 LEU CG C 13 26.646 0.300 . 1 . . . . 50 LEU CG . 11310 1 559 . 1 1 50 50 LEU N N 15 120.869 0.300 . 1 . . . . 50 LEU N . 11310 1 560 . 1 1 51 51 VAL H H 1 8.437 0.030 . 1 . . . . 51 VAL H . 11310 1 561 . 1 1 51 51 VAL HA H 1 3.612 0.030 . 1 . . . . 51 VAL HA . 11310 1 562 . 1 1 51 51 VAL HB H 1 2.270 0.030 . 1 . . . . 51 VAL HB . 11310 1 563 . 1 1 51 51 VAL HG11 H 1 1.021 0.030 . 1 . . . . 51 VAL HG1 . 11310 1 564 . 1 1 51 51 VAL HG12 H 1 1.021 0.030 . 1 . . . . 51 VAL HG1 . 11310 1 565 . 1 1 51 51 VAL HG13 H 1 1.021 0.030 . 1 . . . . 51 VAL HG1 . 11310 1 566 . 1 1 51 51 VAL HG21 H 1 1.179 0.030 . 1 . . . . 51 VAL HG2 . 11310 1 567 . 1 1 51 51 VAL HG22 H 1 1.179 0.030 . 1 . . . . 51 VAL HG2 . 11310 1 568 . 1 1 51 51 VAL HG23 H 1 1.179 0.030 . 1 . . . . 51 VAL HG2 . 11310 1 569 . 1 1 51 51 VAL C C 13 178.001 0.300 . 1 . . . . 51 VAL C . 11310 1 570 . 1 1 51 51 VAL CA C 13 66.532 0.300 . 1 . . . . 51 VAL CA . 11310 1 571 . 1 1 51 51 VAL CB C 13 32.202 0.300 . 1 . . . . 51 VAL CB . 11310 1 572 . 1 1 51 51 VAL CG1 C 13 22.163 0.300 . 2 . . . . 51 VAL CG1 . 11310 1 573 . 1 1 51 51 VAL CG2 C 13 24.192 0.300 . 2 . . . . 51 VAL CG2 . 11310 1 574 . 1 1 51 51 VAL N N 15 116.964 0.300 . 1 . . . . 51 VAL N . 11310 1 575 . 1 1 52 52 LYS H H 1 7.263 0.030 . 1 . . . . 52 LYS H . 11310 1 576 . 1 1 52 52 LYS HA H 1 4.269 0.030 . 1 . . . . 52 LYS HA . 11310 1 577 . 1 1 52 52 LYS HB2 H 1 1.990 0.030 . 1 . . . . 52 LYS HB2 . 11310 1 578 . 1 1 52 52 LYS HB3 H 1 1.990 0.030 . 1 . . . . 52 LYS HB3 . 11310 1 579 . 1 1 52 52 LYS HD2 H 1 1.745 0.030 . 1 . . . . 52 LYS HD2 . 11310 1 580 . 1 1 52 52 LYS HD3 H 1 1.745 0.030 . 1 . . . . 52 LYS HD3 . 11310 1 581 . 1 1 52 52 LYS HE2 H 1 3.046 0.030 . 1 . . . . 52 LYS HE2 . 11310 1 582 . 1 1 52 52 LYS HE3 H 1 3.046 0.030 . 1 . . . . 52 LYS HE3 . 11310 1 583 . 1 1 52 52 LYS HG2 H 1 1.711 0.030 . 2 . . . . 52 LYS HG2 . 11310 1 584 . 1 1 52 52 LYS HG3 H 1 1.639 0.030 . 2 . . . . 52 LYS HG3 . 11310 1 585 . 1 1 52 52 LYS C C 13 177.479 0.300 . 1 . . . . 52 LYS C . 11310 1 586 . 1 1 52 52 LYS CA C 13 58.166 0.300 . 1 . . . . 52 LYS CA . 11310 1 587 . 1 1 52 52 LYS CB C 13 32.798 0.300 . 1 . . . . 52 LYS CB . 11310 1 588 . 1 1 52 52 LYS CD C 13 29.629 0.300 . 1 . . . . 52 LYS CD . 11310 1 589 . 1 1 52 52 LYS CE C 13 42.068 0.300 . 1 . . . . 52 LYS CE . 11310 1 590 . 1 1 52 52 LYS CG C 13 25.263 0.300 . 1 . . . . 52 LYS CG . 11310 1 591 . 1 1 52 52 LYS N N 15 115.189 0.300 . 1 . . . . 52 LYS N . 11310 1 592 . 1 1 53 53 LYS H H 1 7.678 0.030 . 1 . . . . 53 LYS H . 11310 1 593 . 1 1 53 53 LYS HA H 1 4.093 0.030 . 1 . . . . 53 LYS HA . 11310 1 594 . 1 1 53 53 LYS HB2 H 1 1.711 0.030 . 2 . . . . 53 LYS HB2 . 11310 1 595 . 1 1 53 53 LYS HB3 H 1 1.514 0.030 . 2 . . . . 53 LYS HB3 . 11310 1 596 . 1 1 53 53 LYS HE2 H 1 2.963 0.030 . 1 . . . . 53 LYS HE2 . 11310 1 597 . 1 1 53 53 LYS HE3 H 1 2.963 0.030 . 1 . . . . 53 LYS HE3 . 11310 1 598 . 1 1 53 53 LYS HG2 H 1 1.572 0.030 . 2 . . . . 53 LYS HG2 . 11310 1 599 . 1 1 53 53 LYS HG3 H 1 1.366 0.030 . 2 . . . . 53 LYS HG3 . 11310 1 600 . 1 1 53 53 LYS C C 13 176.095 0.300 . 1 . . . . 53 LYS C . 11310 1 601 . 1 1 53 53 LYS CA C 13 57.498 0.300 . 1 . . . . 53 LYS CA . 11310 1 602 . 1 1 53 53 LYS CB C 13 32.052 0.300 . 1 . . . . 53 LYS CB . 11310 1 603 . 1 1 53 53 LYS CD C 13 29.629 0.300 . 1 . . . . 53 LYS CD . 11310 1 604 . 1 1 53 53 LYS CE C 13 42.068 0.300 . 1 . . . . 53 LYS CE . 11310 1 605 . 1 1 53 53 LYS CG C 13 25.028 0.300 . 1 . . . . 53 LYS CG . 11310 1 606 . 1 1 53 53 LYS N N 15 117.043 0.300 . 1 . . . . 53 LYS N . 11310 1 607 . 1 1 54 54 TYR H H 1 7.633 0.030 . 1 . . . . 54 TYR H . 11310 1 608 . 1 1 54 54 TYR HA H 1 4.740 0.030 . 1 . . . . 54 TYR HA . 11310 1 609 . 1 1 54 54 TYR HB2 H 1 3.098 0.030 . 2 . . . . 54 TYR HB2 . 11310 1 610 . 1 1 54 54 TYR HB3 H 1 2.712 0.030 . 2 . . . . 54 TYR HB3 . 11310 1 611 . 1 1 54 54 TYR HD1 H 1 7.276 0.030 . 1 . . . . 54 TYR HD1 . 11310 1 612 . 1 1 54 54 TYR HD2 H 1 7.276 0.030 . 1 . . . . 54 TYR HD2 . 11310 1 613 . 1 1 54 54 TYR HE1 H 1 6.783 0.030 . 1 . . . . 54 TYR HE1 . 11310 1 614 . 1 1 54 54 TYR HE2 H 1 6.783 0.030 . 1 . . . . 54 TYR HE2 . 11310 1 615 . 1 1 54 54 TYR C C 13 174.591 0.300 . 1 . . . . 54 TYR C . 11310 1 616 . 1 1 54 54 TYR CA C 13 57.146 0.300 . 1 . . . . 54 TYR CA . 11310 1 617 . 1 1 54 54 TYR CB C 13 41.828 0.300 . 1 . . . . 54 TYR CB . 11310 1 618 . 1 1 54 54 TYR CD1 C 13 133.911 0.300 . 1 . . . . 54 TYR CD1 . 11310 1 619 . 1 1 54 54 TYR CD2 C 13 133.911 0.300 . 1 . . . . 54 TYR CD2 . 11310 1 620 . 1 1 54 54 TYR CE1 C 13 118.159 0.300 . 1 . . . . 54 TYR CE1 . 11310 1 621 . 1 1 54 54 TYR CE2 C 13 118.159 0.300 . 1 . . . . 54 TYR CE2 . 11310 1 622 . 1 1 54 54 TYR N N 15 118.460 0.300 . 1 . . . . 54 TYR N . 11310 1 623 . 1 1 55 55 THR H H 1 8.849 0.030 . 1 . . . . 55 THR H . 11310 1 624 . 1 1 55 55 THR HA H 1 4.290 0.030 . 1 . . . . 55 THR HA . 11310 1 625 . 1 1 55 55 THR HB H 1 4.010 0.030 . 1 . . . . 55 THR HB . 11310 1 626 . 1 1 55 55 THR HG21 H 1 1.310 0.030 . 1 . . . . 55 THR HG2 . 11310 1 627 . 1 1 55 55 THR HG22 H 1 1.310 0.030 . 1 . . . . 55 THR HG2 . 11310 1 628 . 1 1 55 55 THR HG23 H 1 1.310 0.030 . 1 . . . . 55 THR HG2 . 11310 1 629 . 1 1 55 55 THR C C 13 173.425 0.300 . 1 . . . . 55 THR C . 11310 1 630 . 1 1 55 55 THR CA C 13 63.851 0.300 . 1 . . . . 55 THR CA . 11310 1 631 . 1 1 55 55 THR CB C 13 69.662 0.300 . 1 . . . . 55 THR CB . 11310 1 632 . 1 1 55 55 THR CG2 C 13 22.427 0.300 . 1 . . . . 55 THR CG2 . 11310 1 633 . 1 1 55 55 THR N N 15 118.761 0.300 . 1 . . . . 55 THR N . 11310 1 634 . 1 1 56 56 LEU H H 1 9.019 0.030 . 1 . . . . 56 LEU H . 11310 1 635 . 1 1 56 56 LEU HA H 1 3.950 0.030 . 1 . . . . 56 LEU HA . 11310 1 636 . 1 1 56 56 LEU HB2 H 1 1.815 0.030 . 2 . . . . 56 LEU HB2 . 11310 1 637 . 1 1 56 56 LEU HB3 H 1 1.647 0.030 . 2 . . . . 56 LEU HB3 . 11310 1 638 . 1 1 56 56 LEU HD11 H 1 0.901 0.030 . 1 . . . . 56 LEU HD1 . 11310 1 639 . 1 1 56 56 LEU HD12 H 1 0.901 0.030 . 1 . . . . 56 LEU HD1 . 11310 1 640 . 1 1 56 56 LEU HD13 H 1 0.901 0.030 . 1 . . . . 56 LEU HD1 . 11310 1 641 . 1 1 56 56 LEU HD21 H 1 0.890 0.030 . 1 . . . . 56 LEU HD2 . 11310 1 642 . 1 1 56 56 LEU HD22 H 1 0.890 0.030 . 1 . . . . 56 LEU HD2 . 11310 1 643 . 1 1 56 56 LEU HD23 H 1 0.890 0.030 . 1 . . . . 56 LEU HD2 . 11310 1 644 . 1 1 56 56 LEU HG H 1 1.633 0.030 . 1 . . . . 56 LEU HG . 11310 1 645 . 1 1 56 56 LEU C C 13 175.039 0.300 . 1 . . . . 56 LEU C . 11310 1 646 . 1 1 56 56 LEU CA C 13 55.526 0.300 . 1 . . . . 56 LEU CA . 11310 1 647 . 1 1 56 56 LEU CB C 13 40.496 0.300 . 1 . . . . 56 LEU CB . 11310 1 648 . 1 1 56 56 LEU CD1 C 13 25.326 0.300 . 2 . . . . 56 LEU CD1 . 11310 1 649 . 1 1 56 56 LEU CD2 C 13 23.533 0.300 . 2 . . . . 56 LEU CD2 . 11310 1 650 . 1 1 56 56 LEU CG C 13 27.229 0.300 . 1 . . . . 56 LEU CG . 11310 1 651 . 1 1 56 56 LEU N N 15 124.272 0.300 . 1 . . . . 56 LEU N . 11310 1 652 . 1 1 57 57 ALA H H 1 7.469 0.030 . 1 . . . . 57 ALA H . 11310 1 653 . 1 1 57 57 ALA HA H 1 5.367 0.030 . 1 . . . . 57 ALA HA . 11310 1 654 . 1 1 57 57 ALA HB1 H 1 1.482 0.030 . 1 . . . . 57 ALA HB . 11310 1 655 . 1 1 57 57 ALA HB2 H 1 1.482 0.030 . 1 . . . . 57 ALA HB . 11310 1 656 . 1 1 57 57 ALA HB3 H 1 1.482 0.030 . 1 . . . . 57 ALA HB . 11310 1 657 . 1 1 57 57 ALA C C 13 177.528 0.300 . 1 . . . . 57 ALA C . 11310 1 658 . 1 1 57 57 ALA CA C 13 51.250 0.300 . 1 . . . . 57 ALA CA . 11310 1 659 . 1 1 57 57 ALA CB C 13 24.264 0.300 . 1 . . . . 57 ALA CB . 11310 1 660 . 1 1 57 57 ALA N N 15 118.864 0.300 . 1 . . . . 57 ALA N . 11310 1 661 . 1 1 58 58 ARG H H 1 8.307 0.030 . 1 . . . . 58 ARG H . 11310 1 662 . 1 1 58 58 ARG HA H 1 4.508 0.030 . 1 . . . . 58 ARG HA . 11310 1 663 . 1 1 58 58 ARG HB2 H 1 1.828 0.030 . 1 . . . . 58 ARG HB2 . 11310 1 664 . 1 1 58 58 ARG HB3 H 1 1.828 0.030 . 1 . . . . 58 ARG HB3 . 11310 1 665 . 1 1 58 58 ARG HD2 H 1 3.295 0.030 . 2 . . . . 58 ARG HD2 . 11310 1 666 . 1 1 58 58 ARG HD3 H 1 3.150 0.030 . 2 . . . . 58 ARG HD3 . 11310 1 667 . 1 1 58 58 ARG HE H 1 7.288 0.030 . 1 . . . . 58 ARG HE . 11310 1 668 . 1 1 58 58 ARG HG2 H 1 1.631 0.030 . 1 . . . . 58 ARG HG2 . 11310 1 669 . 1 1 58 58 ARG HG3 H 1 1.631 0.030 . 1 . . . . 58 ARG HG3 . 11310 1 670 . 1 1 58 58 ARG C C 13 173.474 0.300 . 1 . . . . 58 ARG C . 11310 1 671 . 1 1 58 58 ARG CA C 13 55.939 0.300 . 1 . . . . 58 ARG CA . 11310 1 672 . 1 1 58 58 ARG CB C 13 34.729 0.300 . 1 . . . . 58 ARG CB . 11310 1 673 . 1 1 58 58 ARG CD C 13 43.880 0.300 . 1 . . . . 58 ARG CD . 11310 1 674 . 1 1 58 58 ARG CG C 13 27.404 0.300 . 1 . . . . 58 ARG CG . 11310 1 675 . 1 1 58 58 ARG N N 15 116.972 0.300 . 1 . . . . 58 ARG N . 11310 1 676 . 1 1 58 58 ARG NE N 15 84.910 0.300 . 1 . . . . 58 ARG NE . 11310 1 677 . 1 1 59 59 ALA H H 1 8.300 0.030 . 1 . . . . 59 ALA H . 11310 1 678 . 1 1 59 59 ALA HA H 1 5.509 0.030 . 1 . . . . 59 ALA HA . 11310 1 679 . 1 1 59 59 ALA HB1 H 1 1.243 0.030 . 1 . . . . 59 ALA HB . 11310 1 680 . 1 1 59 59 ALA HB2 H 1 1.243 0.030 . 1 . . . . 59 ALA HB . 11310 1 681 . 1 1 59 59 ALA HB3 H 1 1.243 0.030 . 1 . . . . 59 ALA HB . 11310 1 682 . 1 1 59 59 ALA C C 13 175.161 0.300 . 1 . . . . 59 ALA C . 11310 1 683 . 1 1 59 59 ALA CA C 13 51.497 0.300 . 1 . . . . 59 ALA CA . 11310 1 684 . 1 1 59 59 ALA CB C 13 23.172 0.300 . 1 . . . . 59 ALA CB . 11310 1 685 . 1 1 59 59 ALA N N 15 121.553 0.300 . 1 . . . . 59 ALA N . 11310 1 686 . 1 1 60 60 PHE H H 1 8.990 0.030 . 1 . . . . 60 PHE H . 11310 1 687 . 1 1 60 60 PHE HA H 1 5.227 0.030 . 1 . . . . 60 PHE HA . 11310 1 688 . 1 1 60 60 PHE HB2 H 1 3.423 0.030 . 2 . . . . 60 PHE HB2 . 11310 1 689 . 1 1 60 60 PHE HB3 H 1 3.140 0.030 . 2 . . . . 60 PHE HB3 . 11310 1 690 . 1 1 60 60 PHE HD1 H 1 7.065 0.030 . 1 . . . . 60 PHE HD1 . 11310 1 691 . 1 1 60 60 PHE HD2 H 1 7.065 0.030 . 1 . . . . 60 PHE HD2 . 11310 1 692 . 1 1 60 60 PHE HE1 H 1 7.014 0.030 . 1 . . . . 60 PHE HE1 . 11310 1 693 . 1 1 60 60 PHE HE2 H 1 7.014 0.030 . 1 . . . . 60 PHE HE2 . 11310 1 694 . 1 1 60 60 PHE HZ H 1 6.919 0.030 . 1 . . . . 60 PHE HZ . 11310 1 695 . 1 1 60 60 PHE C C 13 173.801 0.300 . 1 . . . . 60 PHE C . 11310 1 696 . 1 1 60 60 PHE CA C 13 56.283 0.300 . 1 . . . . 60 PHE CA . 11310 1 697 . 1 1 60 60 PHE CB C 13 42.310 0.300 . 1 . . . . 60 PHE CB . 11310 1 698 . 1 1 60 60 PHE CD1 C 13 132.341 0.300 . 1 . . . . 60 PHE CD1 . 11310 1 699 . 1 1 60 60 PHE CD2 C 13 132.341 0.300 . 1 . . . . 60 PHE CD2 . 11310 1 700 . 1 1 60 60 PHE CE1 C 13 131.058 0.300 . 1 . . . . 60 PHE CE1 . 11310 1 701 . 1 1 60 60 PHE CE2 C 13 131.058 0.300 . 1 . . . . 60 PHE CE2 . 11310 1 702 . 1 1 60 60 PHE CZ C 13 129.840 0.300 . 1 . . . . 60 PHE CZ . 11310 1 703 . 1 1 60 60 PHE N N 15 114.520 0.300 . 1 . . . . 60 PHE N . 11310 1 704 . 1 1 61 61 VAL H H 1 8.278 0.030 . 1 . . . . 61 VAL H . 11310 1 705 . 1 1 61 61 VAL HA H 1 5.242 0.030 . 1 . . . . 61 VAL HA . 11310 1 706 . 1 1 61 61 VAL HB H 1 1.885 0.030 . 1 . . . . 61 VAL HB . 11310 1 707 . 1 1 61 61 VAL HG11 H 1 0.778 0.030 . 1 . . . . 61 VAL HG1 . 11310 1 708 . 1 1 61 61 VAL HG12 H 1 0.778 0.030 . 1 . . . . 61 VAL HG1 . 11310 1 709 . 1 1 61 61 VAL HG13 H 1 0.778 0.030 . 1 . . . . 61 VAL HG1 . 11310 1 710 . 1 1 61 61 VAL HG21 H 1 0.853 0.030 . 1 . . . . 61 VAL HG2 . 11310 1 711 . 1 1 61 61 VAL HG22 H 1 0.853 0.030 . 1 . . . . 61 VAL HG2 . 11310 1 712 . 1 1 61 61 VAL HG23 H 1 0.853 0.030 . 1 . . . . 61 VAL HG2 . 11310 1 713 . 1 1 61 61 VAL C C 13 174.809 0.300 . 1 . . . . 61 VAL C . 11310 1 714 . 1 1 61 61 VAL CA C 13 58.922 0.300 . 1 . . . . 61 VAL CA . 11310 1 715 . 1 1 61 61 VAL CB C 13 34.013 0.300 . 1 . . . . 61 VAL CB . 11310 1 716 . 1 1 61 61 VAL CG1 C 13 22.752 0.300 . 2 . . . . 61 VAL CG1 . 11310 1 717 . 1 1 61 61 VAL CG2 C 13 19.661 0.300 . 2 . . . . 61 VAL CG2 . 11310 1 718 . 1 1 61 61 VAL N N 15 113.156 0.300 . 1 . . . . 61 VAL N . 11310 1 719 . 1 1 62 62 ARG H H 1 8.999 0.030 . 1 . . . . 62 ARG H . 11310 1 720 . 1 1 62 62 ARG HA H 1 5.081 0.030 . 1 . . . . 62 ARG HA . 11310 1 721 . 1 1 62 62 ARG HB2 H 1 1.947 0.030 . 2 . . . . 62 ARG HB2 . 11310 1 722 . 1 1 62 62 ARG HB3 H 1 1.819 0.030 . 2 . . . . 62 ARG HB3 . 11310 1 723 . 1 1 62 62 ARG HD2 H 1 3.209 0.030 . 1 . . . . 62 ARG HD2 . 11310 1 724 . 1 1 62 62 ARG HD3 H 1 3.209 0.030 . 1 . . . . 62 ARG HD3 . 11310 1 725 . 1 1 62 62 ARG HG2 H 1 1.694 0.030 . 1 . . . . 62 ARG HG2 . 11310 1 726 . 1 1 62 62 ARG HG3 H 1 1.694 0.030 . 1 . . . . 62 ARG HG3 . 11310 1 727 . 1 1 62 62 ARG C C 13 174.238 0.300 . 1 . . . . 62 ARG C . 11310 1 728 . 1 1 62 62 ARG CA C 13 52.940 0.300 . 1 . . . . 62 ARG CA . 11310 1 729 . 1 1 62 62 ARG CB C 13 33.202 0.300 . 1 . . . . 62 ARG CB . 11310 1 730 . 1 1 62 62 ARG CD C 13 43.841 0.300 . 1 . . . . 62 ARG CD . 11310 1 731 . 1 1 62 62 ARG CG C 13 27.194 0.300 . 1 . . . . 62 ARG CG . 11310 1 732 . 1 1 62 62 ARG N N 15 120.929 0.300 . 1 . . . . 62 ARG N . 11310 1 733 . 1 1 63 63 PRO HA H 1 4.874 0.030 . 1 . . . . 63 PRO HA . 11310 1 734 . 1 1 63 63 PRO HB2 H 1 2.279 0.030 . 1 . . . . 63 PRO HB2 . 11310 1 735 . 1 1 63 63 PRO HB3 H 1 2.279 0.030 . 1 . . . . 63 PRO HB3 . 11310 1 736 . 1 1 63 63 PRO HD2 H 1 4.067 0.030 . 2 . . . . 63 PRO HD2 . 11310 1 737 . 1 1 63 63 PRO HD3 H 1 3.484 0.030 . 2 . . . . 63 PRO HD3 . 11310 1 738 . 1 1 63 63 PRO HG2 H 1 2.311 0.030 . 2 . . . . 63 PRO HG2 . 11310 1 739 . 1 1 63 63 PRO HG3 H 1 2.055 0.030 . 2 . . . . 63 PRO HG3 . 11310 1 740 . 1 1 63 63 PRO C C 13 176.108 0.300 . 1 . . . . 63 PRO C . 11310 1 741 . 1 1 63 63 PRO CA C 13 62.795 0.300 . 1 . . . . 63 PRO CA . 11310 1 742 . 1 1 63 63 PRO CB C 13 32.546 0.300 . 1 . . . . 63 PRO CB . 11310 1 743 . 1 1 63 63 PRO CD C 13 51.129 0.300 . 1 . . . . 63 PRO CD . 11310 1 744 . 1 1 63 63 PRO CG C 13 27.467 0.300 . 1 . . . . 63 PRO CG . 11310 1 745 . 1 1 64 64 SER H H 1 8.421 0.030 . 1 . . . . 64 SER H . 11310 1 746 . 1 1 64 64 SER HA H 1 4.570 0.030 . 1 . . . . 64 SER HA . 11310 1 747 . 1 1 64 64 SER HB2 H 1 4.452 0.030 . 2 . . . . 64 SER HB2 . 11310 1 748 . 1 1 64 64 SER HB3 H 1 3.963 0.030 . 2 . . . . 64 SER HB3 . 11310 1 749 . 1 1 64 64 SER C C 13 175.234 0.300 . 1 . . . . 64 SER C . 11310 1 750 . 1 1 64 64 SER CA C 13 57.621 0.300 . 1 . . . . 64 SER CA . 11310 1 751 . 1 1 64 64 SER CB C 13 63.380 0.300 . 1 . . . . 64 SER CB . 11310 1 752 . 1 1 64 64 SER N N 15 116.535 0.300 . 1 . . . . 64 SER N . 11310 1 753 . 1 1 65 65 GLY H H 1 8.836 0.030 . 1 . . . . 65 GLY H . 11310 1 754 . 1 1 65 65 GLY HA2 H 1 4.340 0.030 . 2 . . . . 65 GLY HA2 . 11310 1 755 . 1 1 65 65 GLY HA3 H 1 3.987 0.030 . 2 . . . . 65 GLY HA3 . 11310 1 756 . 1 1 65 65 GLY C C 13 175.683 0.300 . 1 . . . . 65 GLY C . 11310 1 757 . 1 1 65 65 GLY CA C 13 45.759 0.300 . 1 . . . . 65 GLY CA . 11310 1 758 . 1 1 65 65 GLY N N 15 112.071 0.300 . 1 . . . . 65 GLY N . 11310 1 759 . 1 1 66 66 THR H H 1 8.389 0.030 . 1 . . . . 66 THR H . 11310 1 760 . 1 1 66 66 THR HA H 1 4.518 0.030 . 1 . . . . 66 THR HA . 11310 1 761 . 1 1 66 66 THR HB H 1 4.337 0.030 . 1 . . . . 66 THR HB . 11310 1 762 . 1 1 66 66 THR HG21 H 1 1.170 0.030 . 1 . . . . 66 THR HG2 . 11310 1 763 . 1 1 66 66 THR HG22 H 1 1.170 0.030 . 1 . . . . 66 THR HG2 . 11310 1 764 . 1 1 66 66 THR HG23 H 1 1.170 0.030 . 1 . . . . 66 THR HG2 . 11310 1 765 . 1 1 66 66 THR C C 13 173.729 0.300 . 1 . . . . 66 THR C . 11310 1 766 . 1 1 66 66 THR CA C 13 61.986 0.300 . 1 . . . . 66 THR CA . 11310 1 767 . 1 1 66 66 THR CB C 13 70.507 0.300 . 1 . . . . 66 THR CB . 11310 1 768 . 1 1 66 66 THR CG2 C 13 22.050 0.300 . 1 . . . . 66 THR CG2 . 11310 1 769 . 1 1 66 66 THR N N 15 109.328 0.300 . 1 . . . . 66 THR N . 11310 1 770 . 1 1 67 67 GLU H H 1 7.954 0.030 . 1 . . . . 67 GLU H . 11310 1 771 . 1 1 67 67 GLU HA H 1 4.673 0.030 . 1 . . . . 67 GLU HA . 11310 1 772 . 1 1 67 67 GLU HB2 H 1 2.103 0.030 . 2 . . . . 67 GLU HB2 . 11310 1 773 . 1 1 67 67 GLU HB3 H 1 1.898 0.030 . 2 . . . . 67 GLU HB3 . 11310 1 774 . 1 1 67 67 GLU HG2 H 1 2.229 0.030 . 1 . . . . 67 GLU HG2 . 11310 1 775 . 1 1 67 67 GLU HG3 H 1 2.229 0.030 . 1 . . . . 67 GLU HG3 . 11310 1 776 . 1 1 67 67 GLU C C 13 175.549 0.300 . 1 . . . . 67 GLU C . 11310 1 777 . 1 1 67 67 GLU CA C 13 54.735 0.300 . 1 . . . . 67 GLU CA . 11310 1 778 . 1 1 67 67 GLU CB C 13 33.494 0.300 . 1 . . . . 67 GLU CB . 11310 1 779 . 1 1 67 67 GLU CG C 13 35.972 0.300 . 1 . . . . 67 GLU CG . 11310 1 780 . 1 1 67 67 GLU N N 15 120.394 0.300 . 1 . . . . 67 GLU N . 11310 1 781 . 1 1 68 68 ASP H H 1 8.845 0.030 . 1 . . . . 68 ASP H . 11310 1 782 . 1 1 68 68 ASP HA H 1 4.953 0.030 . 1 . . . . 68 ASP HA . 11310 1 783 . 1 1 68 68 ASP HB2 H 1 3.069 0.030 . 2 . . . . 68 ASP HB2 . 11310 1 784 . 1 1 68 68 ASP HB3 H 1 2.656 0.030 . 2 . . . . 68 ASP HB3 . 11310 1 785 . 1 1 68 68 ASP C C 13 175.112 0.300 . 1 . . . . 68 ASP C . 11310 1 786 . 1 1 68 68 ASP CA C 13 54.805 0.300 . 1 . . . . 68 ASP CA . 11310 1 787 . 1 1 68 68 ASP CB C 13 39.919 0.300 . 1 . . . . 68 ASP CB . 11310 1 788 . 1 1 68 68 ASP N N 15 123.071 0.300 . 1 . . . . 68 ASP N . 11310 1 789 . 1 1 69 69 ILE H H 1 8.154 0.030 . 1 . . . . 69 ILE H . 11310 1 790 . 1 1 69 69 ILE HA H 1 5.045 0.030 . 1 . . . . 69 ILE HA . 11310 1 791 . 1 1 69 69 ILE HB H 1 1.624 0.030 . 1 . . . . 69 ILE HB . 11310 1 792 . 1 1 69 69 ILE HD11 H 1 0.824 0.030 . 1 . . . . 69 ILE HD1 . 11310 1 793 . 1 1 69 69 ILE HD12 H 1 0.824 0.030 . 1 . . . . 69 ILE HD1 . 11310 1 794 . 1 1 69 69 ILE HD13 H 1 0.824 0.030 . 1 . . . . 69 ILE HD1 . 11310 1 795 . 1 1 69 69 ILE HG12 H 1 1.433 0.030 . 2 . . . . 69 ILE HG12 . 11310 1 796 . 1 1 69 69 ILE HG13 H 1 1.096 0.030 . 2 . . . . 69 ILE HG13 . 11310 1 797 . 1 1 69 69 ILE HG21 H 1 0.822 0.030 . 1 . . . . 69 ILE HG2 . 11310 1 798 . 1 1 69 69 ILE HG22 H 1 0.822 0.030 . 1 . . . . 69 ILE HG2 . 11310 1 799 . 1 1 69 69 ILE HG23 H 1 0.822 0.030 . 1 . . . . 69 ILE HG2 . 11310 1 800 . 1 1 69 69 ILE C C 13 174.603 0.300 . 1 . . . . 69 ILE C . 11310 1 801 . 1 1 69 69 ILE CA C 13 58.448 0.300 . 1 . . . . 69 ILE CA . 11310 1 802 . 1 1 69 69 ILE CB C 13 43.338 0.300 . 1 . . . . 69 ILE CB . 11310 1 803 . 1 1 69 69 ILE CD1 C 13 13.400 0.300 . 1 . . . . 69 ILE CD1 . 11310 1 804 . 1 1 69 69 ILE CG1 C 13 27.383 0.300 . 1 . . . . 69 ILE CG1 . 11310 1 805 . 1 1 69 69 ILE CG2 C 13 18.590 0.300 . 1 . . . . 69 ILE CG2 . 11310 1 806 . 1 1 69 69 ILE N N 15 119.799 0.300 . 1 . . . . 69 ILE N . 11310 1 807 . 1 1 70 70 VAL H H 1 9.254 0.030 . 1 . . . . 70 VAL H . 11310 1 808 . 1 1 70 70 VAL HA H 1 4.312 0.030 . 1 . . . . 70 VAL HA . 11310 1 809 . 1 1 70 70 VAL HB H 1 1.816 0.030 . 1 . . . . 70 VAL HB . 11310 1 810 . 1 1 70 70 VAL HG11 H 1 0.756 0.030 . 1 . . . . 70 VAL HG1 . 11310 1 811 . 1 1 70 70 VAL HG12 H 1 0.756 0.030 . 1 . . . . 70 VAL HG1 . 11310 1 812 . 1 1 70 70 VAL HG13 H 1 0.756 0.030 . 1 . . . . 70 VAL HG1 . 11310 1 813 . 1 1 70 70 VAL HG21 H 1 0.843 0.030 . 1 . . . . 70 VAL HG2 . 11310 1 814 . 1 1 70 70 VAL HG22 H 1 0.843 0.030 . 1 . . . . 70 VAL HG2 . 11310 1 815 . 1 1 70 70 VAL HG23 H 1 0.843 0.030 . 1 . . . . 70 VAL HG2 . 11310 1 816 . 1 1 70 70 VAL C C 13 174.688 0.300 . 1 . . . . 70 VAL C . 11310 1 817 . 1 1 70 70 VAL CA C 13 61.193 0.300 . 1 . . . . 70 VAL CA . 11310 1 818 . 1 1 70 70 VAL CB C 13 34.528 0.300 . 1 . . . . 70 VAL CB . 11310 1 819 . 1 1 70 70 VAL CG1 C 13 22.026 0.300 . 2 . . . . 70 VAL CG1 . 11310 1 820 . 1 1 70 70 VAL CG2 C 13 22.656 0.300 . 2 . . . . 70 VAL CG2 . 11310 1 821 . 1 1 70 70 VAL N N 15 123.435 0.300 . 1 . . . . 70 VAL N . 11310 1 822 . 1 1 71 71 ARG H H 1 8.434 0.030 . 1 . . . . 71 ARG H . 11310 1 823 . 1 1 71 71 ARG HA H 1 4.937 0.030 . 1 . . . . 71 ARG HA . 11310 1 824 . 1 1 71 71 ARG HB2 H 1 1.922 0.030 . 2 . . . . 71 ARG HB2 . 11310 1 825 . 1 1 71 71 ARG HB3 H 1 1.856 0.030 . 2 . . . . 71 ARG HB3 . 11310 1 826 . 1 1 71 71 ARG HD2 H 1 3.277 0.030 . 2 . . . . 71 ARG HD2 . 11310 1 827 . 1 1 71 71 ARG HD3 H 1 3.220 0.030 . 2 . . . . 71 ARG HD3 . 11310 1 828 . 1 1 71 71 ARG HG2 H 1 1.691 0.030 . 2 . . . . 71 ARG HG2 . 11310 1 829 . 1 1 71 71 ARG HG3 H 1 1.505 0.030 . 2 . . . . 71 ARG HG3 . 11310 1 830 . 1 1 71 71 ARG C C 13 175.149 0.300 . 1 . . . . 71 ARG C . 11310 1 831 . 1 1 71 71 ARG CA C 13 55.738 0.300 . 1 . . . . 71 ARG CA . 11310 1 832 . 1 1 71 71 ARG CB C 13 31.435 0.300 . 1 . . . . 71 ARG CB . 11310 1 833 . 1 1 71 71 ARG CD C 13 43.502 0.300 . 1 . . . . 71 ARG CD . 11310 1 834 . 1 1 71 71 ARG CG C 13 28.902 0.300 . 1 . . . . 71 ARG CG . 11310 1 835 . 1 1 71 71 ARG N N 15 126.357 0.300 . 1 . . . . 71 ARG N . 11310 1 836 . 1 1 72 72 VAL H H 1 9.144 0.030 . 1 . . . . 72 VAL H . 11310 1 837 . 1 1 72 72 VAL HA H 1 4.423 0.030 . 1 . . . . 72 VAL HA . 11310 1 838 . 1 1 72 72 VAL HB H 1 1.813 0.030 . 1 . . . . 72 VAL HB . 11310 1 839 . 1 1 72 72 VAL HG11 H 1 0.869 0.030 . 1 . . . . 72 VAL HG1 . 11310 1 840 . 1 1 72 72 VAL HG12 H 1 0.869 0.030 . 1 . . . . 72 VAL HG1 . 11310 1 841 . 1 1 72 72 VAL HG13 H 1 0.869 0.030 . 1 . . . . 72 VAL HG1 . 11310 1 842 . 1 1 72 72 VAL HG21 H 1 0.795 0.030 . 1 . . . . 72 VAL HG2 . 11310 1 843 . 1 1 72 72 VAL HG22 H 1 0.795 0.030 . 1 . . . . 72 VAL HG2 . 11310 1 844 . 1 1 72 72 VAL HG23 H 1 0.795 0.030 . 1 . . . . 72 VAL HG2 . 11310 1 845 . 1 1 72 72 VAL C C 13 173.316 0.300 . 1 . . . . 72 VAL C . 11310 1 846 . 1 1 72 72 VAL CA C 13 61.588 0.300 . 1 . . . . 72 VAL CA . 11310 1 847 . 1 1 72 72 VAL CB C 13 34.245 0.300 . 1 . . . . 72 VAL CB . 11310 1 848 . 1 1 72 72 VAL CG1 C 13 20.897 0.300 . 2 . . . . 72 VAL CG1 . 11310 1 849 . 1 1 72 72 VAL CG2 C 13 21.107 0.300 . 2 . . . . 72 VAL CG2 . 11310 1 850 . 1 1 72 72 VAL N N 15 125.374 0.300 . 1 . . . . 72 VAL N . 11310 1 851 . 1 1 73 73 TYR H H 1 8.567 0.030 . 1 . . . . 73 TYR H . 11310 1 852 . 1 1 73 73 TYR HA H 1 5.040 0.030 . 1 . . . . 73 TYR HA . 11310 1 853 . 1 1 73 73 TYR HB2 H 1 2.510 0.030 . 2 . . . . 73 TYR HB2 . 11310 1 854 . 1 1 73 73 TYR HB3 H 1 2.106 0.030 . 2 . . . . 73 TYR HB3 . 11310 1 855 . 1 1 73 73 TYR HD1 H 1 6.746 0.030 . 1 . . . . 73 TYR HD1 . 11310 1 856 . 1 1 73 73 TYR HD2 H 1 6.746 0.030 . 1 . . . . 73 TYR HD2 . 11310 1 857 . 1 1 73 73 TYR HE1 H 1 6.564 0.030 . 1 . . . . 73 TYR HE1 . 11310 1 858 . 1 1 73 73 TYR HE2 H 1 6.564 0.030 . 1 . . . . 73 TYR HE2 . 11310 1 859 . 1 1 73 73 TYR C C 13 173.353 0.300 . 1 . . . . 73 TYR C . 11310 1 860 . 1 1 73 73 TYR CA C 13 56.535 0.300 . 1 . . . . 73 TYR CA . 11310 1 861 . 1 1 73 73 TYR CB C 13 41.806 0.300 . 1 . . . . 73 TYR CB . 11310 1 862 . 1 1 73 73 TYR CD1 C 13 133.230 0.300 . 1 . . . . 73 TYR CD1 . 11310 1 863 . 1 1 73 73 TYR CD2 C 13 133.230 0.300 . 1 . . . . 73 TYR CD2 . 11310 1 864 . 1 1 73 73 TYR CE1 C 13 117.222 0.300 . 1 . . . . 73 TYR CE1 . 11310 1 865 . 1 1 73 73 TYR CE2 C 13 117.222 0.300 . 1 . . . . 73 TYR CE2 . 11310 1 866 . 1 1 73 73 TYR N N 15 127.987 0.300 . 1 . . . . 73 TYR N . 11310 1 867 . 1 1 74 74 ALA H H 1 8.143 0.030 . 1 . . . . 74 ALA H . 11310 1 868 . 1 1 74 74 ALA HA H 1 5.154 0.030 . 1 . . . . 74 ALA HA . 11310 1 869 . 1 1 74 74 ALA HB1 H 1 1.185 0.030 . 1 . . . . 74 ALA HB . 11310 1 870 . 1 1 74 74 ALA HB2 H 1 1.185 0.030 . 1 . . . . 74 ALA HB . 11310 1 871 . 1 1 74 74 ALA HB3 H 1 1.185 0.030 . 1 . . . . 74 ALA HB . 11310 1 872 . 1 1 74 74 ALA C C 13 174.275 0.300 . 1 . . . . 74 ALA C . 11310 1 873 . 1 1 74 74 ALA CA C 13 50.458 0.300 . 1 . . . . 74 ALA CA . 11310 1 874 . 1 1 74 74 ALA CB C 13 23.537 0.300 . 1 . . . . 74 ALA CB . 11310 1 875 . 1 1 74 74 ALA N N 15 126.574 0.300 . 1 . . . . 74 ALA N . 11310 1 876 . 1 1 75 75 GLU H H 1 8.768 0.030 . 1 . . . . 75 GLU H . 11310 1 877 . 1 1 75 75 GLU HA H 1 5.240 0.030 . 1 . . . . 75 GLU HA . 11310 1 878 . 1 1 75 75 GLU HB2 H 1 2.064 0.030 . 2 . . . . 75 GLU HB2 . 11310 1 879 . 1 1 75 75 GLU HB3 H 1 1.985 0.030 . 2 . . . . 75 GLU HB3 . 11310 1 880 . 1 1 75 75 GLU HG2 H 1 2.441 0.030 . 2 . . . . 75 GLU HG2 . 11310 1 881 . 1 1 75 75 GLU HG3 H 1 2.219 0.030 . 2 . . . . 75 GLU HG3 . 11310 1 882 . 1 1 75 75 GLU C C 13 173.886 0.300 . 1 . . . . 75 GLU C . 11310 1 883 . 1 1 75 75 GLU CA C 13 53.661 0.300 . 1 . . . . 75 GLU CA . 11310 1 884 . 1 1 75 75 GLU CB C 13 33.532 0.300 . 1 . . . . 75 GLU CB . 11310 1 885 . 1 1 75 75 GLU CG C 13 35.807 0.300 . 1 . . . . 75 GLU CG . 11310 1 886 . 1 1 75 75 GLU N N 15 117.311 0.300 . 1 . . . . 75 GLU N . 11310 1 887 . 1 1 76 76 ALA H H 1 8.247 0.030 . 1 . . . . 76 ALA H . 11310 1 888 . 1 1 76 76 ALA HA H 1 4.684 0.030 . 1 . . . . 76 ALA HA . 11310 1 889 . 1 1 76 76 ALA HB1 H 1 1.443 0.030 . 1 . . . . 76 ALA HB . 11310 1 890 . 1 1 76 76 ALA HB2 H 1 1.443 0.030 . 1 . . . . 76 ALA HB . 11310 1 891 . 1 1 76 76 ALA HB3 H 1 1.443 0.030 . 1 . . . . 76 ALA HB . 11310 1 892 . 1 1 76 76 ALA C C 13 174.639 0.300 . 1 . . . . 76 ALA C . 11310 1 893 . 1 1 76 76 ALA CA C 13 51.743 0.300 . 1 . . . . 76 ALA CA . 11310 1 894 . 1 1 76 76 ALA CB C 13 20.726 0.300 . 1 . . . . 76 ALA CB . 11310 1 895 . 1 1 76 76 ALA N N 15 118.735 0.300 . 1 . . . . 76 ALA N . 11310 1 896 . 1 1 77 77 ASN H H 1 7.893 0.030 . 1 . . . . 77 ASN H . 11310 1 897 . 1 1 77 77 ASN HA H 1 4.439 0.030 . 1 . . . . 77 ASN HA . 11310 1 898 . 1 1 77 77 ASN HB2 H 1 3.060 0.030 . 2 . . . . 77 ASN HB2 . 11310 1 899 . 1 1 77 77 ASN HB3 H 1 2.641 0.030 . 2 . . . . 77 ASN HB3 . 11310 1 900 . 1 1 77 77 ASN HD21 H 1 7.831 0.030 . 2 . . . . 77 ASN HD21 . 11310 1 901 . 1 1 77 77 ASN HD22 H 1 7.124 0.030 . 2 . . . . 77 ASN HD22 . 11310 1 902 . 1 1 77 77 ASN C C 13 174.299 0.300 . 1 . . . . 77 ASN C . 11310 1 903 . 1 1 77 77 ASN CA C 13 55.034 0.300 . 1 . . . . 77 ASN CA . 11310 1 904 . 1 1 77 77 ASN CB C 13 38.190 0.300 . 1 . . . . 77 ASN CB . 11310 1 905 . 1 1 77 77 ASN N N 15 111.272 0.300 . 1 . . . . 77 ASN N . 11310 1 906 . 1 1 77 77 ASN ND2 N 15 113.574 0.300 . 1 . . . . 77 ASN ND2 . 11310 1 907 . 1 1 78 78 SER H H 1 7.442 0.030 . 1 . . . . 78 SER H . 11310 1 908 . 1 1 78 78 SER HA H 1 4.894 0.030 . 1 . . . . 78 SER HA . 11310 1 909 . 1 1 78 78 SER HB2 H 1 4.298 0.030 . 2 . . . . 78 SER HB2 . 11310 1 910 . 1 1 78 78 SER HB3 H 1 3.922 0.030 . 2 . . . . 78 SER HB3 . 11310 1 911 . 1 1 78 78 SER C C 13 173.801 0.300 . 1 . . . . 78 SER C . 11310 1 912 . 1 1 78 78 SER CA C 13 55.685 0.300 . 1 . . . . 78 SER CA . 11310 1 913 . 1 1 78 78 SER CB C 13 66.980 0.300 . 1 . . . . 78 SER CB . 11310 1 914 . 1 1 78 78 SER N N 15 110.923 0.300 . 1 . . . . 78 SER N . 11310 1 915 . 1 1 79 79 GLN H H 1 9.541 0.030 . 1 . . . . 79 GLN H . 11310 1 916 . 1 1 79 79 GLN HA H 1 3.726 0.030 . 1 . . . . 79 GLN HA . 11310 1 917 . 1 1 79 79 GLN HB2 H 1 2.222 0.030 . 2 . . . . 79 GLN HB2 . 11310 1 918 . 1 1 79 79 GLN HB3 H 1 2.119 0.030 . 2 . . . . 79 GLN HB3 . 11310 1 919 . 1 1 79 79 GLN HE21 H 1 7.547 0.030 . 2 . . . . 79 GLN HE21 . 11310 1 920 . 1 1 79 79 GLN HE22 H 1 6.841 0.030 . 2 . . . . 79 GLN HE22 . 11310 1 921 . 1 1 79 79 GLN HG2 H 1 2.415 0.030 . 1 . . . . 79 GLN HG2 . 11310 1 922 . 1 1 79 79 GLN HG3 H 1 2.415 0.030 . 1 . . . . 79 GLN HG3 . 11310 1 923 . 1 1 79 79 GLN C C 13 177.091 0.300 . 1 . . . . 79 GLN C . 11310 1 924 . 1 1 79 79 GLN CA C 13 58.290 0.300 . 1 . . . . 79 GLN CA . 11310 1 925 . 1 1 79 79 GLN CB C 13 29.079 0.300 . 1 . . . . 79 GLN CB . 11310 1 926 . 1 1 79 79 GLN CG C 13 33.830 0.300 . 1 . . . . 79 GLN CG . 11310 1 927 . 1 1 79 79 GLN N N 15 124.736 0.300 . 1 . . . . 79 GLN N . 11310 1 928 . 1 1 79 79 GLN NE2 N 15 113.028 0.300 . 1 . . . . 79 GLN NE2 . 11310 1 929 . 1 1 80 80 GLU H H 1 8.986 0.030 . 1 . . . . 80 GLU H . 11310 1 930 . 1 1 80 80 GLU HA H 1 4.123 0.030 . 1 . . . . 80 GLU HA . 11310 1 931 . 1 1 80 80 GLU HB2 H 1 2.149 0.030 . 2 . . . . 80 GLU HB2 . 11310 1 932 . 1 1 80 80 GLU HB3 H 1 1.981 0.030 . 2 . . . . 80 GLU HB3 . 11310 1 933 . 1 1 80 80 GLU HG2 H 1 2.386 0.030 . 1 . . . . 80 GLU HG2 . 11310 1 934 . 1 1 80 80 GLU HG3 H 1 2.386 0.030 . 1 . . . . 80 GLU HG3 . 11310 1 935 . 1 1 80 80 GLU C C 13 179.762 0.300 . 1 . . . . 80 GLU C . 11310 1 936 . 1 1 80 80 GLU CA C 13 60.067 0.300 . 1 . . . . 80 GLU CA . 11310 1 937 . 1 1 80 80 GLU CB C 13 29.062 0.300 . 1 . . . . 80 GLU CB . 11310 1 938 . 1 1 80 80 GLU CG C 13 36.466 0.300 . 1 . . . . 80 GLU CG . 11310 1 939 . 1 1 80 80 GLU N N 15 117.959 0.300 . 1 . . . . 80 GLU N . 11310 1 940 . 1 1 81 81 SER H H 1 7.923 0.030 . 1 . . . . 81 SER H . 11310 1 941 . 1 1 81 81 SER HA H 1 4.223 0.030 . 1 . . . . 81 SER HA . 11310 1 942 . 1 1 81 81 SER HB2 H 1 4.010 0.030 . 2 . . . . 81 SER HB2 . 11310 1 943 . 1 1 81 81 SER HB3 H 1 3.801 0.030 . 2 . . . . 81 SER HB3 . 11310 1 944 . 1 1 81 81 SER C C 13 174.202 0.300 . 1 . . . . 81 SER C . 11310 1 945 . 1 1 81 81 SER CA C 13 62.079 0.300 . 1 . . . . 81 SER CA . 11310 1 946 . 1 1 81 81 SER CB C 13 63.359 0.300 . 1 . . . . 81 SER CB . 11310 1 947 . 1 1 81 81 SER N N 15 116.178 0.300 . 1 . . . . 81 SER N . 11310 1 948 . 1 1 82 82 ALA H H 1 8.107 0.030 . 1 . . . . 82 ALA H . 11310 1 949 . 1 1 82 82 ALA HA H 1 3.441 0.030 . 1 . . . . 82 ALA HA . 11310 1 950 . 1 1 82 82 ALA HB1 H 1 1.124 0.030 . 1 . . . . 82 ALA HB . 11310 1 951 . 1 1 82 82 ALA HB2 H 1 1.124 0.030 . 1 . . . . 82 ALA HB . 11310 1 952 . 1 1 82 82 ALA HB3 H 1 1.124 0.030 . 1 . . . . 82 ALA HB . 11310 1 953 . 1 1 82 82 ALA C C 13 178.426 0.300 . 1 . . . . 82 ALA C . 11310 1 954 . 1 1 82 82 ALA CA C 13 55.791 0.300 . 1 . . . . 82 ALA CA . 11310 1 955 . 1 1 82 82 ALA CB C 13 16.812 0.300 . 1 . . . . 82 ALA CB . 11310 1 956 . 1 1 82 82 ALA N N 15 124.889 0.300 . 1 . . . . 82 ALA N . 11310 1 957 . 1 1 83 83 ASP H H 1 8.727 0.030 . 1 . . . . 83 ASP H . 11310 1 958 . 1 1 83 83 ASP HA H 1 4.019 0.030 . 1 . . . . 83 ASP HA . 11310 1 959 . 1 1 83 83 ASP HB2 H 1 2.864 0.030 . 2 . . . . 83 ASP HB2 . 11310 1 960 . 1 1 83 83 ASP HB3 H 1 2.592 0.030 . 2 . . . . 83 ASP HB3 . 11310 1 961 . 1 1 83 83 ASP C C 13 179.410 0.300 . 1 . . . . 83 ASP C . 11310 1 962 . 1 1 83 83 ASP CA C 13 57.463 0.300 . 1 . . . . 83 ASP CA . 11310 1 963 . 1 1 83 83 ASP CB C 13 40.002 0.300 . 1 . . . . 83 ASP CB . 11310 1 964 . 1 1 83 83 ASP N N 15 117.303 0.300 . 1 . . . . 83 ASP N . 11310 1 965 . 1 1 84 84 ARG H H 1 7.791 0.030 . 1 . . . . 84 ARG H . 11310 1 966 . 1 1 84 84 ARG HA H 1 4.145 0.030 . 1 . . . . 84 ARG HA . 11310 1 967 . 1 1 84 84 ARG HB2 H 1 2.048 0.030 . 2 . . . . 84 ARG HB2 . 11310 1 968 . 1 1 84 84 ARG HB3 H 1 1.936 0.030 . 2 . . . . 84 ARG HB3 . 11310 1 969 . 1 1 84 84 ARG HD2 H 1 3.337 0.030 . 1 . . . . 84 ARG HD2 . 11310 1 970 . 1 1 84 84 ARG HD3 H 1 3.337 0.030 . 1 . . . . 84 ARG HD3 . 11310 1 971 . 1 1 84 84 ARG HE H 1 7.403 0.030 . 1 . . . . 84 ARG HE . 11310 1 972 . 1 1 84 84 ARG HG2 H 1 1.901 0.030 . 2 . . . . 84 ARG HG2 . 11310 1 973 . 1 1 84 84 ARG HG3 H 1 1.843 0.030 . 2 . . . . 84 ARG HG3 . 11310 1 974 . 1 1 84 84 ARG C C 13 177.722 0.300 . 1 . . . . 84 ARG C . 11310 1 975 . 1 1 84 84 ARG CA C 13 59.363 0.300 . 1 . . . . 84 ARG CA . 11310 1 976 . 1 1 84 84 ARG CB C 13 29.956 0.300 . 1 . . . . 84 ARG CB . 11310 1 977 . 1 1 84 84 ARG CD C 13 43.715 0.300 . 1 . . . . 84 ARG CD . 11310 1 978 . 1 1 84 84 ARG CG C 13 27.517 0.300 . 1 . . . . 84 ARG CG . 11310 1 979 . 1 1 84 84 ARG N N 15 122.150 0.300 . 1 . . . . 84 ARG N . 11310 1 980 . 1 1 84 84 ARG NE N 15 85.282 0.300 . 1 . . . . 84 ARG NE . 11310 1 981 . 1 1 85 85 LEU H H 1 8.403 0.030 . 1 . . . . 85 LEU H . 11310 1 982 . 1 1 85 85 LEU HA H 1 4.103 0.030 . 1 . . . . 85 LEU HA . 11310 1 983 . 1 1 85 85 LEU HB2 H 1 0.660 0.030 . 2 . . . . 85 LEU HB2 . 11310 1 984 . 1 1 85 85 LEU HB3 H 1 1.394 0.030 . 2 . . . . 85 LEU HB3 . 11310 1 985 . 1 1 85 85 LEU HD11 H 1 0.811 0.030 . 1 . . . . 85 LEU HD1 . 11310 1 986 . 1 1 85 85 LEU HD12 H 1 0.811 0.030 . 1 . . . . 85 LEU HD1 . 11310 1 987 . 1 1 85 85 LEU HD13 H 1 0.811 0.030 . 1 . . . . 85 LEU HD1 . 11310 1 988 . 1 1 85 85 LEU HD21 H 1 0.721 0.030 . 1 . . . . 85 LEU HD2 . 11310 1 989 . 1 1 85 85 LEU HD22 H 1 0.721 0.030 . 1 . . . . 85 LEU HD2 . 11310 1 990 . 1 1 85 85 LEU HD23 H 1 0.721 0.030 . 1 . . . . 85 LEU HD2 . 11310 1 991 . 1 1 85 85 LEU HG H 1 1.166 0.030 . 1 . . . . 85 LEU HG . 11310 1 992 . 1 1 85 85 LEU C C 13 178.293 0.300 . 1 . . . . 85 LEU C . 11310 1 993 . 1 1 85 85 LEU CA C 13 57.639 0.300 . 1 . . . . 85 LEU CA . 11310 1 994 . 1 1 85 85 LEU CB C 13 39.812 0.300 . 1 . . . . 85 LEU CB . 11310 1 995 . 1 1 85 85 LEU CD1 C 13 22.599 0.300 . 2 . . . . 85 LEU CD1 . 11310 1 996 . 1 1 85 85 LEU CD2 C 13 27.482 0.300 . 2 . . . . 85 LEU CD2 . 11310 1 997 . 1 1 85 85 LEU CG C 13 26.909 0.300 . 1 . . . . 85 LEU CG . 11310 1 998 . 1 1 85 85 LEU N N 15 121.041 0.300 . 1 . . . . 85 LEU N . 11310 1 999 . 1 1 86 86 ALA H H 1 8.306 0.030 . 1 . . . . 86 ALA H . 11310 1 1000 . 1 1 86 86 ALA HA H 1 3.570 0.030 . 1 . . . . 86 ALA HA . 11310 1 1001 . 1 1 86 86 ALA HB1 H 1 1.253 0.030 . 1 . . . . 86 ALA HB . 11310 1 1002 . 1 1 86 86 ALA HB2 H 1 1.253 0.030 . 1 . . . . 86 ALA HB . 11310 1 1003 . 1 1 86 86 ALA HB3 H 1 1.253 0.030 . 1 . . . . 86 ALA HB . 11310 1 1004 . 1 1 86 86 ALA C C 13 180.029 0.300 . 1 . . . . 86 ALA C . 11310 1 1005 . 1 1 86 86 ALA CA C 13 55.581 0.300 . 1 . . . . 86 ALA CA . 11310 1 1006 . 1 1 86 86 ALA CB C 13 17.472 0.300 . 1 . . . . 86 ALA CB . 11310 1 1007 . 1 1 86 86 ALA N N 15 118.889 0.300 . 1 . . . . 86 ALA N . 11310 1 1008 . 1 1 87 87 TYR H H 1 7.784 0.030 . 1 . . . . 87 TYR H . 11310 1 1009 . 1 1 87 87 TYR HA H 1 4.039 0.030 . 1 . . . . 87 TYR HA . 11310 1 1010 . 1 1 87 87 TYR HB2 H 1 3.254 0.030 . 1 . . . . 87 TYR HB2 . 11310 1 1011 . 1 1 87 87 TYR HB3 H 1 3.254 0.030 . 1 . . . . 87 TYR HB3 . 11310 1 1012 . 1 1 87 87 TYR HD1 H 1 6.946 0.030 . 1 . . . . 87 TYR HD1 . 11310 1 1013 . 1 1 87 87 TYR HD2 H 1 6.946 0.030 . 1 . . . . 87 TYR HD2 . 11310 1 1014 . 1 1 87 87 TYR HE1 H 1 6.603 0.030 . 1 . . . . 87 TYR HE1 . 11310 1 1015 . 1 1 87 87 TYR HE2 H 1 6.603 0.030 . 1 . . . . 87 TYR HE2 . 11310 1 1016 . 1 1 87 87 TYR C C 13 177.540 0.300 . 1 . . . . 87 TYR C . 11310 1 1017 . 1 1 87 87 TYR CA C 13 60.895 0.300 . 1 . . . . 87 TYR CA . 11310 1 1018 . 1 1 87 87 TYR CB C 13 37.613 0.300 . 1 . . . . 87 TYR CB . 11310 1 1019 . 1 1 87 87 TYR CD1 C 13 133.175 0.300 . 1 . . . . 87 TYR CD1 . 11310 1 1020 . 1 1 87 87 TYR CD2 C 13 133.175 0.300 . 1 . . . . 87 TYR CD2 . 11310 1 1021 . 1 1 87 87 TYR CE1 C 13 117.750 0.300 . 1 . . . . 87 TYR CE1 . 11310 1 1022 . 1 1 87 87 TYR CE2 C 13 117.750 0.300 . 1 . . . . 87 TYR CE2 . 11310 1 1023 . 1 1 87 87 TYR N N 15 119.623 0.300 . 1 . . . . 87 TYR N . 11310 1 1024 . 1 1 88 88 GLU H H 1 8.972 0.030 . 1 . . . . 88 GLU H . 11310 1 1025 . 1 1 88 88 GLU HA H 1 3.495 0.030 . 1 . . . . 88 GLU HA . 11310 1 1026 . 1 1 88 88 GLU HB2 H 1 2.343 0.030 . 2 . . . . 88 GLU HB2 . 11310 1 1027 . 1 1 88 88 GLU HB3 H 1 2.081 0.030 . 2 . . . . 88 GLU HB3 . 11310 1 1028 . 1 1 88 88 GLU HG2 H 1 2.795 0.030 . 2 . . . . 88 GLU HG2 . 11310 1 1029 . 1 1 88 88 GLU HG3 H 1 2.190 0.030 . 2 . . . . 88 GLU HG3 . 11310 1 1030 . 1 1 88 88 GLU C C 13 180.405 0.300 . 1 . . . . 88 GLU C . 11310 1 1031 . 1 1 88 88 GLU CA C 13 60.508 0.300 . 1 . . . . 88 GLU CA . 11310 1 1032 . 1 1 88 88 GLU CB C 13 30.231 0.300 . 1 . . . . 88 GLU CB . 11310 1 1033 . 1 1 88 88 GLU CG C 13 37.866 0.300 . 1 . . . . 88 GLU CG . 11310 1 1034 . 1 1 88 88 GLU N N 15 121.073 0.300 . 1 . . . . 88 GLU N . 11310 1 1035 . 1 1 89 89 VAL H H 1 8.816 0.030 . 1 . . . . 89 VAL H . 11310 1 1036 . 1 1 89 89 VAL HA H 1 3.473 0.030 . 1 . . . . 89 VAL HA . 11310 1 1037 . 1 1 89 89 VAL HB H 1 1.991 0.030 . 1 . . . . 89 VAL HB . 11310 1 1038 . 1 1 89 89 VAL HG11 H 1 0.742 0.030 . 1 . . . . 89 VAL HG1 . 11310 1 1039 . 1 1 89 89 VAL HG12 H 1 0.742 0.030 . 1 . . . . 89 VAL HG1 . 11310 1 1040 . 1 1 89 89 VAL HG13 H 1 0.742 0.030 . 1 . . . . 89 VAL HG1 . 11310 1 1041 . 1 1 89 89 VAL HG21 H 1 0.945 0.030 . 1 . . . . 89 VAL HG2 . 11310 1 1042 . 1 1 89 89 VAL HG22 H 1 0.945 0.030 . 1 . . . . 89 VAL HG2 . 11310 1 1043 . 1 1 89 89 VAL HG23 H 1 0.945 0.030 . 1 . . . . 89 VAL HG2 . 11310 1 1044 . 1 1 89 89 VAL C C 13 177.880 0.300 . 1 . . . . 89 VAL C . 11310 1 1045 . 1 1 89 89 VAL CA C 13 66.667 0.300 . 1 . . . . 89 VAL CA . 11310 1 1046 . 1 1 89 89 VAL CB C 13 30.987 0.300 . 1 . . . . 89 VAL CB . 11310 1 1047 . 1 1 89 89 VAL CG1 C 13 23.368 0.300 . 2 . . . . 89 VAL CG1 . 11310 1 1048 . 1 1 89 89 VAL CG2 C 13 24.276 0.300 . 2 . . . . 89 VAL CG2 . 11310 1 1049 . 1 1 89 89 VAL N N 15 120.035 0.300 . 1 . . . . 89 VAL N . 11310 1 1050 . 1 1 90 90 SER H H 1 8.502 0.030 . 1 . . . . 90 SER H . 11310 1 1051 . 1 1 90 90 SER HA H 1 3.922 0.030 . 1 . . . . 90 SER HA . 11310 1 1052 . 1 1 90 90 SER HB2 H 1 3.925 0.030 . 2 . . . . 90 SER HB2 . 11310 1 1053 . 1 1 90 90 SER HB3 H 1 3.777 0.030 . 2 . . . . 90 SER HB3 . 11310 1 1054 . 1 1 90 90 SER C C 13 175.792 0.300 . 1 . . . . 90 SER C . 11310 1 1055 . 1 1 90 90 SER CA C 13 63.253 0.300 . 1 . . . . 90 SER CA . 11310 1 1056 . 1 1 90 90 SER CB C 13 61.922 0.300 . 1 . . . . 90 SER CB . 11310 1 1057 . 1 1 90 90 SER N N 15 118.901 0.300 . 1 . . . . 90 SER N . 11310 1 1058 . 1 1 91 91 LEU H H 1 7.797 0.030 . 1 . . . . 91 LEU H . 11310 1 1059 . 1 1 91 91 LEU HA H 1 3.967 0.030 . 1 . . . . 91 LEU HA . 11310 1 1060 . 1 1 91 91 LEU HB2 H 1 1.554 0.030 . 2 . . . . 91 LEU HB2 . 11310 1 1061 . 1 1 91 91 LEU HB3 H 1 1.471 0.030 . 2 . . . . 91 LEU HB3 . 11310 1 1062 . 1 1 91 91 LEU HD11 H 1 0.706 0.030 . 1 . . . . 91 LEU HD1 . 11310 1 1063 . 1 1 91 91 LEU HD12 H 1 0.706 0.030 . 1 . . . . 91 LEU HD1 . 11310 1 1064 . 1 1 91 91 LEU HD13 H 1 0.706 0.030 . 1 . . . . 91 LEU HD1 . 11310 1 1065 . 1 1 91 91 LEU HD21 H 1 0.707 0.030 . 1 . . . . 91 LEU HD2 . 11310 1 1066 . 1 1 91 91 LEU HD22 H 1 0.707 0.030 . 1 . . . . 91 LEU HD2 . 11310 1 1067 . 1 1 91 91 LEU HD23 H 1 0.707 0.030 . 1 . . . . 91 LEU HD2 . 11310 1 1068 . 1 1 91 91 LEU HG H 1 1.298 0.030 . 1 . . . . 91 LEU HG . 11310 1 1069 . 1 1 91 91 LEU C C 13 179.301 0.300 . 1 . . . . 91 LEU C . 11310 1 1070 . 1 1 91 91 LEU CA C 13 57.938 0.300 . 1 . . . . 91 LEU CA . 11310 1 1071 . 1 1 91 91 LEU CB C 13 41.525 0.300 . 1 . . . . 91 LEU CB . 11310 1 1072 . 1 1 91 91 LEU CD1 C 13 24.408 0.300 . 2 . . . . 91 LEU CD1 . 11310 1 1073 . 1 1 91 91 LEU CD2 C 13 22.968 0.300 . 2 . . . . 91 LEU CD2 . 11310 1 1074 . 1 1 91 91 LEU CG C 13 26.233 0.300 . 1 . . . . 91 LEU CG . 11310 1 1075 . 1 1 91 91 LEU N N 15 122.703 0.300 . 1 . . . . 91 LEU N . 11310 1 1076 . 1 1 92 92 LEU H H 1 7.275 0.030 . 1 . . . . 92 LEU H . 11310 1 1077 . 1 1 92 92 LEU HA H 1 4.140 0.030 . 1 . . . . 92 LEU HA . 11310 1 1078 . 1 1 92 92 LEU HB2 H 1 2.117 0.030 . 2 . . . . 92 LEU HB2 . 11310 1 1079 . 1 1 92 92 LEU HB3 H 1 1.392 0.030 . 2 . . . . 92 LEU HB3 . 11310 1 1080 . 1 1 92 92 LEU HD11 H 1 0.893 0.030 . 1 . . . . 92 LEU HD1 . 11310 1 1081 . 1 1 92 92 LEU HD12 H 1 0.893 0.030 . 1 . . . . 92 LEU HD1 . 11310 1 1082 . 1 1 92 92 LEU HD13 H 1 0.893 0.030 . 1 . . . . 92 LEU HD1 . 11310 1 1083 . 1 1 92 92 LEU HD21 H 1 0.909 0.030 . 1 . . . . 92 LEU HD2 . 11310 1 1084 . 1 1 92 92 LEU HD22 H 1 0.909 0.030 . 1 . . . . 92 LEU HD2 . 11310 1 1085 . 1 1 92 92 LEU HD23 H 1 0.909 0.030 . 1 . . . . 92 LEU HD2 . 11310 1 1086 . 1 1 92 92 LEU HG H 1 1.825 0.030 . 1 . . . . 92 LEU HG . 11310 1 1087 . 1 1 92 92 LEU C C 13 179.288 0.300 . 1 . . . . 92 LEU C . 11310 1 1088 . 1 1 92 92 LEU CA C 13 57.814 0.300 . 1 . . . . 92 LEU CA . 11310 1 1089 . 1 1 92 92 LEU CB C 13 42.556 0.300 . 1 . . . . 92 LEU CB . 11310 1 1090 . 1 1 92 92 LEU CD1 C 13 27.194 0.300 . 2 . . . . 92 LEU CD1 . 11310 1 1091 . 1 1 92 92 LEU CD2 C 13 23.368 0.300 . 2 . . . . 92 LEU CD2 . 11310 1 1092 . 1 1 92 92 LEU CG C 13 26.370 0.300 . 1 . . . . 92 LEU CG . 11310 1 1093 . 1 1 92 92 LEU N N 15 119.551 0.300 . 1 . . . . 92 LEU N . 11310 1 1094 . 1 1 93 93 VAL H H 1 8.094 0.030 . 1 . . . . 93 VAL H . 11310 1 1095 . 1 1 93 93 VAL HA H 1 3.293 0.030 . 1 . . . . 93 VAL HA . 11310 1 1096 . 1 1 93 93 VAL HB H 1 2.223 0.030 . 1 . . . . 93 VAL HB . 11310 1 1097 . 1 1 93 93 VAL HG11 H 1 0.680 0.030 . 1 . . . . 93 VAL HG1 . 11310 1 1098 . 1 1 93 93 VAL HG12 H 1 0.680 0.030 . 1 . . . . 93 VAL HG1 . 11310 1 1099 . 1 1 93 93 VAL HG13 H 1 0.680 0.030 . 1 . . . . 93 VAL HG1 . 11310 1 1100 . 1 1 93 93 VAL HG21 H 1 0.936 0.030 . 1 . . . . 93 VAL HG2 . 11310 1 1101 . 1 1 93 93 VAL HG22 H 1 0.936 0.030 . 1 . . . . 93 VAL HG2 . 11310 1 1102 . 1 1 93 93 VAL HG23 H 1 0.936 0.030 . 1 . . . . 93 VAL HG2 . 11310 1 1103 . 1 1 93 93 VAL C C 13 177.322 0.300 . 1 . . . . 93 VAL C . 11310 1 1104 . 1 1 93 93 VAL CA C 13 66.826 0.300 . 1 . . . . 93 VAL CA . 11310 1 1105 . 1 1 93 93 VAL CB C 13 31.492 0.300 . 1 . . . . 93 VAL CB . 11310 1 1106 . 1 1 93 93 VAL CG1 C 13 21.636 0.300 . 2 . . . . 93 VAL CG1 . 11310 1 1107 . 1 1 93 93 VAL CG2 C 13 24.089 0.300 . 2 . . . . 93 VAL CG2 . 11310 1 1108 . 1 1 93 93 VAL N N 15 118.402 0.300 . 1 . . . . 93 VAL N . 11310 1 1109 . 1 1 94 94 PHE H H 1 8.521 0.030 . 1 . . . . 94 PHE H . 11310 1 1110 . 1 1 94 94 PHE HA H 1 3.650 0.030 . 1 . . . . 94 PHE HA . 11310 1 1111 . 1 1 94 94 PHE HB2 H 1 3.361 0.030 . 2 . . . . 94 PHE HB2 . 11310 1 1112 . 1 1 94 94 PHE HB3 H 1 3.076 0.030 . 2 . . . . 94 PHE HB3 . 11310 1 1113 . 1 1 94 94 PHE HD1 H 1 7.188 0.030 . 1 . . . . 94 PHE HD1 . 11310 1 1114 . 1 1 94 94 PHE HD2 H 1 7.188 0.030 . 1 . . . . 94 PHE HD2 . 11310 1 1115 . 1 1 94 94 PHE HE1 H 1 7.210 0.030 . 1 . . . . 94 PHE HE1 . 11310 1 1116 . 1 1 94 94 PHE HE2 H 1 7.210 0.030 . 1 . . . . 94 PHE HE2 . 11310 1 1117 . 1 1 94 94 PHE C C 13 177.601 0.300 . 1 . . . . 94 PHE C . 11310 1 1118 . 1 1 94 94 PHE CA C 13 62.109 0.300 . 1 . . . . 94 PHE CA . 11310 1 1119 . 1 1 94 94 PHE CB C 13 40.020 0.300 . 1 . . . . 94 PHE CB . 11310 1 1120 . 1 1 94 94 PHE CD1 C 13 131.504 0.300 . 1 . . . . 94 PHE CD1 . 11310 1 1121 . 1 1 94 94 PHE CD2 C 13 131.504 0.300 . 1 . . . . 94 PHE CD2 . 11310 1 1122 . 1 1 94 94 PHE CE1 C 13 130.943 0.300 . 1 . . . . 94 PHE CE1 . 11310 1 1123 . 1 1 94 94 PHE CE2 C 13 130.943 0.300 . 1 . . . . 94 PHE CE2 . 11310 1 1124 . 1 1 94 94 PHE N N 15 118.985 0.300 . 1 . . . . 94 PHE N . 11310 1 1125 . 1 1 95 95 GLN H H 1 8.458 0.030 . 1 . . . . 95 GLN H . 11310 1 1126 . 1 1 95 95 GLN HA H 1 4.192 0.030 . 1 . . . . 95 GLN HA . 11310 1 1127 . 1 1 95 95 GLN HB2 H 1 2.366 0.030 . 2 . . . . 95 GLN HB2 . 11310 1 1128 . 1 1 95 95 GLN HB3 H 1 2.164 0.030 . 2 . . . . 95 GLN HB3 . 11310 1 1129 . 1 1 95 95 GLN HG2 H 1 2.709 0.030 . 2 . . . . 95 GLN HG2 . 11310 1 1130 . 1 1 95 95 GLN HG3 H 1 2.517 0.030 . 2 . . . . 95 GLN HG3 . 11310 1 1131 . 1 1 95 95 GLN C C 13 178.608 0.300 . 1 . . . . 95 GLN C . 11310 1 1132 . 1 1 95 95 GLN CA C 13 58.625 0.300 . 1 . . . . 95 GLN CA . 11310 1 1133 . 1 1 95 95 GLN CB C 13 29.773 0.300 . 1 . . . . 95 GLN CB . 11310 1 1134 . 1 1 95 95 GLN CG C 13 34.242 0.300 . 1 . . . . 95 GLN CG . 11310 1 1135 . 1 1 95 95 GLN N N 15 115.697 0.300 . 1 . . . . 95 GLN N . 11310 1 1136 . 1 1 96 96 LEU H H 1 8.654 0.030 . 1 . . . . 96 LEU H . 11310 1 1137 . 1 1 96 96 LEU HA H 1 4.573 0.030 . 1 . . . . 96 LEU HA . 11310 1 1138 . 1 1 96 96 LEU HB2 H 1 1.799 0.030 . 2 . . . . 96 LEU HB2 . 11310 1 1139 . 1 1 96 96 LEU HB3 H 1 1.444 0.030 . 2 . . . . 96 LEU HB3 . 11310 1 1140 . 1 1 96 96 LEU HD11 H 1 0.862 0.030 . 1 . . . . 96 LEU HD1 . 11310 1 1141 . 1 1 96 96 LEU HD12 H 1 0.862 0.030 . 1 . . . . 96 LEU HD1 . 11310 1 1142 . 1 1 96 96 LEU HD13 H 1 0.862 0.030 . 1 . . . . 96 LEU HD1 . 11310 1 1143 . 1 1 96 96 LEU HD21 H 1 0.905 0.030 . 1 . . . . 96 LEU HD2 . 11310 1 1144 . 1 1 96 96 LEU HD22 H 1 0.905 0.030 . 1 . . . . 96 LEU HD2 . 11310 1 1145 . 1 1 96 96 LEU HD23 H 1 0.905 0.030 . 1 . . . . 96 LEU HD2 . 11310 1 1146 . 1 1 96 96 LEU HG H 1 1.861 0.030 . 1 . . . . 96 LEU HG . 11310 1 1147 . 1 1 96 96 LEU C C 13 177.880 0.300 . 1 . . . . 96 LEU C . 11310 1 1148 . 1 1 96 96 LEU CA C 13 55.985 0.300 . 1 . . . . 96 LEU CA . 11310 1 1149 . 1 1 96 96 LEU CB C 13 43.305 0.300 . 1 . . . . 96 LEU CB . 11310 1 1150 . 1 1 96 96 LEU CD1 C 13 25.189 0.300 . 2 . . . . 96 LEU CD1 . 11310 1 1151 . 1 1 96 96 LEU CD2 C 13 22.680 0.300 . 2 . . . . 96 LEU CD2 . 11310 1 1152 . 1 1 96 96 LEU CG C 13 27.458 0.300 . 1 . . . . 96 LEU CG . 11310 1 1153 . 1 1 96 96 LEU N N 15 116.123 0.300 . 1 . . . . 96 LEU N . 11310 1 1154 . 1 1 97 97 ALA H H 1 8.354 0.030 . 1 . . . . 97 ALA H . 11310 1 1155 . 1 1 97 97 ALA HA H 1 4.751 0.030 . 1 . . . . 97 ALA HA . 11310 1 1156 . 1 1 97 97 ALA HB1 H 1 1.329 0.030 . 1 . . . . 97 ALA HB . 11310 1 1157 . 1 1 97 97 ALA HB2 H 1 1.329 0.030 . 1 . . . . 97 ALA HB . 11310 1 1158 . 1 1 97 97 ALA HB3 H 1 1.329 0.030 . 1 . . . . 97 ALA HB . 11310 1 1159 . 1 1 97 97 ALA C C 13 176.532 0.300 . 1 . . . . 97 ALA C . 11310 1 1160 . 1 1 97 97 ALA CA C 13 50.282 0.300 . 1 . . . . 97 ALA CA . 11310 1 1161 . 1 1 97 97 ALA CB C 13 19.188 0.300 . 1 . . . . 97 ALA CB . 11310 1 1162 . 1 1 97 97 ALA N N 15 120.739 0.300 . 1 . . . . 97 ALA N . 11310 1 1163 . 1 1 98 98 GLY H H 1 8.120 0.030 . 1 . . . . 98 GLY H . 11310 1 1164 . 1 1 98 98 GLY HA2 H 1 3.763 0.030 . 1 . . . . 98 GLY HA2 . 11310 1 1165 . 1 1 98 98 GLY HA3 H 1 3.763 0.030 . 1 . . . . 98 GLY HA3 . 11310 1 1166 . 1 1 98 98 GLY C C 13 175.003 0.300 . 1 . . . . 98 GLY C . 11310 1 1167 . 1 1 98 98 GLY CA C 13 47.571 0.300 . 1 . . . . 98 GLY CA . 11310 1 1168 . 1 1 98 98 GLY N N 15 107.155 0.300 . 1 . . . . 98 GLY N . 11310 1 1169 . 1 1 99 99 GLY H H 1 7.885 0.030 . 1 . . . . 99 GLY H . 11310 1 1170 . 1 1 99 99 GLY HA2 H 1 4.067 0.030 . 2 . . . . 99 GLY HA2 . 11310 1 1171 . 1 1 99 99 GLY HA3 H 1 2.564 0.030 . 2 . . . . 99 GLY HA3 . 11310 1 1172 . 1 1 99 99 GLY C C 13 173.012 0.300 . 1 . . . . 99 GLY C . 11310 1 1173 . 1 1 99 99 GLY CA C 13 45.868 0.300 . 1 . . . . 99 GLY CA . 11310 1 1174 . 1 1 99 99 GLY N N 15 106.211 0.300 . 1 . . . . 99 GLY N . 11310 1 1175 . 1 1 100 100 ILE H H 1 7.734 0.030 . 1 . . . . 100 ILE H . 11310 1 1176 . 1 1 100 100 ILE HA H 1 4.560 0.030 . 1 . . . . 100 ILE HA . 11310 1 1177 . 1 1 100 100 ILE HB H 1 1.775 0.030 . 1 . . . . 100 ILE HB . 11310 1 1178 . 1 1 100 100 ILE HD11 H 1 0.800 0.030 . 1 . . . . 100 ILE HD1 . 11310 1 1179 . 1 1 100 100 ILE HD12 H 1 0.800 0.030 . 1 . . . . 100 ILE HD1 . 11310 1 1180 . 1 1 100 100 ILE HD13 H 1 0.800 0.030 . 1 . . . . 100 ILE HD1 . 11310 1 1181 . 1 1 100 100 ILE HG12 H 1 1.230 0.030 . 2 . . . . 100 ILE HG12 . 11310 1 1182 . 1 1 100 100 ILE HG13 H 1 0.747 0.030 . 2 . . . . 100 ILE HG13 . 11310 1 1183 . 1 1 100 100 ILE HG21 H 1 0.870 0.030 . 1 . . . . 100 ILE HG2 . 11310 1 1184 . 1 1 100 100 ILE HG22 H 1 0.870 0.030 . 1 . . . . 100 ILE HG2 . 11310 1 1185 . 1 1 100 100 ILE HG23 H 1 0.870 0.030 . 1 . . . . 100 ILE HG2 . 11310 1 1186 . 1 1 100 100 ILE C C 13 175.246 0.300 . 1 . . . . 100 ILE C . 11310 1 1187 . 1 1 100 100 ILE CA C 13 59.368 0.300 . 1 . . . . 100 ILE CA . 11310 1 1188 . 1 1 100 100 ILE CB C 13 41.783 0.300 . 1 . . . . 100 ILE CB . 11310 1 1189 . 1 1 100 100 ILE CD1 C 13 13.642 0.300 . 1 . . . . 100 ILE CD1 . 11310 1 1190 . 1 1 100 100 ILE CG1 C 13 26.197 0.300 . 1 . . . . 100 ILE CG1 . 11310 1 1191 . 1 1 100 100 ILE CG2 C 13 17.849 0.300 . 1 . . . . 100 ILE CG2 . 11310 1 1192 . 1 1 100 100 ILE N N 15 119.388 0.300 . 1 . . . . 100 ILE N . 11310 1 1193 . 1 1 101 101 GLY H H 1 8.526 0.030 . 1 . . . . 101 GLY H . 11310 1 1194 . 1 1 101 101 GLY HA2 H 1 4.213 0.030 . 2 . . . . 101 GLY HA2 . 11310 1 1195 . 1 1 101 101 GLY HA3 H 1 3.831 0.030 . 2 . . . . 101 GLY HA3 . 11310 1 1196 . 1 1 101 101 GLY C C 13 173.862 0.300 . 1 . . . . 101 GLY C . 11310 1 1197 . 1 1 101 101 GLY CA C 13 44.735 0.300 . 1 . . . . 101 GLY CA . 11310 1 1198 . 1 1 101 101 GLY N N 15 110.103 0.300 . 1 . . . . 101 GLY N . 11310 1 1199 . 1 1 102 102 GLU H H 1 8.356 0.030 . 1 . . . . 102 GLU H . 11310 1 1200 . 1 1 102 102 GLU HA H 1 4.233 0.030 . 1 . . . . 102 GLU HA . 11310 1 1201 . 1 1 102 102 GLU HB2 H 1 2.015 0.030 . 2 . . . . 102 GLU HB2 . 11310 1 1202 . 1 1 102 102 GLU HB3 H 1 1.939 0.030 . 2 . . . . 102 GLU HB3 . 11310 1 1203 . 1 1 102 102 GLU HG2 H 1 2.355 0.030 . 1 . . . . 102 GLU HG2 . 11310 1 1204 . 1 1 102 102 GLU HG3 H 1 2.355 0.030 . 1 . . . . 102 GLU HG3 . 11310 1 1205 . 1 1 102 102 GLU C C 13 176.411 0.300 . 1 . . . . 102 GLU C . 11310 1 1206 . 1 1 102 102 GLU CA C 13 56.284 0.300 . 1 . . . . 102 GLU CA . 11310 1 1207 . 1 1 102 102 GLU CB C 13 30.437 0.300 . 1 . . . . 102 GLU CB . 11310 1 1208 . 1 1 102 102 GLU CG C 13 36.219 0.300 . 1 . . . . 102 GLU CG . 11310 1 1209 . 1 1 102 102 GLU N N 15 121.104 0.300 . 1 . . . . 102 GLU N . 11310 1 1210 . 1 1 103 103 ARG H H 1 8.370 0.030 . 1 . . . . 103 ARG H . 11310 1 1211 . 1 1 103 103 ARG HA H 1 3.263 0.030 . 1 . . . . 103 ARG HA . 11310 1 1212 . 1 1 103 103 ARG HB2 H 1 1.415 0.030 . 1 . . . . 103 ARG HB2 . 11310 1 1213 . 1 1 103 103 ARG HB3 H 1 1.415 0.030 . 1 . . . . 103 ARG HB3 . 11310 1 1214 . 1 1 103 103 ARG HD2 H 1 3.082 0.030 . 2 . . . . 103 ARG HD2 . 11310 1 1215 . 1 1 103 103 ARG HD3 H 1 3.033 0.030 . 2 . . . . 103 ARG HD3 . 11310 1 1216 . 1 1 103 103 ARG HG2 H 1 1.246 0.030 . 1 . . . . 103 ARG HG2 . 11310 1 1217 . 1 1 103 103 ARG HG3 H 1 1.246 0.030 . 1 . . . . 103 ARG HG3 . 11310 1 1218 . 1 1 103 103 ARG C C 13 174.287 0.300 . 1 . . . . 103 ARG C . 11310 1 1219 . 1 1 103 103 ARG CA C 13 54.418 0.300 . 1 . . . . 103 ARG CA . 11310 1 1220 . 1 1 103 103 ARG CB C 13 29.723 0.300 . 1 . . . . 103 ARG CB . 11310 1 1221 . 1 1 103 103 ARG CD C 13 43.603 0.300 . 1 . . . . 103 ARG CD . 11310 1 1222 . 1 1 103 103 ARG CG C 13 26.953 0.300 . 1 . . . . 103 ARG CG . 11310 1 1223 . 1 1 103 103 ARG N N 15 124.617 0.300 . 1 . . . . 103 ARG N . 11310 1 1224 . 1 1 104 104 PRO HA H 1 4.390 0.030 . 1 . . . . 104 PRO HA . 11310 1 1225 . 1 1 104 104 PRO HB2 H 1 2.457 0.030 . 2 . . . . 104 PRO HB2 . 11310 1 1226 . 1 1 104 104 PRO HB3 H 1 1.773 0.030 . 2 . . . . 104 PRO HB3 . 11310 1 1227 . 1 1 104 104 PRO HD2 H 1 3.335 0.030 . 2 . . . . 104 PRO HD2 . 11310 1 1228 . 1 1 104 104 PRO HD3 H 1 2.906 0.030 . 2 . . . . 104 PRO HD3 . 11310 1 1229 . 1 1 104 104 PRO HG2 H 1 1.998 0.030 . 2 . . . . 104 PRO HG2 . 11310 1 1230 . 1 1 104 104 PRO HG3 H 1 1.770 0.030 . 2 . . . . 104 PRO HG3 . 11310 1 1231 . 1 1 104 104 PRO C C 13 175.185 0.300 . 1 . . . . 104 PRO C . 11310 1 1232 . 1 1 104 104 PRO CA C 13 63.253 0.300 . 1 . . . . 104 PRO CA . 11310 1 1233 . 1 1 104 104 PRO CB C 13 32.404 0.300 . 1 . . . . 104 PRO CB . 11310 1 1234 . 1 1 104 104 PRO CD C 13 50.361 0.300 . 1 . . . . 104 PRO CD . 11310 1 1235 . 1 1 104 104 PRO CG C 13 27.504 0.300 . 1 . . . . 104 PRO CG . 11310 1 1236 . 1 1 105 105 GLN H H 1 8.472 0.030 . 1 . . . . 105 GLN H . 11310 1 1237 . 1 1 105 105 GLN HA H 1 4.715 0.030 . 1 . . . . 105 GLN HA . 11310 1 1238 . 1 1 105 105 GLN HB2 H 1 2.125 0.030 . 2 . . . . 105 GLN HB2 . 11310 1 1239 . 1 1 105 105 GLN HB3 H 1 1.809 0.030 . 2 . . . . 105 GLN HB3 . 11310 1 1240 . 1 1 105 105 GLN HE21 H 1 7.560 0.030 . 2 . . . . 105 GLN HE21 . 11310 1 1241 . 1 1 105 105 GLN HE22 H 1 6.889 0.030 . 2 . . . . 105 GLN HE22 . 11310 1 1242 . 1 1 105 105 GLN HG2 H 1 2.428 0.030 . 1 . . . . 105 GLN HG2 . 11310 1 1243 . 1 1 105 105 GLN HG3 H 1 2.428 0.030 . 1 . . . . 105 GLN HG3 . 11310 1 1244 . 1 1 105 105 GLN C C 13 173.898 0.300 . 1 . . . . 105 GLN C . 11310 1 1245 . 1 1 105 105 GLN CA C 13 52.834 0.300 . 1 . . . . 105 GLN CA . 11310 1 1246 . 1 1 105 105 GLN CB C 13 30.053 0.300 . 1 . . . . 105 GLN CB . 11310 1 1247 . 1 1 105 105 GLN CG C 13 33.290 0.300 . 1 . . . . 105 GLN CG . 11310 1 1248 . 1 1 105 105 GLN N N 15 121.189 0.300 . 1 . . . . 105 GLN N . 11310 1 1249 . 1 1 105 105 GLN NE2 N 15 112.562 0.300 . 1 . . . . 105 GLN NE2 . 11310 1 1250 . 1 1 106 106 PRO HA H 1 3.685 0.030 . 1 . . . . 106 PRO HA . 11310 1 1251 . 1 1 106 106 PRO HB2 H 1 1.704 0.030 . 2 . . . . 106 PRO HB2 . 11310 1 1252 . 1 1 106 106 PRO HB3 H 1 1.620 0.030 . 2 . . . . 106 PRO HB3 . 11310 1 1253 . 1 1 106 106 PRO HD2 H 1 3.573 0.030 . 2 . . . . 106 PRO HD2 . 11310 1 1254 . 1 1 106 106 PRO HD3 H 1 3.447 0.030 . 2 . . . . 106 PRO HD3 . 11310 1 1255 . 1 1 106 106 PRO HG2 H 1 1.850 0.030 . 2 . . . . 106 PRO HG2 . 11310 1 1256 . 1 1 106 106 PRO HG3 H 1 1.527 0.030 . 2 . . . . 106 PRO HG3 . 11310 1 1257 . 1 1 106 106 PRO CA C 13 63.102 0.300 . 1 . . . . 106 PRO CA . 11310 1 1258 . 1 1 106 106 PRO CB C 13 31.493 0.300 . 1 . . . . 106 PRO CB . 11310 1 1259 . 1 1 106 106 PRO CD C 13 50.119 0.300 . 1 . . . . 106 PRO CD . 11310 1 1260 . 1 1 106 106 PRO CG C 13 26.785 0.300 . 1 . . . . 106 PRO CG . 11310 1 1261 . 1 1 107 107 SER H H 1 8.041 0.030 . 1 . . . . 107 SER H . 11310 1 1262 . 1 1 107 107 SER N N 15 115.060 0.300 . 1 . . . . 107 SER N . 11310 1 stop_ save_