data_11142 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11142 _Entry.Title ; Solution structure of the CH domain from human Smoothelin splice isoform L2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-31 _Entry.Accession_date 2010-03-31 _Entry.Last_release_date 2011-04-01 _Entry.Original_release_date 2011-04-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Tomizawa . . . 11142 2 T. Kigawa . . . 11142 3 S. Koshiba . . . 11142 4 M. Inoue . . . 11142 5 S. Yokoyama . . . 11142 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)' . 11142 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11142 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 531 11142 '15N chemical shifts' 123 11142 '1H chemical shifts' 811 11142 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-04-01 2010-03-31 original author . 11142 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D87 'BMRB Entry Tracking System' 11142 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11142 _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 CH domain from human Smoothelin splice isoform L2' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Tomizawa . . . 11142 1 2 T. Kigawa . . . 11142 1 3 S. Koshiba . . . 11142 1 4 M. Inoue . . . 11142 1 5 S. Yokoyama . . . 11142 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11142 _Assembly.ID 1 _Assembly.Name 'Smoothelin splice isoform L2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CH domain' 1 $entity_1 A . yes native no no . . . 11142 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 2d87 . . . . . . 11142 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11142 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CH 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 ; GSSGSSGIKQMLLDWCRAKT RGYEHVDIQNFSSSWSDGMA FCALVHNFFPEAFDYGQLSP QNRRQNFEVAFSSAETHADC PQLLDTEDMVRLREPDWKCV YTYIQEFYRCLVQKGLVKTK KSSGPSSG ; _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 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2D87 . "Solution Structure Of The Ch Domain From Human Smoothelin Splice Isoform L2" . . . . . 100.00 128 100.00 100.00 4.19e-91 . . . . 11142 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CH domain' . 11142 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 . 11142 1 2 . SER . 11142 1 3 . SER . 11142 1 4 . GLY . 11142 1 5 . SER . 11142 1 6 . SER . 11142 1 7 . GLY . 11142 1 8 . ILE . 11142 1 9 . LYS . 11142 1 10 . GLN . 11142 1 11 . MET . 11142 1 12 . LEU . 11142 1 13 . LEU . 11142 1 14 . ASP . 11142 1 15 . TRP . 11142 1 16 . CYS . 11142 1 17 . ARG . 11142 1 18 . ALA . 11142 1 19 . LYS . 11142 1 20 . THR . 11142 1 21 . ARG . 11142 1 22 . GLY . 11142 1 23 . TYR . 11142 1 24 . GLU . 11142 1 25 . HIS . 11142 1 26 . VAL . 11142 1 27 . ASP . 11142 1 28 . ILE . 11142 1 29 . GLN . 11142 1 30 . ASN . 11142 1 31 . PHE . 11142 1 32 . SER . 11142 1 33 . SER . 11142 1 34 . SER . 11142 1 35 . TRP . 11142 1 36 . SER . 11142 1 37 . ASP . 11142 1 38 . GLY . 11142 1 39 . MET . 11142 1 40 . ALA . 11142 1 41 . PHE . 11142 1 42 . CYS . 11142 1 43 . ALA . 11142 1 44 . LEU . 11142 1 45 . VAL . 11142 1 46 . HIS . 11142 1 47 . ASN . 11142 1 48 . PHE . 11142 1 49 . PHE . 11142 1 50 . PRO . 11142 1 51 . GLU . 11142 1 52 . ALA . 11142 1 53 . PHE . 11142 1 54 . ASP . 11142 1 55 . TYR . 11142 1 56 . GLY . 11142 1 57 . GLN . 11142 1 58 . LEU . 11142 1 59 . SER . 11142 1 60 . PRO . 11142 1 61 . GLN . 11142 1 62 . ASN . 11142 1 63 . ARG . 11142 1 64 . ARG . 11142 1 65 . GLN . 11142 1 66 . ASN . 11142 1 67 . PHE . 11142 1 68 . GLU . 11142 1 69 . VAL . 11142 1 70 . ALA . 11142 1 71 . PHE . 11142 1 72 . SER . 11142 1 73 . SER . 11142 1 74 . ALA . 11142 1 75 . GLU . 11142 1 76 . THR . 11142 1 77 . HIS . 11142 1 78 . ALA . 11142 1 79 . ASP . 11142 1 80 . CYS . 11142 1 81 . PRO . 11142 1 82 . GLN . 11142 1 83 . LEU . 11142 1 84 . LEU . 11142 1 85 . ASP . 11142 1 86 . THR . 11142 1 87 . GLU . 11142 1 88 . ASP . 11142 1 89 . MET . 11142 1 90 . VAL . 11142 1 91 . ARG . 11142 1 92 . LEU . 11142 1 93 . ARG . 11142 1 94 . GLU . 11142 1 95 . PRO . 11142 1 96 . ASP . 11142 1 97 . TRP . 11142 1 98 . LYS . 11142 1 99 . CYS . 11142 1 100 . VAL . 11142 1 101 . TYR . 11142 1 102 . THR . 11142 1 103 . TYR . 11142 1 104 . ILE . 11142 1 105 . GLN . 11142 1 106 . GLU . 11142 1 107 . PHE . 11142 1 108 . TYR . 11142 1 109 . ARG . 11142 1 110 . CYS . 11142 1 111 . LEU . 11142 1 112 . VAL . 11142 1 113 . GLN . 11142 1 114 . LYS . 11142 1 115 . GLY . 11142 1 116 . LEU . 11142 1 117 . VAL . 11142 1 118 . LYS . 11142 1 119 . THR . 11142 1 120 . LYS . 11142 1 121 . LYS . 11142 1 122 . SER . 11142 1 123 . SER . 11142 1 124 . GLY . 11142 1 125 . PRO . 11142 1 126 . SER . 11142 1 127 . SER . 11142 1 128 . GLY . 11142 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 11142 1 . SER 2 2 11142 1 . SER 3 3 11142 1 . GLY 4 4 11142 1 . SER 5 5 11142 1 . SER 6 6 11142 1 . GLY 7 7 11142 1 . ILE 8 8 11142 1 . LYS 9 9 11142 1 . GLN 10 10 11142 1 . MET 11 11 11142 1 . LEU 12 12 11142 1 . LEU 13 13 11142 1 . ASP 14 14 11142 1 . TRP 15 15 11142 1 . CYS 16 16 11142 1 . ARG 17 17 11142 1 . ALA 18 18 11142 1 . LYS 19 19 11142 1 . THR 20 20 11142 1 . ARG 21 21 11142 1 . GLY 22 22 11142 1 . TYR 23 23 11142 1 . GLU 24 24 11142 1 . HIS 25 25 11142 1 . VAL 26 26 11142 1 . ASP 27 27 11142 1 . ILE 28 28 11142 1 . GLN 29 29 11142 1 . ASN 30 30 11142 1 . PHE 31 31 11142 1 . SER 32 32 11142 1 . SER 33 33 11142 1 . SER 34 34 11142 1 . TRP 35 35 11142 1 . SER 36 36 11142 1 . ASP 37 37 11142 1 . GLY 38 38 11142 1 . MET 39 39 11142 1 . ALA 40 40 11142 1 . PHE 41 41 11142 1 . CYS 42 42 11142 1 . ALA 43 43 11142 1 . LEU 44 44 11142 1 . VAL 45 45 11142 1 . HIS 46 46 11142 1 . ASN 47 47 11142 1 . PHE 48 48 11142 1 . PHE 49 49 11142 1 . PRO 50 50 11142 1 . GLU 51 51 11142 1 . ALA 52 52 11142 1 . PHE 53 53 11142 1 . ASP 54 54 11142 1 . TYR 55 55 11142 1 . GLY 56 56 11142 1 . GLN 57 57 11142 1 . LEU 58 58 11142 1 . SER 59 59 11142 1 . PRO 60 60 11142 1 . GLN 61 61 11142 1 . ASN 62 62 11142 1 . ARG 63 63 11142 1 . ARG 64 64 11142 1 . GLN 65 65 11142 1 . ASN 66 66 11142 1 . PHE 67 67 11142 1 . GLU 68 68 11142 1 . VAL 69 69 11142 1 . ALA 70 70 11142 1 . PHE 71 71 11142 1 . SER 72 72 11142 1 . SER 73 73 11142 1 . ALA 74 74 11142 1 . GLU 75 75 11142 1 . THR 76 76 11142 1 . HIS 77 77 11142 1 . ALA 78 78 11142 1 . ASP 79 79 11142 1 . CYS 80 80 11142 1 . PRO 81 81 11142 1 . GLN 82 82 11142 1 . LEU 83 83 11142 1 . LEU 84 84 11142 1 . ASP 85 85 11142 1 . THR 86 86 11142 1 . GLU 87 87 11142 1 . ASP 88 88 11142 1 . MET 89 89 11142 1 . VAL 90 90 11142 1 . ARG 91 91 11142 1 . LEU 92 92 11142 1 . ARG 93 93 11142 1 . GLU 94 94 11142 1 . PRO 95 95 11142 1 . ASP 96 96 11142 1 . TRP 97 97 11142 1 . LYS 98 98 11142 1 . CYS 99 99 11142 1 . VAL 100 100 11142 1 . TYR 101 101 11142 1 . THR 102 102 11142 1 . TYR 103 103 11142 1 . ILE 104 104 11142 1 . GLN 105 105 11142 1 . GLU 106 106 11142 1 . PHE 107 107 11142 1 . TYR 108 108 11142 1 . ARG 109 109 11142 1 . CYS 110 110 11142 1 . LEU 111 111 11142 1 . VAL 112 112 11142 1 . GLN 113 113 11142 1 . LYS 114 114 11142 1 . GLY 115 115 11142 1 . LEU 116 116 11142 1 . VAL 117 117 11142 1 . LYS 118 118 11142 1 . THR 119 119 11142 1 . LYS 120 120 11142 1 . LYS 121 121 11142 1 . SER 122 122 11142 1 . SER 123 123 11142 1 . GLY 124 124 11142 1 . PRO 125 125 11142 1 . SER 126 126 11142 1 . SER 127 127 11142 1 . GLY 128 128 11142 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 11142 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11142 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 11142 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' . . 562 Escherichia coli . . . . . . . . . . . . . . . . P050425-09 . . . . . . 11142 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11142 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.68mM CH domain {U-15N,13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CH domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.68 . . mM . . . . 11142 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11142 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11142 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11142 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11142 1 6 H2O . . . . . . solvent 90 . . % . . . . 11142 1 7 D2O . . . . . . solvent 10 . . % . . . . 11142 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 11142 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11142 1 pH 7.0 0.05 pH 11142 1 pressure 1 0.001 atm 11142 1 temperature 296 0.1 K 11142 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11142 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11142 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11142 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11142 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11142 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11142 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11142 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11142 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11142 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11142 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11142 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11142 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11142 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11142 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11142 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 11142 _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 11142 _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 . . . 11142 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 11142 _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 . . . . . . . . . . . . . . . . 11142 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11142 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 11142 _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 . . . . . . . . . 11142 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11142 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11142 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 11142 _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 11142 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11142 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 . . 11142 1 2 $NMRPipe . . 11142 1 3 $NMRview . . 11142 1 4 $Kujira . . 11142 1 5 $CYANA . . 11142 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.759 0.030 . 1 . . . . 1 GLY HA2 . 11142 1 2 . 1 1 1 1 GLY HA3 H 1 3.759 0.030 . 1 . . . . 1 GLY HA3 . 11142 1 3 . 1 1 1 1 GLY CA C 13 41.429 0.300 . 1 . . . . 1 GLY CA . 11142 1 4 . 1 1 4 4 GLY HA2 H 1 3.927 0.030 . 1 . . . . 4 GLY HA2 . 11142 1 5 . 1 1 4 4 GLY HA3 H 1 3.927 0.030 . 1 . . . . 4 GLY HA3 . 11142 1 6 . 1 1 4 4 GLY CA C 13 43.149 0.300 . 1 . . . . 4 GLY CA . 11142 1 7 . 1 1 7 7 GLY HA2 H 1 3.931 0.030 . 1 . . . . 7 GLY HA2 . 11142 1 8 . 1 1 7 7 GLY HA3 H 1 3.931 0.030 . 1 . . . . 7 GLY HA3 . 11142 1 9 . 1 1 7 7 GLY C C 13 172.982 0.300 . 1 . . . . 7 GLY C . 11142 1 10 . 1 1 7 7 GLY CA C 13 43.675 0.300 . 1 . . . . 7 GLY CA . 11142 1 11 . 1 1 8 8 ILE H H 1 7.869 0.030 . 1 . . . . 8 ILE H . 11142 1 12 . 1 1 8 8 ILE HA H 1 3.886 0.030 . 1 . . . . 8 ILE HA . 11142 1 13 . 1 1 8 8 ILE HB H 1 1.833 0.030 . 1 . . . . 8 ILE HB . 11142 1 14 . 1 1 8 8 ILE HD11 H 1 0.729 0.030 . 1 . . . . 8 ILE HD1 . 11142 1 15 . 1 1 8 8 ILE HD12 H 1 0.729 0.030 . 1 . . . . 8 ILE HD1 . 11142 1 16 . 1 1 8 8 ILE HD13 H 1 0.729 0.030 . 1 . . . . 8 ILE HD1 . 11142 1 17 . 1 1 8 8 ILE HG12 H 1 1.141 0.030 . 2 . . . . 8 ILE HG12 . 11142 1 18 . 1 1 8 8 ILE HG13 H 1 1.437 0.030 . 2 . . . . 8 ILE HG13 . 11142 1 19 . 1 1 8 8 ILE HG21 H 1 0.859 0.030 . 1 . . . . 8 ILE HG2 . 11142 1 20 . 1 1 8 8 ILE HG22 H 1 0.859 0.030 . 1 . . . . 8 ILE HG2 . 11142 1 21 . 1 1 8 8 ILE HG23 H 1 0.859 0.030 . 1 . . . . 8 ILE HG2 . 11142 1 22 . 1 1 8 8 ILE C C 13 174.753 0.300 . 1 . . . . 8 ILE C . 11142 1 23 . 1 1 8 8 ILE CA C 13 61.127 0.300 . 1 . . . . 8 ILE CA . 11142 1 24 . 1 1 8 8 ILE CB C 13 35.523 0.300 . 1 . . . . 8 ILE CB . 11142 1 25 . 1 1 8 8 ILE CD1 C 13 10.424 0.300 . 1 . . . . 8 ILE CD1 . 11142 1 26 . 1 1 8 8 ILE CG1 C 13 25.750 0.300 . 1 . . . . 8 ILE CG1 . 11142 1 27 . 1 1 8 8 ILE CG2 C 13 15.152 0.300 . 1 . . . . 8 ILE CG2 . 11142 1 28 . 1 1 8 8 ILE N N 15 121.143 0.300 . 1 . . . . 8 ILE N . 11142 1 29 . 1 1 9 9 LYS H H 1 7.938 0.030 . 1 . . . . 9 LYS H . 11142 1 30 . 1 1 9 9 LYS HA H 1 4.159 0.030 . 1 . . . . 9 LYS HA . 11142 1 31 . 1 1 9 9 LYS HB2 H 1 1.652 0.030 . 2 . . . . 9 LYS HB2 . 11142 1 32 . 1 1 9 9 LYS HB3 H 1 1.704 0.030 . 2 . . . . 9 LYS HB3 . 11142 1 33 . 1 1 9 9 LYS HD2 H 1 1.214 0.030 . 1 . . . . 9 LYS HD2 . 11142 1 34 . 1 1 9 9 LYS HD3 H 1 1.214 0.030 . 1 . . . . 9 LYS HD3 . 11142 1 35 . 1 1 9 9 LYS HE2 H 1 2.506 0.030 . 2 . . . . 9 LYS HE2 . 11142 1 36 . 1 1 9 9 LYS HE3 H 1 2.282 0.030 . 2 . . . . 9 LYS HE3 . 11142 1 37 . 1 1 9 9 LYS HG2 H 1 1.121 0.030 . 1 . . . . 9 LYS HG2 . 11142 1 38 . 1 1 9 9 LYS HG3 H 1 1.121 0.030 . 1 . . . . 9 LYS HG3 . 11142 1 39 . 1 1 9 9 LYS C C 13 175.598 0.300 . 1 . . . . 9 LYS C . 11142 1 40 . 1 1 9 9 LYS CA C 13 57.909 0.300 . 1 . . . . 9 LYS CA . 11142 1 41 . 1 1 9 9 LYS CB C 13 30.042 0.300 . 1 . . . . 9 LYS CB . 11142 1 42 . 1 1 9 9 LYS CD C 13 27.359 0.300 . 1 . . . . 9 LYS CD . 11142 1 43 . 1 1 9 9 LYS CE C 13 39.578 0.300 . 1 . . . . 9 LYS CE . 11142 1 44 . 1 1 9 9 LYS CG C 13 22.627 0.300 . 1 . . . . 9 LYS CG . 11142 1 45 . 1 1 9 9 LYS N N 15 122.126 0.300 . 1 . . . . 9 LYS N . 11142 1 46 . 1 1 10 10 GLN H H 1 7.853 0.030 . 1 . . . . 10 GLN H . 11142 1 47 . 1 1 10 10 GLN HA H 1 3.841 0.030 . 1 . . . . 10 GLN HA . 11142 1 48 . 1 1 10 10 GLN HB2 H 1 2.079 0.030 . 2 . . . . 10 GLN HB2 . 11142 1 49 . 1 1 10 10 GLN HB3 H 1 1.940 0.030 . 2 . . . . 10 GLN HB3 . 11142 1 50 . 1 1 10 10 GLN HE21 H 1 6.686 0.030 . 2 . . . . 10 GLN HE21 . 11142 1 51 . 1 1 10 10 GLN HE22 H 1 7.769 0.030 . 2 . . . . 10 GLN HE22 . 11142 1 52 . 1 1 10 10 GLN HG2 H 1 2.327 0.030 . 1 . . . . 10 GLN HG2 . 11142 1 53 . 1 1 10 10 GLN HG3 H 1 2.327 0.030 . 1 . . . . 10 GLN HG3 . 11142 1 54 . 1 1 10 10 GLN C C 13 175.279 0.300 . 1 . . . . 10 GLN C . 11142 1 55 . 1 1 10 10 GLN CA C 13 55.902 0.300 . 1 . . . . 10 GLN CA . 11142 1 56 . 1 1 10 10 GLN CB C 13 25.828 0.300 . 1 . . . . 10 GLN CB . 11142 1 57 . 1 1 10 10 GLN CG C 13 31.039 0.300 . 1 . . . . 10 GLN CG . 11142 1 58 . 1 1 10 10 GLN N N 15 117.762 0.300 . 1 . . . . 10 GLN N . 11142 1 59 . 1 1 10 10 GLN NE2 N 15 114.510 0.300 . 1 . . . . 10 GLN NE2 . 11142 1 60 . 1 1 11 11 MET H H 1 7.978 0.030 . 1 . . . . 11 MET H . 11142 1 61 . 1 1 11 11 MET HA H 1 4.155 0.030 . 1 . . . . 11 MET HA . 11142 1 62 . 1 1 11 11 MET HB2 H 1 2.448 0.030 . 2 . . . . 11 MET HB2 . 11142 1 63 . 1 1 11 11 MET HB3 H 1 2.696 0.030 . 2 . . . . 11 MET HB3 . 11142 1 64 . 1 1 11 11 MET HE1 H 1 1.809 0.030 . 1 . . . . 11 MET HE . 11142 1 65 . 1 1 11 11 MET HE2 H 1 1.809 0.030 . 1 . . . . 11 MET HE . 11142 1 66 . 1 1 11 11 MET HE3 H 1 1.809 0.030 . 1 . . . . 11 MET HE . 11142 1 67 . 1 1 11 11 MET HG2 H 1 2.133 0.030 . 1 . . . . 11 MET HG2 . 11142 1 68 . 1 1 11 11 MET HG3 H 1 2.133 0.030 . 1 . . . . 11 MET HG3 . 11142 1 69 . 1 1 11 11 MET C C 13 177.486 0.300 . 1 . . . . 11 MET C . 11142 1 70 . 1 1 11 11 MET CA C 13 57.016 0.300 . 1 . . . . 11 MET CA . 11142 1 71 . 1 1 11 11 MET CB C 13 29.817 0.300 . 1 . . . . 11 MET CB . 11142 1 72 . 1 1 11 11 MET CE C 13 14.768 0.300 . 1 . . . . 11 MET CE . 11142 1 73 . 1 1 11 11 MET CG C 13 29.845 0.300 . 1 . . . . 11 MET CG . 11142 1 74 . 1 1 11 11 MET N N 15 118.397 0.300 . 1 . . . . 11 MET N . 11142 1 75 . 1 1 12 12 LEU H H 1 8.440 0.030 . 1 . . . . 12 LEU H . 11142 1 76 . 1 1 12 12 LEU HA H 1 4.373 0.030 . 1 . . . . 12 LEU HA . 11142 1 77 . 1 1 12 12 LEU HB2 H 1 1.849 0.030 . 1 . . . . 12 LEU HB2 . 11142 1 78 . 1 1 12 12 LEU HB3 H 1 1.849 0.030 . 1 . . . . 12 LEU HB3 . 11142 1 79 . 1 1 12 12 LEU HD11 H 1 0.241 0.030 . 1 . . . . 12 LEU HD1 . 11142 1 80 . 1 1 12 12 LEU HD12 H 1 0.241 0.030 . 1 . . . . 12 LEU HD1 . 11142 1 81 . 1 1 12 12 LEU HD13 H 1 0.241 0.030 . 1 . . . . 12 LEU HD1 . 11142 1 82 . 1 1 12 12 LEU HD21 H 1 0.480 0.030 . 1 . . . . 12 LEU HD2 . 11142 1 83 . 1 1 12 12 LEU HD22 H 1 0.480 0.030 . 1 . . . . 12 LEU HD2 . 11142 1 84 . 1 1 12 12 LEU HD23 H 1 0.480 0.030 . 1 . . . . 12 LEU HD2 . 11142 1 85 . 1 1 12 12 LEU HG H 1 1.677 0.030 . 1 . . . . 12 LEU HG . 11142 1 86 . 1 1 12 12 LEU C C 13 177.377 0.300 . 1 . . . . 12 LEU C . 11142 1 87 . 1 1 12 12 LEU CA C 13 55.344 0.300 . 1 . . . . 12 LEU CA . 11142 1 88 . 1 1 12 12 LEU CB C 13 39.699 0.300 . 1 . . . . 12 LEU CB . 11142 1 89 . 1 1 12 12 LEU CD1 C 13 22.238 0.300 . 2 . . . . 12 LEU CD1 . 11142 1 90 . 1 1 12 12 LEU CD2 C 13 22.079 0.300 . 2 . . . . 12 LEU CD2 . 11142 1 91 . 1 1 12 12 LEU CG C 13 25.030 0.300 . 1 . . . . 12 LEU CG . 11142 1 92 . 1 1 12 12 LEU N N 15 120.960 0.300 . 1 . . . . 12 LEU N . 11142 1 93 . 1 1 13 13 LEU H H 1 8.547 0.030 . 1 . . . . 13 LEU H . 11142 1 94 . 1 1 13 13 LEU HA H 1 3.904 0.030 . 1 . . . . 13 LEU HA . 11142 1 95 . 1 1 13 13 LEU HB2 H 1 1.763 0.030 . 2 . . . . 13 LEU HB2 . 11142 1 96 . 1 1 13 13 LEU HB3 H 1 1.477 0.030 . 2 . . . . 13 LEU HB3 . 11142 1 97 . 1 1 13 13 LEU HD11 H 1 -0.008 0.030 . 1 . . . . 13 LEU HD1 . 11142 1 98 . 1 1 13 13 LEU HD12 H 1 -0.008 0.030 . 1 . . . . 13 LEU HD1 . 11142 1 99 . 1 1 13 13 LEU HD13 H 1 -0.008 0.030 . 1 . . . . 13 LEU HD1 . 11142 1 100 . 1 1 13 13 LEU HD21 H 1 0.376 0.030 . 1 . . . . 13 LEU HD2 . 11142 1 101 . 1 1 13 13 LEU HD22 H 1 0.376 0.030 . 1 . . . . 13 LEU HD2 . 11142 1 102 . 1 1 13 13 LEU HD23 H 1 0.376 0.030 . 1 . . . . 13 LEU HD2 . 11142 1 103 . 1 1 13 13 LEU HG H 1 1.145 0.030 . 1 . . . . 13 LEU HG . 11142 1 104 . 1 1 13 13 LEU C C 13 176.593 0.300 . 1 . . . . 13 LEU C . 11142 1 105 . 1 1 13 13 LEU CA C 13 56.769 0.300 . 1 . . . . 13 LEU CA . 11142 1 106 . 1 1 13 13 LEU CB C 13 38.830 0.300 . 1 . . . . 13 LEU CB . 11142 1 107 . 1 1 13 13 LEU CD1 C 13 20.466 0.300 . 2 . . . . 13 LEU CD1 . 11142 1 108 . 1 1 13 13 LEU CD2 C 13 22.778 0.300 . 2 . . . . 13 LEU CD2 . 11142 1 109 . 1 1 13 13 LEU CG C 13 24.297 0.300 . 1 . . . . 13 LEU CG . 11142 1 110 . 1 1 13 13 LEU N N 15 124.311 0.300 . 1 . . . . 13 LEU N . 11142 1 111 . 1 1 14 14 ASP H H 1 8.536 0.030 . 1 . . . . 14 ASP H . 11142 1 112 . 1 1 14 14 ASP HA H 1 4.333 0.030 . 1 . . . . 14 ASP HA . 11142 1 113 . 1 1 14 14 ASP HB2 H 1 2.620 0.030 . 2 . . . . 14 ASP HB2 . 11142 1 114 . 1 1 14 14 ASP HB3 H 1 2.837 0.030 . 2 . . . . 14 ASP HB3 . 11142 1 115 . 1 1 14 14 ASP C C 13 177.098 0.300 . 1 . . . . 14 ASP C . 11142 1 116 . 1 1 14 14 ASP CA C 13 55.394 0.300 . 1 . . . . 14 ASP CA . 11142 1 117 . 1 1 14 14 ASP CB C 13 37.719 0.300 . 1 . . . . 14 ASP CB . 11142 1 118 . 1 1 14 14 ASP N N 15 118.417 0.300 . 1 . . . . 14 ASP N . 11142 1 119 . 1 1 15 15 TRP H H 1 8.546 0.030 . 1 . . . . 15 TRP H . 11142 1 120 . 1 1 15 15 TRP HA H 1 4.413 0.030 . 1 . . . . 15 TRP HA . 11142 1 121 . 1 1 15 15 TRP HB2 H 1 3.858 0.030 . 2 . . . . 15 TRP HB2 . 11142 1 122 . 1 1 15 15 TRP HB3 H 1 3.401 0.030 . 2 . . . . 15 TRP HB3 . 11142 1 123 . 1 1 15 15 TRP HD1 H 1 7.474 0.030 . 1 . . . . 15 TRP HD1 . 11142 1 124 . 1 1 15 15 TRP HE1 H 1 10.087 0.030 . 1 . . . . 15 TRP HE1 . 11142 1 125 . 1 1 15 15 TRP HE3 H 1 8.041 0.030 . 1 . . . . 15 TRP HE3 . 11142 1 126 . 1 1 15 15 TRP HH2 H 1 6.968 0.030 . 1 . . . . 15 TRP HH2 . 11142 1 127 . 1 1 15 15 TRP HZ2 H 1 7.159 0.030 . 1 . . . . 15 TRP HZ2 . 11142 1 128 . 1 1 15 15 TRP HZ3 H 1 7.228 0.030 . 1 . . . . 15 TRP HZ3 . 11142 1 129 . 1 1 15 15 TRP C C 13 174.998 0.300 . 1 . . . . 15 TRP C . 11142 1 130 . 1 1 15 15 TRP CA C 13 60.031 0.300 . 1 . . . . 15 TRP CA . 11142 1 131 . 1 1 15 15 TRP CB C 13 26.024 0.300 . 1 . . . . 15 TRP CB . 11142 1 132 . 1 1 15 15 TRP CD1 C 13 124.744 0.300 . 1 . . . . 15 TRP CD1 . 11142 1 133 . 1 1 15 15 TRP CE3 C 13 120.201 0.300 . 1 . . . . 15 TRP CE3 . 11142 1 134 . 1 1 15 15 TRP CH2 C 13 120.804 0.300 . 1 . . . . 15 TRP CH2 . 11142 1 135 . 1 1 15 15 TRP CZ2 C 13 112.185 0.300 . 1 . . . . 15 TRP CZ2 . 11142 1 136 . 1 1 15 15 TRP CZ3 C 13 119.431 0.300 . 1 . . . . 15 TRP CZ3 . 11142 1 137 . 1 1 15 15 TRP N N 15 124.672 0.300 . 1 . . . . 15 TRP N . 11142 1 138 . 1 1 15 15 TRP NE1 N 15 128.483 0.300 . 1 . . . . 15 TRP NE1 . 11142 1 139 . 1 1 16 16 CYS H H 1 8.893 0.030 . 1 . . . . 16 CYS H . 11142 1 140 . 1 1 16 16 CYS HA H 1 3.696 0.030 . 1 . . . . 16 CYS HA . 11142 1 141 . 1 1 16 16 CYS HB2 H 1 3.610 0.030 . 2 . . . . 16 CYS HB2 . 11142 1 142 . 1 1 16 16 CYS HB3 H 1 2.782 0.030 . 2 . . . . 16 CYS HB3 . 11142 1 143 . 1 1 16 16 CYS C C 13 175.914 0.300 . 1 . . . . 16 CYS C . 11142 1 144 . 1 1 16 16 CYS CA C 13 62.234 0.300 . 1 . . . . 16 CYS CA . 11142 1 145 . 1 1 16 16 CYS CB C 13 25.020 0.300 . 1 . . . . 16 CYS CB . 11142 1 146 . 1 1 16 16 CYS N N 15 116.925 0.300 . 1 . . . . 16 CYS N . 11142 1 147 . 1 1 17 17 ARG H H 1 8.260 0.030 . 1 . . . . 17 ARG H . 11142 1 148 . 1 1 17 17 ARG HA H 1 3.572 0.030 . 1 . . . . 17 ARG HA . 11142 1 149 . 1 1 17 17 ARG HB2 H 1 1.787 0.030 . 1 . . . . 17 ARG HB2 . 11142 1 150 . 1 1 17 17 ARG HB3 H 1 1.787 0.030 . 1 . . . . 17 ARG HB3 . 11142 1 151 . 1 1 17 17 ARG HD2 H 1 3.042 0.030 . 2 . . . . 17 ARG HD2 . 11142 1 152 . 1 1 17 17 ARG HD3 H 1 3.218 0.030 . 2 . . . . 17 ARG HD3 . 11142 1 153 . 1 1 17 17 ARG HG2 H 1 1.654 0.030 . 1 . . . . 17 ARG HG2 . 11142 1 154 . 1 1 17 17 ARG HG3 H 1 1.654 0.030 . 1 . . . . 17 ARG HG3 . 11142 1 155 . 1 1 17 17 ARG C C 13 175.590 0.300 . 1 . . . . 17 ARG C . 11142 1 156 . 1 1 17 17 ARG CA C 13 57.665 0.300 . 1 . . . . 17 ARG CA . 11142 1 157 . 1 1 17 17 ARG CB C 13 28.087 0.300 . 1 . . . . 17 ARG CB . 11142 1 158 . 1 1 17 17 ARG CD C 13 41.178 0.300 . 1 . . . . 17 ARG CD . 11142 1 159 . 1 1 17 17 ARG CG C 13 26.011 0.300 . 1 . . . . 17 ARG CG . 11142 1 160 . 1 1 17 17 ARG N N 15 118.970 0.300 . 1 . . . . 17 ARG N . 11142 1 161 . 1 1 18 18 ALA H H 1 8.098 0.030 . 1 . . . . 18 ALA H . 11142 1 162 . 1 1 18 18 ALA HA H 1 3.948 0.030 . 1 . . . . 18 ALA HA . 11142 1 163 . 1 1 18 18 ALA HB1 H 1 1.436 0.030 . 1 . . . . 18 ALA HB . 11142 1 164 . 1 1 18 18 ALA HB2 H 1 1.436 0.030 . 1 . . . . 18 ALA HB . 11142 1 165 . 1 1 18 18 ALA HB3 H 1 1.436 0.030 . 1 . . . . 18 ALA HB . 11142 1 166 . 1 1 18 18 ALA C C 13 178.658 0.300 . 1 . . . . 18 ALA C . 11142 1 167 . 1 1 18 18 ALA CA C 13 52.785 0.300 . 1 . . . . 18 ALA CA . 11142 1 168 . 1 1 18 18 ALA CB C 13 15.862 0.300 . 1 . . . . 18 ALA CB . 11142 1 169 . 1 1 18 18 ALA N N 15 121.122 0.300 . 1 . . . . 18 ALA N . 11142 1 170 . 1 1 19 19 LYS H H 1 8.084 0.030 . 1 . . . . 19 LYS H . 11142 1 171 . 1 1 19 19 LYS HA H 1 3.857 0.030 . 1 . . . . 19 LYS HA . 11142 1 172 . 1 1 19 19 LYS HB2 H 1 1.447 0.030 . 2 . . . . 19 LYS HB2 . 11142 1 173 . 1 1 19 19 LYS HB3 H 1 1.138 0.030 . 2 . . . . 19 LYS HB3 . 11142 1 174 . 1 1 19 19 LYS HD2 H 1 1.230 0.030 . 2 . . . . 19 LYS HD2 . 11142 1 175 . 1 1 19 19 LYS HD3 H 1 1.396 0.030 . 2 . . . . 19 LYS HD3 . 11142 1 176 . 1 1 19 19 LYS HE2 H 1 2.558 0.030 . 2 . . . . 19 LYS HE2 . 11142 1 177 . 1 1 19 19 LYS HE3 H 1 2.844 0.030 . 2 . . . . 19 LYS HE3 . 11142 1 178 . 1 1 19 19 LYS HG2 H 1 0.429 0.030 . 2 . . . . 19 LYS HG2 . 11142 1 179 . 1 1 19 19 LYS HG3 H 1 0.781 0.030 . 2 . . . . 19 LYS HG3 . 11142 1 180 . 1 1 19 19 LYS C C 13 173.229 0.300 . 1 . . . . 19 LYS C . 11142 1 181 . 1 1 19 19 LYS CA C 13 52.962 0.300 . 1 . . . . 19 LYS CA . 11142 1 182 . 1 1 19 19 LYS CB C 13 28.853 0.300 . 1 . . . . 19 LYS CB . 11142 1 183 . 1 1 19 19 LYS CD C 13 24.708 0.300 . 1 . . . . 19 LYS CD . 11142 1 184 . 1 1 19 19 LYS CE C 13 40.612 0.300 . 1 . . . . 19 LYS CE . 11142 1 185 . 1 1 19 19 LYS CG C 13 19.269 0.300 . 1 . . . . 19 LYS CG . 11142 1 186 . 1 1 19 19 LYS N N 15 113.613 0.300 . 1 . . . . 19 LYS N . 11142 1 187 . 1 1 20 20 THR H H 1 6.837 0.030 . 1 . . . . 20 THR H . 11142 1 188 . 1 1 20 20 THR HA H 1 4.104 0.030 . 1 . . . . 20 THR HA . 11142 1 189 . 1 1 20 20 THR HB H 1 4.122 0.030 . 1 . . . . 20 THR HB . 11142 1 190 . 1 1 20 20 THR HG21 H 1 0.761 0.030 . 1 . . . . 20 THR HG2 . 11142 1 191 . 1 1 20 20 THR HG22 H 1 0.761 0.030 . 1 . . . . 20 THR HG2 . 11142 1 192 . 1 1 20 20 THR HG23 H 1 0.761 0.030 . 1 . . . . 20 THR HG2 . 11142 1 193 . 1 1 20 20 THR C C 13 172.303 0.300 . 1 . . . . 20 THR C . 11142 1 194 . 1 1 20 20 THR CA C 13 58.367 0.300 . 1 . . . . 20 THR CA . 11142 1 195 . 1 1 20 20 THR CB C 13 67.202 0.300 . 1 . . . . 20 THR CB . 11142 1 196 . 1 1 20 20 THR CG2 C 13 18.665 0.300 . 1 . . . . 20 THR CG2 . 11142 1 197 . 1 1 20 20 THR N N 15 101.529 0.300 . 1 . . . . 20 THR N . 11142 1 198 . 1 1 21 21 ARG H H 1 6.828 0.030 . 1 . . . . 21 ARG H . 11142 1 199 . 1 1 21 21 ARG HA H 1 3.955 0.030 . 1 . . . . 21 ARG HA . 11142 1 200 . 1 1 21 21 ARG HB2 H 1 1.792 0.030 . 2 . . . . 21 ARG HB2 . 11142 1 201 . 1 1 21 21 ARG HB3 H 1 1.647 0.030 . 2 . . . . 21 ARG HB3 . 11142 1 202 . 1 1 21 21 ARG HD2 H 1 3.095 0.030 . 1 . . . . 21 ARG HD2 . 11142 1 203 . 1 1 21 21 ARG HD3 H 1 3.095 0.030 . 1 . . . . 21 ARG HD3 . 11142 1 204 . 1 1 21 21 ARG HG2 H 1 1.646 0.030 . 2 . . . . 21 ARG HG2 . 11142 1 205 . 1 1 21 21 ARG HG3 H 1 1.554 0.030 . 2 . . . . 21 ARG HG3 . 11142 1 206 . 1 1 21 21 ARG C C 13 175.165 0.300 . 1 . . . . 21 ARG C . 11142 1 207 . 1 1 21 21 ARG CA C 13 55.855 0.300 . 1 . . . . 21 ARG CA . 11142 1 208 . 1 1 21 21 ARG CB C 13 27.759 0.300 . 1 . . . . 21 ARG CB . 11142 1 209 . 1 1 21 21 ARG CD C 13 41.069 0.300 . 1 . . . . 21 ARG CD . 11142 1 210 . 1 1 21 21 ARG CG C 13 24.279 0.300 . 1 . . . . 21 ARG CG . 11142 1 211 . 1 1 21 21 ARG N N 15 123.805 0.300 . 1 . . . . 21 ARG N . 11142 1 212 . 1 1 22 22 GLY H H 1 8.821 0.030 . 1 . . . . 22 GLY H . 11142 1 213 . 1 1 22 22 GLY HA2 H 1 3.486 0.030 . 2 . . . . 22 GLY HA2 . 11142 1 214 . 1 1 22 22 GLY HA3 H 1 3.876 0.030 . 2 . . . . 22 GLY HA3 . 11142 1 215 . 1 1 22 22 GLY C C 13 171.789 0.300 . 1 . . . . 22 GLY C . 11142 1 216 . 1 1 22 22 GLY CA C 13 42.701 0.300 . 1 . . . . 22 GLY CA . 11142 1 217 . 1 1 22 22 GLY N N 15 112.202 0.300 . 1 . . . . 22 GLY N . 11142 1 218 . 1 1 23 23 TYR H H 1 7.561 0.030 . 1 . . . . 23 TYR H . 11142 1 219 . 1 1 23 23 TYR HA H 1 3.896 0.030 . 1 . . . . 23 TYR HA . 11142 1 220 . 1 1 23 23 TYR HB2 H 1 2.704 0.030 . 2 . . . . 23 TYR HB2 . 11142 1 221 . 1 1 23 23 TYR HB3 H 1 2.269 0.030 . 2 . . . . 23 TYR HB3 . 11142 1 222 . 1 1 23 23 TYR HD1 H 1 5.719 0.030 . 1 . . . . 23 TYR HD1 . 11142 1 223 . 1 1 23 23 TYR HD2 H 1 5.719 0.030 . 1 . . . . 23 TYR HD2 . 11142 1 224 . 1 1 23 23 TYR HE1 H 1 6.272 0.030 . 1 . . . . 23 TYR HE1 . 11142 1 225 . 1 1 23 23 TYR HE2 H 1 6.272 0.030 . 1 . . . . 23 TYR HE2 . 11142 1 226 . 1 1 23 23 TYR C C 13 173.901 0.300 . 1 . . . . 23 TYR C . 11142 1 227 . 1 1 23 23 TYR CA C 13 56.675 0.300 . 1 . . . . 23 TYR CA . 11142 1 228 . 1 1 23 23 TYR CB C 13 35.495 0.300 . 1 . . . . 23 TYR CB . 11142 1 229 . 1 1 23 23 TYR CD1 C 13 129.909 0.300 . 1 . . . . 23 TYR CD1 . 11142 1 230 . 1 1 23 23 TYR CD2 C 13 129.909 0.300 . 1 . . . . 23 TYR CD2 . 11142 1 231 . 1 1 23 23 TYR CE1 C 13 115.431 0.300 . 1 . . . . 23 TYR CE1 . 11142 1 232 . 1 1 23 23 TYR CE2 C 13 115.431 0.300 . 1 . . . . 23 TYR CE2 . 11142 1 233 . 1 1 23 23 TYR N N 15 119.844 0.300 . 1 . . . . 23 TYR N . 11142 1 234 . 1 1 24 24 GLU H H 1 8.765 0.030 . 1 . . . . 24 GLU H . 11142 1 235 . 1 1 24 24 GLU HA H 1 3.788 0.030 . 1 . . . . 24 GLU HA . 11142 1 236 . 1 1 24 24 GLU HB2 H 1 1.385 0.030 . 2 . . . . 24 GLU HB2 . 11142 1 237 . 1 1 24 24 GLU HB3 H 1 1.716 0.030 . 2 . . . . 24 GLU HB3 . 11142 1 238 . 1 1 24 24 GLU HG2 H 1 1.864 0.030 . 2 . . . . 24 GLU HG2 . 11142 1 239 . 1 1 24 24 GLU HG3 H 1 1.577 0.030 . 2 . . . . 24 GLU HG3 . 11142 1 240 . 1 1 24 24 GLU C C 13 173.566 0.300 . 1 . . . . 24 GLU C . 11142 1 241 . 1 1 24 24 GLU CA C 13 54.721 0.300 . 1 . . . . 24 GLU CA . 11142 1 242 . 1 1 24 24 GLU CB C 13 27.949 0.300 . 1 . . . . 24 GLU CB . 11142 1 243 . 1 1 24 24 GLU CG C 13 33.670 0.300 . 1 . . . . 24 GLU CG . 11142 1 244 . 1 1 24 24 GLU N N 15 125.280 0.300 . 1 . . . . 24 GLU N . 11142 1 245 . 1 1 25 25 HIS H H 1 8.552 0.030 . 1 . . . . 25 HIS H . 11142 1 246 . 1 1 25 25 HIS HA H 1 4.113 0.030 . 1 . . . . 25 HIS HA . 11142 1 247 . 1 1 25 25 HIS HB2 H 1 3.123 0.030 . 2 . . . . 25 HIS HB2 . 11142 1 248 . 1 1 25 25 HIS HB3 H 1 3.520 0.030 . 2 . . . . 25 HIS HB3 . 11142 1 249 . 1 1 25 25 HIS HD2 H 1 6.755 0.030 . 1 . . . . 25 HIS HD2 . 11142 1 250 . 1 1 25 25 HIS HE1 H 1 7.782 0.030 . 1 . . . . 25 HIS HE1 . 11142 1 251 . 1 1 25 25 HIS C C 13 171.809 0.300 . 1 . . . . 25 HIS C . 11142 1 252 . 1 1 25 25 HIS CA C 13 55.704 0.300 . 1 . . . . 25 HIS CA . 11142 1 253 . 1 1 25 25 HIS CB C 13 26.578 0.300 . 1 . . . . 25 HIS CB . 11142 1 254 . 1 1 25 25 HIS CD2 C 13 117.597 0.300 . 1 . . . . 25 HIS CD2 . 11142 1 255 . 1 1 25 25 HIS CE1 C 13 136.450 0.300 . 1 . . . . 25 HIS CE1 . 11142 1 256 . 1 1 25 25 HIS N N 15 112.675 0.300 . 1 . . . . 25 HIS N . 11142 1 257 . 1 1 26 26 VAL H H 1 7.013 0.030 . 1 . . . . 26 VAL H . 11142 1 258 . 1 1 26 26 VAL HA H 1 3.891 0.030 . 1 . . . . 26 VAL HA . 11142 1 259 . 1 1 26 26 VAL HB H 1 1.626 0.030 . 1 . . . . 26 VAL HB . 11142 1 260 . 1 1 26 26 VAL HG11 H 1 0.567 0.030 . 1 . . . . 26 VAL HG1 . 11142 1 261 . 1 1 26 26 VAL HG12 H 1 0.567 0.030 . 1 . . . . 26 VAL HG1 . 11142 1 262 . 1 1 26 26 VAL HG13 H 1 0.567 0.030 . 1 . . . . 26 VAL HG1 . 11142 1 263 . 1 1 26 26 VAL HG21 H 1 0.583 0.030 . 1 . . . . 26 VAL HG2 . 11142 1 264 . 1 1 26 26 VAL HG22 H 1 0.583 0.030 . 1 . . . . 26 VAL HG2 . 11142 1 265 . 1 1 26 26 VAL HG23 H 1 0.583 0.030 . 1 . . . . 26 VAL HG2 . 11142 1 266 . 1 1 26 26 VAL C C 13 172.615 0.300 . 1 . . . . 26 VAL C . 11142 1 267 . 1 1 26 26 VAL CA C 13 59.615 0.300 . 1 . . . . 26 VAL CA . 11142 1 268 . 1 1 26 26 VAL CB C 13 31.711 0.300 . 1 . . . . 26 VAL CB . 11142 1 269 . 1 1 26 26 VAL CG1 C 13 19.347 0.300 . 2 . . . . 26 VAL CG1 . 11142 1 270 . 1 1 26 26 VAL CG2 C 13 20.300 0.300 . 2 . . . . 26 VAL CG2 . 11142 1 271 . 1 1 26 26 VAL N N 15 117.586 0.300 . 1 . . . . 26 VAL N . 11142 1 272 . 1 1 27 27 ASP H H 1 8.783 0.030 . 1 . . . . 27 ASP H . 11142 1 273 . 1 1 27 27 ASP HA H 1 4.428 0.030 . 1 . . . . 27 ASP HA . 11142 1 274 . 1 1 27 27 ASP HB2 H 1 2.404 0.030 . 2 . . . . 27 ASP HB2 . 11142 1 275 . 1 1 27 27 ASP HB3 H 1 2.476 0.030 . 2 . . . . 27 ASP HB3 . 11142 1 276 . 1 1 27 27 ASP C C 13 172.286 0.300 . 1 . . . . 27 ASP C . 11142 1 277 . 1 1 27 27 ASP CA C 13 51.587 0.300 . 1 . . . . 27 ASP CA . 11142 1 278 . 1 1 27 27 ASP CB C 13 38.948 0.300 . 1 . . . . 27 ASP CB . 11142 1 279 . 1 1 27 27 ASP N N 15 127.772 0.300 . 1 . . . . 27 ASP N . 11142 1 280 . 1 1 28 28 ILE H H 1 8.982 0.030 . 1 . . . . 28 ILE H . 11142 1 281 . 1 1 28 28 ILE HA H 1 3.389 0.030 . 1 . . . . 28 ILE HA . 11142 1 282 . 1 1 28 28 ILE HB H 1 1.432 0.030 . 1 . . . . 28 ILE HB . 11142 1 283 . 1 1 28 28 ILE HD11 H 1 0.181 0.030 . 1 . . . . 28 ILE HD1 . 11142 1 284 . 1 1 28 28 ILE HD12 H 1 0.181 0.030 . 1 . . . . 28 ILE HD1 . 11142 1 285 . 1 1 28 28 ILE HD13 H 1 0.181 0.030 . 1 . . . . 28 ILE HD1 . 11142 1 286 . 1 1 28 28 ILE HG12 H 1 -0.062 0.030 . 2 . . . . 28 ILE HG12 . 11142 1 287 . 1 1 28 28 ILE HG13 H 1 0.985 0.030 . 2 . . . . 28 ILE HG13 . 11142 1 288 . 1 1 28 28 ILE HG21 H 1 0.645 0.030 . 1 . . . . 28 ILE HG2 . 11142 1 289 . 1 1 28 28 ILE HG22 H 1 0.645 0.030 . 1 . . . . 28 ILE HG2 . 11142 1 290 . 1 1 28 28 ILE HG23 H 1 0.645 0.030 . 1 . . . . 28 ILE HG2 . 11142 1 291 . 1 1 28 28 ILE C C 13 172.819 0.300 . 1 . . . . 28 ILE C . 11142 1 292 . 1 1 28 28 ILE CA C 13 60.297 0.300 . 1 . . . . 28 ILE CA . 11142 1 293 . 1 1 28 28 ILE CB C 13 35.202 0.300 . 1 . . . . 28 ILE CB . 11142 1 294 . 1 1 28 28 ILE CD1 C 13 12.244 0.300 . 1 . . . . 28 ILE CD1 . 11142 1 295 . 1 1 28 28 ILE CG1 C 13 24.857 0.300 . 1 . . . . 28 ILE CG1 . 11142 1 296 . 1 1 28 28 ILE CG2 C 13 16.051 0.300 . 1 . . . . 28 ILE CG2 . 11142 1 297 . 1 1 28 28 ILE N N 15 124.675 0.300 . 1 . . . . 28 ILE N . 11142 1 298 . 1 1 29 29 GLN H H 1 8.516 0.030 . 1 . . . . 29 GLN H . 11142 1 299 . 1 1 29 29 GLN HA H 1 4.300 0.030 . 1 . . . . 29 GLN HA . 11142 1 300 . 1 1 29 29 GLN HB2 H 1 2.212 0.030 . 2 . . . . 29 GLN HB2 . 11142 1 301 . 1 1 29 29 GLN HB3 H 1 1.380 0.030 . 2 . . . . 29 GLN HB3 . 11142 1 302 . 1 1 29 29 GLN HE21 H 1 6.506 0.030 . 2 . . . . 29 GLN HE21 . 11142 1 303 . 1 1 29 29 GLN HE22 H 1 7.934 0.030 . 2 . . . . 29 GLN HE22 . 11142 1 304 . 1 1 29 29 GLN HG2 H 1 1.952 0.030 . 2 . . . . 29 GLN HG2 . 11142 1 305 . 1 1 29 29 GLN HG3 H 1 2.126 0.030 . 2 . . . . 29 GLN HG3 . 11142 1 306 . 1 1 29 29 GLN C C 13 172.233 0.300 . 1 . . . . 29 GLN C . 11142 1 307 . 1 1 29 29 GLN CA C 13 52.327 0.300 . 1 . . . . 29 GLN CA . 11142 1 308 . 1 1 29 29 GLN CB C 13 28.873 0.300 . 1 . . . . 29 GLN CB . 11142 1 309 . 1 1 29 29 GLN CG C 13 29.865 0.300 . 1 . . . . 29 GLN CG . 11142 1 310 . 1 1 29 29 GLN N N 15 124.757 0.300 . 1 . . . . 29 GLN N . 11142 1 311 . 1 1 29 29 GLN NE2 N 15 113.580 0.300 . 1 . . . . 29 GLN NE2 . 11142 1 312 . 1 1 30 30 ASN H H 1 7.664 0.030 . 1 . . . . 30 ASN H . 11142 1 313 . 1 1 30 30 ASN HA H 1 4.343 0.030 . 1 . . . . 30 ASN HA . 11142 1 314 . 1 1 30 30 ASN HB2 H 1 3.105 0.030 . 1 . . . . 30 ASN HB2 . 11142 1 315 . 1 1 30 30 ASN HB3 H 1 3.105 0.030 . 1 . . . . 30 ASN HB3 . 11142 1 316 . 1 1 30 30 ASN HD21 H 1 6.925 0.030 . 2 . . . . 30 ASN HD21 . 11142 1 317 . 1 1 30 30 ASN HD22 H 1 7.875 0.030 . 2 . . . . 30 ASN HD22 . 11142 1 318 . 1 1 30 30 ASN C C 13 171.691 0.300 . 1 . . . . 30 ASN C . 11142 1 319 . 1 1 30 30 ASN CA C 13 49.788 0.300 . 1 . . . . 30 ASN CA . 11142 1 320 . 1 1 30 30 ASN CB C 13 37.060 0.300 . 1 . . . . 30 ASN CB . 11142 1 321 . 1 1 30 30 ASN N N 15 113.954 0.300 . 1 . . . . 30 ASN N . 11142 1 322 . 1 1 30 30 ASN ND2 N 15 117.227 0.300 . 1 . . . . 30 ASN ND2 . 11142 1 323 . 1 1 31 31 PHE H H 1 9.039 0.030 . 1 . . . . 31 PHE H . 11142 1 324 . 1 1 31 31 PHE HA H 1 5.248 0.030 . 1 . . . . 31 PHE HA . 11142 1 325 . 1 1 31 31 PHE HB2 H 1 2.942 0.030 . 2 . . . . 31 PHE HB2 . 11142 1 326 . 1 1 31 31 PHE HB3 H 1 4.172 0.030 . 2 . . . . 31 PHE HB3 . 11142 1 327 . 1 1 31 31 PHE HD1 H 1 7.005 0.030 . 1 . . . . 31 PHE HD1 . 11142 1 328 . 1 1 31 31 PHE HD2 H 1 7.005 0.030 . 1 . . . . 31 PHE HD2 . 11142 1 329 . 1 1 31 31 PHE HE1 H 1 7.405 0.030 . 1 . . . . 31 PHE HE1 . 11142 1 330 . 1 1 31 31 PHE HE2 H 1 7.405 0.030 . 1 . . . . 31 PHE HE2 . 11142 1 331 . 1 1 31 31 PHE HZ H 1 7.147 0.030 . 1 . . . . 31 PHE HZ . 11142 1 332 . 1 1 31 31 PHE C C 13 170.183 0.300 . 1 . . . . 31 PHE C . 11142 1 333 . 1 1 31 31 PHE CA C 13 57.207 0.300 . 1 . . . . 31 PHE CA . 11142 1 334 . 1 1 31 31 PHE CB C 13 37.177 0.300 . 1 . . . . 31 PHE CB . 11142 1 335 . 1 1 31 31 PHE CD1 C 13 128.728 0.300 . 1 . . . . 31 PHE CD1 . 11142 1 336 . 1 1 31 31 PHE CD2 C 13 128.728 0.300 . 1 . . . . 31 PHE CD2 . 11142 1 337 . 1 1 31 31 PHE CE1 C 13 129.662 0.300 . 1 . . . . 31 PHE CE1 . 11142 1 338 . 1 1 31 31 PHE CE2 C 13 129.662 0.300 . 1 . . . . 31 PHE CE2 . 11142 1 339 . 1 1 31 31 PHE CZ C 13 126.527 0.300 . 1 . . . . 31 PHE CZ . 11142 1 340 . 1 1 31 31 PHE N N 15 116.023 0.300 . 1 . . . . 31 PHE N . 11142 1 341 . 1 1 32 32 SER H H 1 9.086 0.030 . 1 . . . . 32 SER H . 11142 1 342 . 1 1 32 32 SER HA H 1 4.870 0.030 . 1 . . . . 32 SER HA . 11142 1 343 . 1 1 32 32 SER HB2 H 1 3.775 0.030 . 2 . . . . 32 SER HB2 . 11142 1 344 . 1 1 32 32 SER HB3 H 1 4.030 0.030 . 2 . . . . 32 SER HB3 . 11142 1 345 . 1 1 32 32 SER C C 13 173.667 0.300 . 1 . . . . 32 SER C . 11142 1 346 . 1 1 32 32 SER CA C 13 55.218 0.300 . 1 . . . . 32 SER CA . 11142 1 347 . 1 1 32 32 SER CB C 13 61.614 0.300 . 1 . . . . 32 SER CB . 11142 1 348 . 1 1 32 32 SER N N 15 110.584 0.300 . 1 . . . . 32 SER N . 11142 1 349 . 1 1 33 33 SER H H 1 8.762 0.030 . 1 . . . . 33 SER H . 11142 1 350 . 1 1 33 33 SER HA H 1 4.301 0.030 . 1 . . . . 33 SER HA . 11142 1 351 . 1 1 33 33 SER HB2 H 1 4.119 0.030 . 1 . . . . 33 SER HB2 . 11142 1 352 . 1 1 33 33 SER HB3 H 1 4.119 0.030 . 1 . . . . 33 SER HB3 . 11142 1 353 . 1 1 33 33 SER C C 13 175.304 0.300 . 1 . . . . 33 SER C . 11142 1 354 . 1 1 33 33 SER CA C 13 59.801 0.300 . 1 . . . . 33 SER CA . 11142 1 355 . 1 1 33 33 SER CB C 13 60.291 0.300 . 1 . . . . 33 SER CB . 11142 1 356 . 1 1 33 33 SER N N 15 122.107 0.300 . 1 . . . . 33 SER N . 11142 1 357 . 1 1 34 34 SER H H 1 9.536 0.030 . 1 . . . . 34 SER H . 11142 1 358 . 1 1 34 34 SER HA H 1 4.428 0.030 . 1 . . . . 34 SER HA . 11142 1 359 . 1 1 34 34 SER HB2 H 1 3.518 0.030 . 2 . . . . 34 SER HB2 . 11142 1 360 . 1 1 34 34 SER HB3 H 1 3.696 0.030 . 2 . . . . 34 SER HB3 . 11142 1 361 . 1 1 34 34 SER C C 13 171.119 0.300 . 1 . . . . 34 SER C . 11142 1 362 . 1 1 34 34 SER CA C 13 58.997 0.300 . 1 . . . . 34 SER CA . 11142 1 363 . 1 1 34 34 SER CB C 13 61.411 0.300 . 1 . . . . 34 SER CB . 11142 1 364 . 1 1 34 34 SER N N 15 119.076 0.300 . 1 . . . . 34 SER N . 11142 1 365 . 1 1 35 35 TRP H H 1 8.349 0.030 . 1 . . . . 35 TRP H . 11142 1 366 . 1 1 35 35 TRP HA H 1 4.352 0.030 . 1 . . . . 35 TRP HA . 11142 1 367 . 1 1 35 35 TRP HB2 H 1 2.820 0.030 . 2 . . . . 35 TRP HB2 . 11142 1 368 . 1 1 35 35 TRP HB3 H 1 3.429 0.030 . 2 . . . . 35 TRP HB3 . 11142 1 369 . 1 1 35 35 TRP HD1 H 1 6.867 0.030 . 1 . . . . 35 TRP HD1 . 11142 1 370 . 1 1 35 35 TRP HE1 H 1 10.249 0.030 . 1 . . . . 35 TRP HE1 . 11142 1 371 . 1 1 35 35 TRP HE3 H 1 5.497 0.030 . 1 . . . . 35 TRP HE3 . 11142 1 372 . 1 1 35 35 TRP HH2 H 1 6.899 0.030 . 1 . . . . 35 TRP HH2 . 11142 1 373 . 1 1 35 35 TRP HZ2 H 1 7.100 0.030 . 1 . . . . 35 TRP HZ2 . 11142 1 374 . 1 1 35 35 TRP HZ3 H 1 6.202 0.030 . 1 . . . . 35 TRP HZ3 . 11142 1 375 . 1 1 35 35 TRP C C 13 175.232 0.300 . 1 . . . . 35 TRP C . 11142 1 376 . 1 1 35 35 TRP CA C 13 54.976 0.300 . 1 . . . . 35 TRP CA . 11142 1 377 . 1 1 35 35 TRP CB C 13 26.426 0.300 . 1 . . . . 35 TRP CB . 11142 1 378 . 1 1 35 35 TRP CD1 C 13 124.436 0.300 . 1 . . . . 35 TRP CD1 . 11142 1 379 . 1 1 35 35 TRP CE3 C 13 119.144 0.300 . 1 . . . . 35 TRP CE3 . 11142 1 380 . 1 1 35 35 TRP CH2 C 13 121.704 0.300 . 1 . . . . 35 TRP CH2 . 11142 1 381 . 1 1 35 35 TRP CZ2 C 13 110.691 0.300 . 1 . . . . 35 TRP CZ2 . 11142 1 382 . 1 1 35 35 TRP CZ3 C 13 119.041 0.300 . 1 . . . . 35 TRP CZ3 . 11142 1 383 . 1 1 35 35 TRP N N 15 119.306 0.300 . 1 . . . . 35 TRP N . 11142 1 384 . 1 1 35 35 TRP NE1 N 15 128.379 0.300 . 1 . . . . 35 TRP NE1 . 11142 1 385 . 1 1 36 36 SER H H 1 7.570 0.030 . 1 . . . . 36 SER H . 11142 1 386 . 1 1 36 36 SER HA H 1 4.474 0.030 . 1 . . . . 36 SER HA . 11142 1 387 . 1 1 36 36 SER HB2 H 1 3.988 0.030 . 2 . . . . 36 SER HB2 . 11142 1 388 . 1 1 36 36 SER HB3 H 1 4.317 0.030 . 2 . . . . 36 SER HB3 . 11142 1 389 . 1 1 36 36 SER C C 13 172.569 0.300 . 1 . . . . 36 SER C . 11142 1 390 . 1 1 36 36 SER CA C 13 59.741 0.300 . 1 . . . . 36 SER CA . 11142 1 391 . 1 1 36 36 SER CB C 13 62.586 0.300 . 1 . . . . 36 SER CB . 11142 1 392 . 1 1 36 36 SER N N 15 114.660 0.300 . 1 . . . . 36 SER N . 11142 1 393 . 1 1 37 37 ASP H H 1 7.855 0.030 . 1 . . . . 37 ASP H . 11142 1 394 . 1 1 37 37 ASP HA H 1 4.577 0.030 . 1 . . . . 37 ASP HA . 11142 1 395 . 1 1 37 37 ASP HB2 H 1 2.459 0.030 . 2 . . . . 37 ASP HB2 . 11142 1 396 . 1 1 37 37 ASP HB3 H 1 3.398 0.030 . 2 . . . . 37 ASP HB3 . 11142 1 397 . 1 1 37 37 ASP C C 13 172.954 0.300 . 1 . . . . 37 ASP C . 11142 1 398 . 1 1 37 37 ASP CA C 13 50.881 0.300 . 1 . . . . 37 ASP CA . 11142 1 399 . 1 1 37 37 ASP CB C 13 38.004 0.300 . 1 . . . . 37 ASP CB . 11142 1 400 . 1 1 37 37 ASP N N 15 117.247 0.300 . 1 . . . . 37 ASP N . 11142 1 401 . 1 1 38 38 GLY H H 1 7.046 0.030 . 1 . . . . 38 GLY H . 11142 1 402 . 1 1 38 38 GLY HA2 H 1 3.208 0.030 . 2 . . . . 38 GLY HA2 . 11142 1 403 . 1 1 38 38 GLY HA3 H 1 3.265 0.030 . 2 . . . . 38 GLY HA3 . 11142 1 404 . 1 1 38 38 GLY C C 13 172.122 0.300 . 1 . . . . 38 GLY C . 11142 1 405 . 1 1 38 38 GLY CA C 13 44.691 0.300 . 1 . . . . 38 GLY CA . 11142 1 406 . 1 1 38 38 GLY N N 15 105.275 0.300 . 1 . . . . 38 GLY N . 11142 1 407 . 1 1 39 39 MET H H 1 8.167 0.030 . 1 . . . . 39 MET H . 11142 1 408 . 1 1 39 39 MET HA H 1 4.058 0.030 . 1 . . . . 39 MET HA . 11142 1 409 . 1 1 39 39 MET HB2 H 1 1.925 0.030 . 1 . . . . 39 MET HB2 . 11142 1 410 . 1 1 39 39 MET HB3 H 1 1.925 0.030 . 1 . . . . 39 MET HB3 . 11142 1 411 . 1 1 39 39 MET HE1 H 1 1.525 0.030 . 1 . . . . 39 MET HE . 11142 1 412 . 1 1 39 39 MET HE2 H 1 1.525 0.030 . 1 . . . . 39 MET HE . 11142 1 413 . 1 1 39 39 MET HE3 H 1 1.525 0.030 . 1 . . . . 39 MET HE . 11142 1 414 . 1 1 39 39 MET HG2 H 1 2.113 0.030 . 2 . . . . 39 MET HG2 . 11142 1 415 . 1 1 39 39 MET HG3 H 1 1.889 0.030 . 2 . . . . 39 MET HG3 . 11142 1 416 . 1 1 39 39 MET C C 13 175.868 0.300 . 1 . . . . 39 MET C . 11142 1 417 . 1 1 39 39 MET CA C 13 54.513 0.300 . 1 . . . . 39 MET CA . 11142 1 418 . 1 1 39 39 MET CB C 13 26.591 0.300 . 1 . . . . 39 MET CB . 11142 1 419 . 1 1 39 39 MET CE C 13 13.378 0.300 . 1 . . . . 39 MET CE . 11142 1 420 . 1 1 39 39 MET CG C 13 30.215 0.300 . 1 . . . . 39 MET CG . 11142 1 421 . 1 1 39 39 MET N N 15 119.915 0.300 . 1 . . . . 39 MET N . 11142 1 422 . 1 1 40 40 ALA H H 1 8.752 0.030 . 1 . . . . 40 ALA H . 11142 1 423 . 1 1 40 40 ALA HA H 1 3.631 0.030 . 1 . . . . 40 ALA HA . 11142 1 424 . 1 1 40 40 ALA HB1 H 1 0.198 0.030 . 1 . . . . 40 ALA HB . 11142 1 425 . 1 1 40 40 ALA HB2 H 1 0.198 0.030 . 1 . . . . 40 ALA HB . 11142 1 426 . 1 1 40 40 ALA HB3 H 1 0.198 0.030 . 1 . . . . 40 ALA HB . 11142 1 427 . 1 1 40 40 ALA C C 13 176.805 0.300 . 1 . . . . 40 ALA C . 11142 1 428 . 1 1 40 40 ALA CA C 13 53.631 0.300 . 1 . . . . 40 ALA CA . 11142 1 429 . 1 1 40 40 ALA CB C 13 14.946 0.300 . 1 . . . . 40 ALA CB . 11142 1 430 . 1 1 40 40 ALA N N 15 120.651 0.300 . 1 . . . . 40 ALA N . 11142 1 431 . 1 1 41 41 PHE H H 1 7.915 0.030 . 1 . . . . 41 PHE H . 11142 1 432 . 1 1 41 41 PHE HA H 1 4.562 0.030 . 1 . . . . 41 PHE HA . 11142 1 433 . 1 1 41 41 PHE HB2 H 1 2.884 0.030 . 2 . . . . 41 PHE HB2 . 11142 1 434 . 1 1 41 41 PHE HB3 H 1 3.162 0.030 . 2 . . . . 41 PHE HB3 . 11142 1 435 . 1 1 41 41 PHE HD1 H 1 7.571 0.030 . 1 . . . . 41 PHE HD1 . 11142 1 436 . 1 1 41 41 PHE HD2 H 1 7.571 0.030 . 1 . . . . 41 PHE HD2 . 11142 1 437 . 1 1 41 41 PHE HE1 H 1 7.518 0.030 . 1 . . . . 41 PHE HE1 . 11142 1 438 . 1 1 41 41 PHE HE2 H 1 7.518 0.030 . 1 . . . . 41 PHE HE2 . 11142 1 439 . 1 1 41 41 PHE HZ H 1 7.127 0.030 . 1 . . . . 41 PHE HZ . 11142 1 440 . 1 1 41 41 PHE C C 13 175.519 0.300 . 1 . . . . 41 PHE C . 11142 1 441 . 1 1 41 41 PHE CA C 13 60.281 0.300 . 1 . . . . 41 PHE CA . 11142 1 442 . 1 1 41 41 PHE CB C 13 37.260 0.300 . 1 . . . . 41 PHE CB . 11142 1 443 . 1 1 41 41 PHE CD1 C 13 129.573 0.300 . 1 . . . . 41 PHE CD1 . 11142 1 444 . 1 1 41 41 PHE CD2 C 13 129.573 0.300 . 1 . . . . 41 PHE CD2 . 11142 1 445 . 1 1 41 41 PHE CE1 C 13 129.444 0.300 . 1 . . . . 41 PHE CE1 . 11142 1 446 . 1 1 41 41 PHE CE2 C 13 129.444 0.300 . 1 . . . . 41 PHE CE2 . 11142 1 447 . 1 1 41 41 PHE CZ C 13 127.855 0.300 . 1 . . . . 41 PHE CZ . 11142 1 448 . 1 1 41 41 PHE N N 15 113.651 0.300 . 1 . . . . 41 PHE N . 11142 1 449 . 1 1 42 42 CYS H H 1 7.698 0.030 . 1 . . . . 42 CYS H . 11142 1 450 . 1 1 42 42 CYS HA H 1 4.104 0.030 . 1 . . . . 42 CYS HA . 11142 1 451 . 1 1 42 42 CYS HB2 H 1 2.405 0.030 . 2 . . . . 42 CYS HB2 . 11142 1 452 . 1 1 42 42 CYS HB3 H 1 3.267 0.030 . 2 . . . . 42 CYS HB3 . 11142 1 453 . 1 1 42 42 CYS C C 13 174.102 0.300 . 1 . . . . 42 CYS C . 11142 1 454 . 1 1 42 42 CYS CA C 13 63.426 0.300 . 1 . . . . 42 CYS CA . 11142 1 455 . 1 1 42 42 CYS CB C 13 25.003 0.300 . 1 . . . . 42 CYS CB . 11142 1 456 . 1 1 42 42 CYS N N 15 115.485 0.300 . 1 . . . . 42 CYS N . 11142 1 457 . 1 1 43 43 ALA H H 1 9.122 0.030 . 1 . . . . 43 ALA H . 11142 1 458 . 1 1 43 43 ALA HA H 1 3.028 0.030 . 1 . . . . 43 ALA HA . 11142 1 459 . 1 1 43 43 ALA HB1 H 1 0.734 0.030 . 1 . . . . 43 ALA HB . 11142 1 460 . 1 1 43 43 ALA HB2 H 1 0.734 0.030 . 1 . . . . 43 ALA HB . 11142 1 461 . 1 1 43 43 ALA HB3 H 1 0.734 0.030 . 1 . . . . 43 ALA HB . 11142 1 462 . 1 1 43 43 ALA C C 13 174.616 0.300 . 1 . . . . 43 ALA C . 11142 1 463 . 1 1 43 43 ALA CA C 13 52.742 0.300 . 1 . . . . 43 ALA CA . 11142 1 464 . 1 1 43 43 ALA CB C 13 17.131 0.300 . 1 . . . . 43 ALA CB . 11142 1 465 . 1 1 43 43 ALA N N 15 123.273 0.300 . 1 . . . . 43 ALA N . 11142 1 466 . 1 1 44 44 LEU H H 1 7.837 0.030 . 1 . . . . 44 LEU H . 11142 1 467 . 1 1 44 44 LEU HA H 1 3.587 0.030 . 1 . . . . 44 LEU HA . 11142 1 468 . 1 1 44 44 LEU HB2 H 1 2.177 0.030 . 2 . . . . 44 LEU HB2 . 11142 1 469 . 1 1 44 44 LEU HB3 H 1 1.480 0.030 . 2 . . . . 44 LEU HB3 . 11142 1 470 . 1 1 44 44 LEU HD11 H 1 0.880 0.030 . 1 . . . . 44 LEU HD1 . 11142 1 471 . 1 1 44 44 LEU HD12 H 1 0.880 0.030 . 1 . . . . 44 LEU HD1 . 11142 1 472 . 1 1 44 44 LEU HD13 H 1 0.880 0.030 . 1 . . . . 44 LEU HD1 . 11142 1 473 . 1 1 44 44 LEU HD21 H 1 1.322 0.030 . 1 . . . . 44 LEU HD2 . 11142 1 474 . 1 1 44 44 LEU HD22 H 1 1.322 0.030 . 1 . . . . 44 LEU HD2 . 11142 1 475 . 1 1 44 44 LEU HD23 H 1 1.322 0.030 . 1 . . . . 44 LEU HD2 . 11142 1 476 . 1 1 44 44 LEU HG H 1 1.936 0.030 . 1 . . . . 44 LEU HG . 11142 1 477 . 1 1 44 44 LEU C C 13 175.173 0.300 . 1 . . . . 44 LEU C . 11142 1 478 . 1 1 44 44 LEU CA C 13 55.535 0.300 . 1 . . . . 44 LEU CA . 11142 1 479 . 1 1 44 44 LEU CB C 13 40.837 0.300 . 1 . . . . 44 LEU CB . 11142 1 480 . 1 1 44 44 LEU CD1 C 13 21.657 0.300 . 2 . . . . 44 LEU CD1 . 11142 1 481 . 1 1 44 44 LEU CD2 C 13 24.951 0.300 . 2 . . . . 44 LEU CD2 . 11142 1 482 . 1 1 44 44 LEU CG C 13 25.015 0.300 . 1 . . . . 44 LEU CG . 11142 1 483 . 1 1 44 44 LEU N N 15 117.328 0.300 . 1 . . . . 44 LEU N . 11142 1 484 . 1 1 45 45 VAL H H 1 7.882 0.030 . 1 . . . . 45 VAL H . 11142 1 485 . 1 1 45 45 VAL HA H 1 4.054 0.030 . 1 . . . . 45 VAL HA . 11142 1 486 . 1 1 45 45 VAL HB H 1 2.353 0.030 . 1 . . . . 45 VAL HB . 11142 1 487 . 1 1 45 45 VAL HG11 H 1 1.317 0.030 . 1 . . . . 45 VAL HG1 . 11142 1 488 . 1 1 45 45 VAL HG12 H 1 1.317 0.030 . 1 . . . . 45 VAL HG1 . 11142 1 489 . 1 1 45 45 VAL HG13 H 1 1.317 0.030 . 1 . . . . 45 VAL HG1 . 11142 1 490 . 1 1 45 45 VAL HG21 H 1 1.205 0.030 . 1 . . . . 45 VAL HG2 . 11142 1 491 . 1 1 45 45 VAL HG22 H 1 1.205 0.030 . 1 . . . . 45 VAL HG2 . 11142 1 492 . 1 1 45 45 VAL HG23 H 1 1.205 0.030 . 1 . . . . 45 VAL HG2 . 11142 1 493 . 1 1 45 45 VAL C C 13 175.901 0.300 . 1 . . . . 45 VAL C . 11142 1 494 . 1 1 45 45 VAL CA C 13 64.762 0.300 . 1 . . . . 45 VAL CA . 11142 1 495 . 1 1 45 45 VAL CB C 13 30.706 0.300 . 1 . . . . 45 VAL CB . 11142 1 496 . 1 1 45 45 VAL CG1 C 13 19.937 0.300 . 2 . . . . 45 VAL CG1 . 11142 1 497 . 1 1 45 45 VAL CG2 C 13 20.529 0.300 . 2 . . . . 45 VAL CG2 . 11142 1 498 . 1 1 45 45 VAL N N 15 113.591 0.300 . 1 . . . . 45 VAL N . 11142 1 499 . 1 1 46 46 HIS H H 1 8.927 0.030 . 1 . . . . 46 HIS H . 11142 1 500 . 1 1 46 46 HIS HA H 1 3.360 0.030 . 1 . . . . 46 HIS HA . 11142 1 501 . 1 1 46 46 HIS HB2 H 1 2.749 0.030 . 2 . . . . 46 HIS HB2 . 11142 1 502 . 1 1 46 46 HIS HB3 H 1 3.290 0.030 . 2 . . . . 46 HIS HB3 . 11142 1 503 . 1 1 46 46 HIS HD2 H 1 5.842 0.030 . 1 . . . . 46 HIS HD2 . 11142 1 504 . 1 1 46 46 HIS HE1 H 1 7.676 0.030 . 1 . . . . 46 HIS HE1 . 11142 1 505 . 1 1 46 46 HIS C C 13 173.299 0.300 . 1 . . . . 46 HIS C . 11142 1 506 . 1 1 46 46 HIS CA C 13 59.307 0.300 . 1 . . . . 46 HIS CA . 11142 1 507 . 1 1 46 46 HIS CB C 13 28.274 0.300 . 1 . . . . 46 HIS CB . 11142 1 508 . 1 1 46 46 HIS CD2 C 13 115.686 0.300 . 1 . . . . 46 HIS CD2 . 11142 1 509 . 1 1 46 46 HIS CE1 C 13 134.127 0.300 . 1 . . . . 46 HIS CE1 . 11142 1 510 . 1 1 46 46 HIS N N 15 120.990 0.300 . 1 . . . . 46 HIS N . 11142 1 511 . 1 1 47 47 ASN H H 1 7.949 0.030 . 1 . . . . 47 ASN H . 11142 1 512 . 1 1 47 47 ASN HA H 1 4.093 0.030 . 1 . . . . 47 ASN HA . 11142 1 513 . 1 1 47 47 ASN HB2 H 1 2.677 0.030 . 2 . . . . 47 ASN HB2 . 11142 1 514 . 1 1 47 47 ASN HB3 H 1 2.169 0.030 . 2 . . . . 47 ASN HB3 . 11142 1 515 . 1 1 47 47 ASN HD21 H 1 5.994 0.030 . 2 . . . . 47 ASN HD21 . 11142 1 516 . 1 1 47 47 ASN HD22 H 1 4.392 0.030 . 2 . . . . 47 ASN HD22 . 11142 1 517 . 1 1 47 47 ASN C C 13 174.835 0.300 . 1 . . . . 47 ASN C . 11142 1 518 . 1 1 47 47 ASN CA C 13 55.239 0.300 . 1 . . . . 47 ASN CA . 11142 1 519 . 1 1 47 47 ASN CB C 13 38.252 0.300 . 1 . . . . 47 ASN CB . 11142 1 520 . 1 1 47 47 ASN N N 15 111.908 0.300 . 1 . . . . 47 ASN N . 11142 1 521 . 1 1 47 47 ASN ND2 N 15 109.454 0.300 . 1 . . . . 47 ASN ND2 . 11142 1 522 . 1 1 48 48 PHE H H 1 6.953 0.030 . 1 . . . . 48 PHE H . 11142 1 523 . 1 1 48 48 PHE HA H 1 3.865 0.030 . 1 . . . . 48 PHE HA . 11142 1 524 . 1 1 48 48 PHE HB2 H 1 2.065 0.030 . 2 . . . . 48 PHE HB2 . 11142 1 525 . 1 1 48 48 PHE HB3 H 1 2.412 0.030 . 2 . . . . 48 PHE HB3 . 11142 1 526 . 1 1 48 48 PHE HD1 H 1 7.585 0.030 . 1 . . . . 48 PHE HD1 . 11142 1 527 . 1 1 48 48 PHE HD2 H 1 7.585 0.030 . 1 . . . . 48 PHE HD2 . 11142 1 528 . 1 1 48 48 PHE HE1 H 1 7.193 0.030 . 1 . . . . 48 PHE HE1 . 11142 1 529 . 1 1 48 48 PHE HE2 H 1 7.193 0.030 . 1 . . . . 48 PHE HE2 . 11142 1 530 . 1 1 48 48 PHE HZ H 1 7.302 0.030 . 1 . . . . 48 PHE HZ . 11142 1 531 . 1 1 48 48 PHE C C 13 172.071 0.300 . 1 . . . . 48 PHE C . 11142 1 532 . 1 1 48 48 PHE CA C 13 58.156 0.300 . 1 . . . . 48 PHE CA . 11142 1 533 . 1 1 48 48 PHE CB C 13 39.058 0.300 . 1 . . . . 48 PHE CB . 11142 1 534 . 1 1 48 48 PHE CD1 C 13 130.531 0.300 . 1 . . . . 48 PHE CD1 . 11142 1 535 . 1 1 48 48 PHE CD2 C 13 130.531 0.300 . 1 . . . . 48 PHE CD2 . 11142 1 536 . 1 1 48 48 PHE CE1 C 13 129.084 0.300 . 1 . . . . 48 PHE CE1 . 11142 1 537 . 1 1 48 48 PHE CE2 C 13 129.084 0.300 . 1 . . . . 48 PHE CE2 . 11142 1 538 . 1 1 48 48 PHE CZ C 13 128.769 0.300 . 1 . . . . 48 PHE CZ . 11142 1 539 . 1 1 48 48 PHE N N 15 111.641 0.300 . 1 . . . . 48 PHE N . 11142 1 540 . 1 1 49 49 PHE H H 1 7.971 0.030 . 1 . . . . 49 PHE H . 11142 1 541 . 1 1 49 49 PHE HA H 1 4.902 0.030 . 1 . . . . 49 PHE HA . 11142 1 542 . 1 1 49 49 PHE HB2 H 1 2.528 0.030 . 2 . . . . 49 PHE HB2 . 11142 1 543 . 1 1 49 49 PHE HB3 H 1 2.408 0.030 . 2 . . . . 49 PHE HB3 . 11142 1 544 . 1 1 49 49 PHE HD1 H 1 7.414 0.030 . 1 . . . . 49 PHE HD1 . 11142 1 545 . 1 1 49 49 PHE HD2 H 1 7.414 0.030 . 1 . . . . 49 PHE HD2 . 11142 1 546 . 1 1 49 49 PHE HE1 H 1 7.199 0.030 . 1 . . . . 49 PHE HE1 . 11142 1 547 . 1 1 49 49 PHE HE2 H 1 7.199 0.030 . 1 . . . . 49 PHE HE2 . 11142 1 548 . 1 1 49 49 PHE HZ H 1 6.718 0.030 . 1 . . . . 49 PHE HZ . 11142 1 549 . 1 1 49 49 PHE C C 13 169.697 0.300 . 1 . . . . 49 PHE C . 11142 1 550 . 1 1 49 49 PHE CA C 13 52.361 0.300 . 1 . . . . 49 PHE CA . 11142 1 551 . 1 1 49 49 PHE CB C 13 36.483 0.300 . 1 . . . . 49 PHE CB . 11142 1 552 . 1 1 49 49 PHE CD1 C 13 131.183 0.300 . 1 . . . . 49 PHE CD1 . 11142 1 553 . 1 1 49 49 PHE CD2 C 13 131.183 0.300 . 1 . . . . 49 PHE CD2 . 11142 1 554 . 1 1 49 49 PHE CE1 C 13 127.963 0.300 . 1 . . . . 49 PHE CE1 . 11142 1 555 . 1 1 49 49 PHE CE2 C 13 127.963 0.300 . 1 . . . . 49 PHE CE2 . 11142 1 556 . 1 1 49 49 PHE CZ C 13 126.543 0.300 . 1 . . . . 49 PHE CZ . 11142 1 557 . 1 1 49 49 PHE N N 15 116.788 0.300 . 1 . . . . 49 PHE N . 11142 1 558 . 1 1 50 50 PRO HA H 1 2.910 0.030 . 1 . . . . 50 PRO HA . 11142 1 559 . 1 1 50 50 PRO HB2 H 1 1.727 0.030 . 2 . . . . 50 PRO HB2 . 11142 1 560 . 1 1 50 50 PRO HB3 H 1 1.599 0.030 . 2 . . . . 50 PRO HB3 . 11142 1 561 . 1 1 50 50 PRO HD2 H 1 2.943 0.030 . 2 . . . . 50 PRO HD2 . 11142 1 562 . 1 1 50 50 PRO HD3 H 1 3.352 0.030 . 2 . . . . 50 PRO HD3 . 11142 1 563 . 1 1 50 50 PRO HG2 H 1 1.625 0.030 . 2 . . . . 50 PRO HG2 . 11142 1 564 . 1 1 50 50 PRO HG3 H 1 1.730 0.030 . 2 . . . . 50 PRO HG3 . 11142 1 565 . 1 1 50 50 PRO C C 13 175.228 0.300 . 1 . . . . 50 PRO C . 11142 1 566 . 1 1 50 50 PRO CA C 13 61.639 0.300 . 1 . . . . 50 PRO CA . 11142 1 567 . 1 1 50 50 PRO CB C 13 28.741 0.300 . 1 . . . . 50 PRO CB . 11142 1 568 . 1 1 50 50 PRO CD C 13 47.293 0.300 . 1 . . . . 50 PRO CD . 11142 1 569 . 1 1 50 50 PRO CG C 13 24.894 0.300 . 1 . . . . 50 PRO CG . 11142 1 570 . 1 1 51 51 GLU H H 1 8.595 0.030 . 1 . . . . 51 GLU H . 11142 1 571 . 1 1 51 51 GLU HA H 1 4.129 0.030 . 1 . . . . 51 GLU HA . 11142 1 572 . 1 1 51 51 GLU HB2 H 1 1.812 0.030 . 2 . . . . 51 GLU HB2 . 11142 1 573 . 1 1 51 51 GLU HB3 H 1 2.014 0.030 . 2 . . . . 51 GLU HB3 . 11142 1 574 . 1 1 51 51 GLU HG2 H 1 2.165 0.030 . 2 . . . . 51 GLU HG2 . 11142 1 575 . 1 1 51 51 GLU HG3 H 1 2.000 0.030 . 2 . . . . 51 GLU HG3 . 11142 1 576 . 1 1 51 51 GLU C C 13 175.605 0.300 . 1 . . . . 51 GLU C . 11142 1 577 . 1 1 51 51 GLU CA C 13 53.806 0.300 . 1 . . . . 51 GLU CA . 11142 1 578 . 1 1 51 51 GLU CB C 13 26.454 0.300 . 1 . . . . 51 GLU CB . 11142 1 579 . 1 1 51 51 GLU CG C 13 33.759 0.300 . 1 . . . . 51 GLU CG . 11142 1 580 . 1 1 51 51 GLU N N 15 115.106 0.300 . 1 . . . . 51 GLU N . 11142 1 581 . 1 1 52 52 ALA H H 1 8.169 0.030 . 1 . . . . 52 ALA H . 11142 1 582 . 1 1 52 52 ALA HA H 1 3.925 0.030 . 1 . . . . 52 ALA HA . 11142 1 583 . 1 1 52 52 ALA HB1 H 1 1.228 0.030 . 1 . . . . 52 ALA HB . 11142 1 584 . 1 1 52 52 ALA HB2 H 1 1.228 0.030 . 1 . . . . 52 ALA HB . 11142 1 585 . 1 1 52 52 ALA HB3 H 1 1.228 0.030 . 1 . . . . 52 ALA HB . 11142 1 586 . 1 1 52 52 ALA C C 13 175.077 0.300 . 1 . . . . 52 ALA C . 11142 1 587 . 1 1 52 52 ALA CA C 13 52.815 0.300 . 1 . . . . 52 ALA CA . 11142 1 588 . 1 1 52 52 ALA CB C 13 17.047 0.300 . 1 . . . . 52 ALA CB . 11142 1 589 . 1 1 52 52 ALA N N 15 123.273 0.300 . 1 . . . . 52 ALA N . 11142 1 590 . 1 1 53 53 PHE H H 1 6.883 0.030 . 1 . . . . 53 PHE H . 11142 1 591 . 1 1 53 53 PHE HA H 1 4.543 0.030 . 1 . . . . 53 PHE HA . 11142 1 592 . 1 1 53 53 PHE HB2 H 1 2.879 0.030 . 2 . . . . 53 PHE HB2 . 11142 1 593 . 1 1 53 53 PHE HB3 H 1 3.507 0.030 . 2 . . . . 53 PHE HB3 . 11142 1 594 . 1 1 53 53 PHE HD1 H 1 6.795 0.030 . 1 . . . . 53 PHE HD1 . 11142 1 595 . 1 1 53 53 PHE HD2 H 1 6.795 0.030 . 1 . . . . 53 PHE HD2 . 11142 1 596 . 1 1 53 53 PHE HE1 H 1 7.116 0.030 . 1 . . . . 53 PHE HE1 . 11142 1 597 . 1 1 53 53 PHE HE2 H 1 7.116 0.030 . 1 . . . . 53 PHE HE2 . 11142 1 598 . 1 1 53 53 PHE HZ H 1 7.177 0.030 . 1 . . . . 53 PHE HZ . 11142 1 599 . 1 1 53 53 PHE C C 13 169.734 0.300 . 1 . . . . 53 PHE C . 11142 1 600 . 1 1 53 53 PHE CA C 13 53.490 0.300 . 1 . . . . 53 PHE CA . 11142 1 601 . 1 1 53 53 PHE CB C 13 36.134 0.300 . 1 . . . . 53 PHE CB . 11142 1 602 . 1 1 53 53 PHE CD1 C 13 131.272 0.300 . 1 . . . . 53 PHE CD1 . 11142 1 603 . 1 1 53 53 PHE CD2 C 13 131.272 0.300 . 1 . . . . 53 PHE CD2 . 11142 1 604 . 1 1 53 53 PHE CE1 C 13 127.801 0.300 . 1 . . . . 53 PHE CE1 . 11142 1 605 . 1 1 53 53 PHE CE2 C 13 127.801 0.300 . 1 . . . . 53 PHE CE2 . 11142 1 606 . 1 1 53 53 PHE CZ C 13 127.422 0.300 . 1 . . . . 53 PHE CZ . 11142 1 607 . 1 1 53 53 PHE N N 15 138.826 0.300 . 1 . . . . 53 PHE N . 11142 1 608 . 1 1 54 54 ASP H H 1 8.474 0.030 . 1 . . . . 54 ASP H . 11142 1 609 . 1 1 54 54 ASP HA H 1 4.971 0.030 . 1 . . . . 54 ASP HA . 11142 1 610 . 1 1 54 54 ASP HB2 H 1 2.814 0.030 . 2 . . . . 54 ASP HB2 . 11142 1 611 . 1 1 54 54 ASP HB3 H 1 2.568 0.030 . 2 . . . . 54 ASP HB3 . 11142 1 612 . 1 1 54 54 ASP C C 13 174.947 0.300 . 1 . . . . 54 ASP C . 11142 1 613 . 1 1 54 54 ASP CA C 13 49.957 0.300 . 1 . . . . 54 ASP CA . 11142 1 614 . 1 1 54 54 ASP CB C 13 38.514 0.300 . 1 . . . . 54 ASP CB . 11142 1 615 . 1 1 54 54 ASP N N 15 116.353 0.300 . 1 . . . . 54 ASP N . 11142 1 616 . 1 1 55 55 TYR H H 1 7.577 0.030 . 1 . . . . 55 TYR H . 11142 1 617 . 1 1 55 55 TYR HA H 1 3.774 0.030 . 1 . . . . 55 TYR HA . 11142 1 618 . 1 1 55 55 TYR HB2 H 1 1.780 0.030 . 2 . . . . 55 TYR HB2 . 11142 1 619 . 1 1 55 55 TYR HB3 H 1 2.500 0.030 . 2 . . . . 55 TYR HB3 . 11142 1 620 . 1 1 55 55 TYR HD1 H 1 6.685 0.030 . 1 . . . . 55 TYR HD1 . 11142 1 621 . 1 1 55 55 TYR HD2 H 1 6.685 0.030 . 1 . . . . 55 TYR HD2 . 11142 1 622 . 1 1 55 55 TYR HE1 H 1 6.690 0.030 . 1 . . . . 55 TYR HE1 . 11142 1 623 . 1 1 55 55 TYR HE2 H 1 6.690 0.030 . 1 . . . . 55 TYR HE2 . 11142 1 624 . 1 1 55 55 TYR C C 13 174.454 0.300 . 1 . . . . 55 TYR C . 11142 1 625 . 1 1 55 55 TYR CA C 13 59.272 0.300 . 1 . . . . 55 TYR CA . 11142 1 626 . 1 1 55 55 TYR CB C 13 35.340 0.300 . 1 . . . . 55 TYR CB . 11142 1 627 . 1 1 55 55 TYR CD1 C 13 130.890 0.300 . 1 . . . . 55 TYR CD1 . 11142 1 628 . 1 1 55 55 TYR CD2 C 13 130.890 0.300 . 1 . . . . 55 TYR CD2 . 11142 1 629 . 1 1 55 55 TYR CE1 C 13 115.885 0.300 . 1 . . . . 55 TYR CE1 . 11142 1 630 . 1 1 55 55 TYR CE2 C 13 115.885 0.300 . 1 . . . . 55 TYR CE2 . 11142 1 631 . 1 1 55 55 TYR N N 15 128.956 0.300 . 1 . . . . 55 TYR N . 11142 1 632 . 1 1 56 56 GLY H H 1 8.179 0.030 . 1 . . . . 56 GLY H . 11142 1 633 . 1 1 56 56 GLY HA2 H 1 3.941 0.030 . 2 . . . . 56 GLY HA2 . 11142 1 634 . 1 1 56 56 GLY HA3 H 1 3.824 0.030 . 2 . . . . 56 GLY HA3 . 11142 1 635 . 1 1 56 56 GLY C C 13 172.342 0.300 . 1 . . . . 56 GLY C . 11142 1 636 . 1 1 56 56 GLY CA C 13 43.942 0.300 . 1 . . . . 56 GLY CA . 11142 1 637 . 1 1 56 56 GLY N N 15 102.638 0.300 . 1 . . . . 56 GLY N . 11142 1 638 . 1 1 57 57 GLN H H 1 7.044 0.030 . 1 . . . . 57 GLN H . 11142 1 639 . 1 1 57 57 GLN HA H 1 4.202 0.030 . 1 . . . . 57 GLN HA . 11142 1 640 . 1 1 57 57 GLN HB2 H 1 2.228 0.030 . 2 . . . . 57 GLN HB2 . 11142 1 641 . 1 1 57 57 GLN HB3 H 1 1.843 0.030 . 2 . . . . 57 GLN HB3 . 11142 1 642 . 1 1 57 57 GLN HE21 H 1 7.647 0.030 . 2 . . . . 57 GLN HE21 . 11142 1 643 . 1 1 57 57 GLN HE22 H 1 6.776 0.030 . 2 . . . . 57 GLN HE22 . 11142 1 644 . 1 1 57 57 GLN HG2 H 1 2.336 0.030 . 2 . . . . 57 GLN HG2 . 11142 1 645 . 1 1 57 57 GLN HG3 H 1 2.249 0.030 . 2 . . . . 57 GLN HG3 . 11142 1 646 . 1 1 57 57 GLN C C 13 173.757 0.300 . 1 . . . . 57 GLN C . 11142 1 647 . 1 1 57 57 GLN CA C 13 52.997 0.300 . 1 . . . . 57 GLN CA . 11142 1 648 . 1 1 57 57 GLN CB C 13 26.966 0.300 . 1 . . . . 57 GLN CB . 11142 1 649 . 1 1 57 57 GLN CG C 13 31.584 0.300 . 1 . . . . 57 GLN CG . 11142 1 650 . 1 1 57 57 GLN N N 15 115.474 0.300 . 1 . . . . 57 GLN N . 11142 1 651 . 1 1 57 57 GLN NE2 N 15 112.811 0.300 . 1 . . . . 57 GLN NE2 . 11142 1 652 . 1 1 58 58 LEU H H 1 7.143 0.030 . 1 . . . . 58 LEU H . 11142 1 653 . 1 1 58 58 LEU HA H 1 4.367 0.030 . 1 . . . . 58 LEU HA . 11142 1 654 . 1 1 58 58 LEU HB2 H 1 1.150 0.030 . 1 . . . . 58 LEU HB2 . 11142 1 655 . 1 1 58 58 LEU HB3 H 1 1.150 0.030 . 1 . . . . 58 LEU HB3 . 11142 1 656 . 1 1 58 58 LEU HD11 H 1 0.585 0.030 . 1 . . . . 58 LEU HD1 . 11142 1 657 . 1 1 58 58 LEU HD12 H 1 0.585 0.030 . 1 . . . . 58 LEU HD1 . 11142 1 658 . 1 1 58 58 LEU HD13 H 1 0.585 0.030 . 1 . . . . 58 LEU HD1 . 11142 1 659 . 1 1 58 58 LEU HD21 H 1 0.556 0.030 . 1 . . . . 58 LEU HD2 . 11142 1 660 . 1 1 58 58 LEU HD22 H 1 0.556 0.030 . 1 . . . . 58 LEU HD2 . 11142 1 661 . 1 1 58 58 LEU HD23 H 1 0.556 0.030 . 1 . . . . 58 LEU HD2 . 11142 1 662 . 1 1 58 58 LEU HG H 1 1.395 0.030 . 1 . . . . 58 LEU HG . 11142 1 663 . 1 1 58 58 LEU C C 13 174.564 0.300 . 1 . . . . 58 LEU C . 11142 1 664 . 1 1 58 58 LEU CA C 13 51.763 0.300 . 1 . . . . 58 LEU CA . 11142 1 665 . 1 1 58 58 LEU CB C 13 38.914 0.300 . 1 . . . . 58 LEU CB . 11142 1 666 . 1 1 58 58 LEU CD1 C 13 24.945 0.300 . 2 . . . . 58 LEU CD1 . 11142 1 667 . 1 1 58 58 LEU CD2 C 13 18.337 0.300 . 2 . . . . 58 LEU CD2 . 11142 1 668 . 1 1 58 58 LEU CG C 13 24.446 0.300 . 1 . . . . 58 LEU CG . 11142 1 669 . 1 1 58 58 LEU N N 15 119.961 0.300 . 1 . . . . 58 LEU N . 11142 1 670 . 1 1 59 59 SER H H 1 9.032 0.030 . 1 . . . . 59 SER H . 11142 1 671 . 1 1 59 59 SER HA H 1 4.642 0.030 . 1 . . . . 59 SER HA . 11142 1 672 . 1 1 59 59 SER HB2 H 1 3.533 0.030 . 2 . . . . 59 SER HB2 . 11142 1 673 . 1 1 59 59 SER HB3 H 1 3.698 0.030 . 2 . . . . 59 SER HB3 . 11142 1 674 . 1 1 59 59 SER C C 13 171.883 0.300 . 1 . . . . 59 SER C . 11142 1 675 . 1 1 59 59 SER CA C 13 51.943 0.300 . 1 . . . . 59 SER CA . 11142 1 676 . 1 1 59 59 SER CB C 13 62.825 0.300 . 1 . . . . 59 SER CB . 11142 1 677 . 1 1 59 59 SER N N 15 116.048 0.300 . 1 . . . . 59 SER N . 11142 1 678 . 1 1 60 60 PRO HA H 1 3.666 0.030 . 1 . . . . 60 PRO HA . 11142 1 679 . 1 1 60 60 PRO HB2 H 1 1.660 0.030 . 2 . . . . 60 PRO HB2 . 11142 1 680 . 1 1 60 60 PRO HB3 H 1 2.148 0.030 . 2 . . . . 60 PRO HB3 . 11142 1 681 . 1 1 60 60 PRO HD2 H 1 3.385 0.030 . 2 . . . . 60 PRO HD2 . 11142 1 682 . 1 1 60 60 PRO HD3 H 1 2.749 0.030 . 2 . . . . 60 PRO HD3 . 11142 1 683 . 1 1 60 60 PRO HG2 H 1 1.287 0.030 . 2 . . . . 60 PRO HG2 . 11142 1 684 . 1 1 60 60 PRO HG3 H 1 1.551 0.030 . 2 . . . . 60 PRO HG3 . 11142 1 685 . 1 1 60 60 PRO C C 13 173.048 0.300 . 1 . . . . 60 PRO C . 11142 1 686 . 1 1 60 60 PRO CA C 13 62.314 0.300 . 1 . . . . 60 PRO CA . 11142 1 687 . 1 1 60 60 PRO CB C 13 29.904 0.300 . 1 . . . . 60 PRO CB . 11142 1 688 . 1 1 60 60 PRO CD C 13 48.390 0.300 . 1 . . . . 60 PRO CD . 11142 1 689 . 1 1 60 60 PRO CG C 13 24.857 0.300 . 1 . . . . 60 PRO CG . 11142 1 690 . 1 1 61 61 GLN H H 1 7.479 0.030 . 1 . . . . 61 GLN H . 11142 1 691 . 1 1 61 61 GLN HA H 1 3.993 0.030 . 1 . . . . 61 GLN HA . 11142 1 692 . 1 1 61 61 GLN HB2 H 1 1.946 0.030 . 2 . . . . 61 GLN HB2 . 11142 1 693 . 1 1 61 61 GLN HB3 H 1 1.772 0.030 . 2 . . . . 61 GLN HB3 . 11142 1 694 . 1 1 61 61 GLN HE21 H 1 6.770 0.030 . 2 . . . . 61 GLN HE21 . 11142 1 695 . 1 1 61 61 GLN HE22 H 1 7.440 0.030 . 2 . . . . 61 GLN HE22 . 11142 1 696 . 1 1 61 61 GLN HG2 H 1 2.227 0.030 . 1 . . . . 61 GLN HG2 . 11142 1 697 . 1 1 61 61 GLN HG3 H 1 2.227 0.030 . 1 . . . . 61 GLN HG3 . 11142 1 698 . 1 1 61 61 GLN C C 13 174.929 0.300 . 1 . . . . 61 GLN C . 11142 1 699 . 1 1 61 61 GLN CA C 13 55.077 0.300 . 1 . . . . 61 GLN CA . 11142 1 700 . 1 1 61 61 GLN CB C 13 26.422 0.300 . 1 . . . . 61 GLN CB . 11142 1 701 . 1 1 61 61 GLN CG C 13 31.754 0.300 . 1 . . . . 61 GLN CG . 11142 1 702 . 1 1 61 61 GLN N N 15 110.900 0.300 . 1 . . . . 61 GLN N . 11142 1 703 . 1 1 61 61 GLN NE2 N 15 111.992 0.300 . 1 . . . . 61 GLN NE2 . 11142 1 704 . 1 1 62 62 ASN H H 1 7.340 0.030 . 1 . . . . 62 ASN H . 11142 1 705 . 1 1 62 62 ASN HA H 1 4.853 0.030 . 1 . . . . 62 ASN HA . 11142 1 706 . 1 1 62 62 ASN HB2 H 1 2.882 0.030 . 2 . . . . 62 ASN HB2 . 11142 1 707 . 1 1 62 62 ASN HB3 H 1 3.149 0.030 . 2 . . . . 62 ASN HB3 . 11142 1 708 . 1 1 62 62 ASN HD21 H 1 6.785 0.030 . 2 . . . . 62 ASN HD21 . 11142 1 709 . 1 1 62 62 ASN HD22 H 1 7.367 0.030 . 2 . . . . 62 ASN HD22 . 11142 1 710 . 1 1 62 62 ASN C C 13 171.640 0.300 . 1 . . . . 62 ASN C . 11142 1 711 . 1 1 62 62 ASN CA C 13 48.449 0.300 . 1 . . . . 62 ASN CA . 11142 1 712 . 1 1 62 62 ASN CB C 13 33.952 0.300 . 1 . . . . 62 ASN CB . 11142 1 713 . 1 1 62 62 ASN N N 15 119.950 0.300 . 1 . . . . 62 ASN N . 11142 1 714 . 1 1 62 62 ASN ND2 N 15 112.532 0.300 . 1 . . . . 62 ASN ND2 . 11142 1 715 . 1 1 63 63 ARG H H 1 7.229 0.030 . 1 . . . . 63 ARG H . 11142 1 716 . 1 1 63 63 ARG HA H 1 3.520 0.030 . 1 . . . . 63 ARG HA . 11142 1 717 . 1 1 63 63 ARG HB2 H 1 1.718 0.030 . 2 . . . . 63 ARG HB2 . 11142 1 718 . 1 1 63 63 ARG HB3 H 1 1.634 0.030 . 2 . . . . 63 ARG HB3 . 11142 1 719 . 1 1 63 63 ARG HD2 H 1 3.478 0.030 . 2 . . . . 63 ARG HD2 . 11142 1 720 . 1 1 63 63 ARG HD3 H 1 3.393 0.030 . 2 . . . . 63 ARG HD3 . 11142 1 721 . 1 1 63 63 ARG HG2 H 1 1.592 0.030 . 1 . . . . 63 ARG HG2 . 11142 1 722 . 1 1 63 63 ARG HG3 H 1 1.592 0.030 . 1 . . . . 63 ARG HG3 . 11142 1 723 . 1 1 63 63 ARG C C 13 174.116 0.300 . 1 . . . . 63 ARG C . 11142 1 724 . 1 1 63 63 ARG CA C 13 57.862 0.300 . 1 . . . . 63 ARG CA . 11142 1 725 . 1 1 63 63 ARG CB C 13 27.914 0.300 . 1 . . . . 63 ARG CB . 11142 1 726 . 1 1 63 63 ARG CD C 13 41.073 0.300 . 1 . . . . 63 ARG CD . 11142 1 727 . 1 1 63 63 ARG CG C 13 26.756 0.300 . 1 . . . . 63 ARG CG . 11142 1 728 . 1 1 63 63 ARG N N 15 117.993 0.300 . 1 . . . . 63 ARG N . 11142 1 729 . 1 1 64 64 ARG H H 1 8.366 0.030 . 1 . . . . 64 ARG H . 11142 1 730 . 1 1 64 64 ARG HA H 1 3.603 0.030 . 1 . . . . 64 ARG HA . 11142 1 731 . 1 1 64 64 ARG HB2 H 1 1.611 0.030 . 2 . . . . 64 ARG HB2 . 11142 1 732 . 1 1 64 64 ARG HB3 H 1 1.770 0.030 . 2 . . . . 64 ARG HB3 . 11142 1 733 . 1 1 64 64 ARG HD2 H 1 2.985 0.030 . 2 . . . . 64 ARG HD2 . 11142 1 734 . 1 1 64 64 ARG HD3 H 1 3.200 0.030 . 2 . . . . 64 ARG HD3 . 11142 1 735 . 1 1 64 64 ARG HG2 H 1 1.282 0.030 . 2 . . . . 64 ARG HG2 . 11142 1 736 . 1 1 64 64 ARG HG3 H 1 1.374 0.030 . 2 . . . . 64 ARG HG3 . 11142 1 737 . 1 1 64 64 ARG C C 13 174.614 0.300 . 1 . . . . 64 ARG C . 11142 1 738 . 1 1 64 64 ARG CA C 13 58.191 0.300 . 1 . . . . 64 ARG CA . 11142 1 739 . 1 1 64 64 ARG CB C 13 27.501 0.300 . 1 . . . . 64 ARG CB . 11142 1 740 . 1 1 64 64 ARG CD C 13 40.601 0.300 . 1 . . . . 64 ARG CD . 11142 1 741 . 1 1 64 64 ARG CG C 13 25.445 0.300 . 1 . . . . 64 ARG CG . 11142 1 742 . 1 1 64 64 ARG N N 15 115.141 0.300 . 1 . . . . 64 ARG N . 11142 1 743 . 1 1 65 65 GLN H H 1 7.116 0.030 . 1 . . . . 65 GLN H . 11142 1 744 . 1 1 65 65 GLN HA H 1 3.821 0.030 . 1 . . . . 65 GLN HA . 11142 1 745 . 1 1 65 65 GLN HB2 H 1 1.768 0.030 . 2 . . . . 65 GLN HB2 . 11142 1 746 . 1 1 65 65 GLN HB3 H 1 1.847 0.030 . 2 . . . . 65 GLN HB3 . 11142 1 747 . 1 1 65 65 GLN HE21 H 1 7.428 0.030 . 2 . . . . 65 GLN HE21 . 11142 1 748 . 1 1 65 65 GLN HE22 H 1 6.692 0.030 . 2 . . . . 65 GLN HE22 . 11142 1 749 . 1 1 65 65 GLN HG2 H 1 2.200 0.030 . 2 . . . . 65 GLN HG2 . 11142 1 750 . 1 1 65 65 GLN HG3 H 1 1.966 0.030 . 2 . . . . 65 GLN HG3 . 11142 1 751 . 1 1 65 65 GLN C C 13 174.350 0.300 . 1 . . . . 65 GLN C . 11142 1 752 . 1 1 65 65 GLN CA C 13 56.487 0.300 . 1 . . . . 65 GLN CA . 11142 1 753 . 1 1 65 65 GLN CB C 13 26.452 0.300 . 1 . . . . 65 GLN CB . 11142 1 754 . 1 1 65 65 GLN CG C 13 32.156 0.300 . 1 . . . . 65 GLN CG . 11142 1 755 . 1 1 65 65 GLN N N 15 116.170 0.300 . 1 . . . . 65 GLN N . 11142 1 756 . 1 1 65 65 GLN NE2 N 15 111.222 0.300 . 1 . . . . 65 GLN NE2 . 11142 1 757 . 1 1 66 66 ASN H H 1 7.542 0.030 . 1 . . . . 66 ASN H . 11142 1 758 . 1 1 66 66 ASN HA H 1 3.871 0.030 . 1 . . . . 66 ASN HA . 11142 1 759 . 1 1 66 66 ASN HB2 H 1 2.070 0.030 . 2 . . . . 66 ASN HB2 . 11142 1 760 . 1 1 66 66 ASN HB3 H 1 2.474 0.030 . 2 . . . . 66 ASN HB3 . 11142 1 761 . 1 1 66 66 ASN HD21 H 1 6.992 0.030 . 2 . . . . 66 ASN HD21 . 11142 1 762 . 1 1 66 66 ASN HD22 H 1 6.557 0.030 . 2 . . . . 66 ASN HD22 . 11142 1 763 . 1 1 66 66 ASN C C 13 174.919 0.300 . 1 . . . . 66 ASN C . 11142 1 764 . 1 1 66 66 ASN CA C 13 53.279 0.300 . 1 . . . . 66 ASN CA . 11142 1 765 . 1 1 66 66 ASN CB C 13 34.587 0.300 . 1 . . . . 66 ASN CB . 11142 1 766 . 1 1 66 66 ASN N N 15 117.958 0.300 . 1 . . . . 66 ASN N . 11142 1 767 . 1 1 66 66 ASN ND2 N 15 109.074 0.300 . 1 . . . . 66 ASN ND2 . 11142 1 768 . 1 1 67 67 PHE H H 1 7.757 0.030 . 1 . . . . 67 PHE H . 11142 1 769 . 1 1 67 67 PHE HA H 1 3.343 0.030 . 1 . . . . 67 PHE HA . 11142 1 770 . 1 1 67 67 PHE HB2 H 1 2.629 0.030 . 2 . . . . 67 PHE HB2 . 11142 1 771 . 1 1 67 67 PHE HB3 H 1 2.701 0.030 . 2 . . . . 67 PHE HB3 . 11142 1 772 . 1 1 67 67 PHE HD1 H 1 6.851 0.030 . 1 . . . . 67 PHE HD1 . 11142 1 773 . 1 1 67 67 PHE HD2 H 1 6.851 0.030 . 1 . . . . 67 PHE HD2 . 11142 1 774 . 1 1 67 67 PHE HE1 H 1 7.267 0.030 . 1 . . . . 67 PHE HE1 . 11142 1 775 . 1 1 67 67 PHE HE2 H 1 7.267 0.030 . 1 . . . . 67 PHE HE2 . 11142 1 776 . 1 1 67 67 PHE C C 13 173.751 0.300 . 1 . . . . 67 PHE C . 11142 1 777 . 1 1 67 67 PHE CA C 13 59.237 0.300 . 1 . . . . 67 PHE CA . 11142 1 778 . 1 1 67 67 PHE CB C 13 36.433 0.300 . 1 . . . . 67 PHE CB . 11142 1 779 . 1 1 67 67 PHE CD1 C 13 129.376 0.300 . 1 . . . . 67 PHE CD1 . 11142 1 780 . 1 1 67 67 PHE CD2 C 13 129.376 0.300 . 1 . . . . 67 PHE CD2 . 11142 1 781 . 1 1 67 67 PHE CE1 C 13 128.113 0.300 . 1 . . . . 67 PHE CE1 . 11142 1 782 . 1 1 67 67 PHE CE2 C 13 128.113 0.300 . 1 . . . . 67 PHE CE2 . 11142 1 783 . 1 1 67 67 PHE N N 15 115.831 0.300 . 1 . . . . 67 PHE N . 11142 1 784 . 1 1 68 68 GLU H H 1 7.987 0.030 . 1 . . . . 68 GLU H . 11142 1 785 . 1 1 68 68 GLU HA H 1 3.859 0.030 . 1 . . . . 68 GLU HA . 11142 1 786 . 1 1 68 68 GLU HB2 H 1 1.870 0.030 . 2 . . . . 68 GLU HB2 . 11142 1 787 . 1 1 68 68 GLU HB3 H 1 2.083 0.030 . 2 . . . . 68 GLU HB3 . 11142 1 788 . 1 1 68 68 GLU HG2 H 1 2.452 0.030 . 2 . . . . 68 GLU HG2 . 11142 1 789 . 1 1 68 68 GLU HG3 H 1 2.143 0.030 . 2 . . . . 68 GLU HG3 . 11142 1 790 . 1 1 68 68 GLU C C 13 178.453 0.300 . 1 . . . . 68 GLU C . 11142 1 791 . 1 1 68 68 GLU CA C 13 57.333 0.300 . 1 . . . . 68 GLU CA . 11142 1 792 . 1 1 68 68 GLU CB C 13 27.463 0.300 . 1 . . . . 68 GLU CB . 11142 1 793 . 1 1 68 68 GLU CG C 13 34.623 0.300 . 1 . . . . 68 GLU CG . 11142 1 794 . 1 1 68 68 GLU N N 15 115.966 0.300 . 1 . . . . 68 GLU N . 11142 1 795 . 1 1 69 69 VAL H H 1 8.603 0.030 . 1 . . . . 69 VAL H . 11142 1 796 . 1 1 69 69 VAL HA H 1 3.437 0.030 . 1 . . . . 69 VAL HA . 11142 1 797 . 1 1 69 69 VAL HB H 1 1.703 0.030 . 1 . . . . 69 VAL HB . 11142 1 798 . 1 1 69 69 VAL HG11 H 1 -0.084 0.030 . 1 . . . . 69 VAL HG1 . 11142 1 799 . 1 1 69 69 VAL HG12 H 1 -0.084 0.030 . 1 . . . . 69 VAL HG1 . 11142 1 800 . 1 1 69 69 VAL HG13 H 1 -0.084 0.030 . 1 . . . . 69 VAL HG1 . 11142 1 801 . 1 1 69 69 VAL HG21 H 1 0.695 0.030 . 1 . . . . 69 VAL HG2 . 11142 1 802 . 1 1 69 69 VAL HG22 H 1 0.695 0.030 . 1 . . . . 69 VAL HG2 . 11142 1 803 . 1 1 69 69 VAL HG23 H 1 0.695 0.030 . 1 . . . . 69 VAL HG2 . 11142 1 804 . 1 1 69 69 VAL C C 13 176.759 0.300 . 1 . . . . 69 VAL C . 11142 1 805 . 1 1 69 69 VAL CA C 13 63.820 0.300 . 1 . . . . 69 VAL CA . 11142 1 806 . 1 1 69 69 VAL CB C 13 29.043 0.300 . 1 . . . . 69 VAL CB . 11142 1 807 . 1 1 69 69 VAL CG1 C 13 17.725 0.300 . 2 . . . . 69 VAL CG1 . 11142 1 808 . 1 1 69 69 VAL CG2 C 13 20.961 0.300 . 2 . . . . 69 VAL CG2 . 11142 1 809 . 1 1 69 69 VAL N N 15 120.700 0.300 . 1 . . . . 69 VAL N . 11142 1 810 . 1 1 70 70 ALA H H 1 7.932 0.030 . 1 . . . . 70 ALA H . 11142 1 811 . 1 1 70 70 ALA HA H 1 3.777 0.030 . 1 . . . . 70 ALA HA . 11142 1 812 . 1 1 70 70 ALA HB1 H 1 1.397 0.030 . 1 . . . . 70 ALA HB . 11142 1 813 . 1 1 70 70 ALA HB2 H 1 1.397 0.030 . 1 . . . . 70 ALA HB . 11142 1 814 . 1 1 70 70 ALA HB3 H 1 1.397 0.030 . 1 . . . . 70 ALA HB . 11142 1 815 . 1 1 70 70 ALA C C 13 177.376 0.300 . 1 . . . . 70 ALA C . 11142 1 816 . 1 1 70 70 ALA CA C 13 54.222 0.300 . 1 . . . . 70 ALA CA . 11142 1 817 . 1 1 70 70 ALA CB C 13 17.033 0.300 . 1 . . . . 70 ALA CB . 11142 1 818 . 1 1 70 70 ALA N N 15 124.398 0.300 . 1 . . . . 70 ALA N . 11142 1 819 . 1 1 71 71 PHE H H 1 8.592 0.030 . 1 . . . . 71 PHE H . 11142 1 820 . 1 1 71 71 PHE HA H 1 4.617 0.030 . 1 . . . . 71 PHE HA . 11142 1 821 . 1 1 71 71 PHE HB2 H 1 3.058 0.030 . 2 . . . . 71 PHE HB2 . 11142 1 822 . 1 1 71 71 PHE HB3 H 1 2.956 0.030 . 2 . . . . 71 PHE HB3 . 11142 1 823 . 1 1 71 71 PHE HD1 H 1 6.926 0.030 . 1 . . . . 71 PHE HD1 . 11142 1 824 . 1 1 71 71 PHE HD2 H 1 6.926 0.030 . 1 . . . . 71 PHE HD2 . 11142 1 825 . 1 1 71 71 PHE HE1 H 1 5.802 0.030 . 1 . . . . 71 PHE HE1 . 11142 1 826 . 1 1 71 71 PHE HE2 H 1 5.802 0.030 . 1 . . . . 71 PHE HE2 . 11142 1 827 . 1 1 71 71 PHE HZ H 1 6.098 0.030 . 1 . . . . 71 PHE HZ . 11142 1 828 . 1 1 71 71 PHE C C 13 178.802 0.300 . 1 . . . . 71 PHE C . 11142 1 829 . 1 1 71 71 PHE CA C 13 54.927 0.300 . 1 . . . . 71 PHE CA . 11142 1 830 . 1 1 71 71 PHE CB C 13 34.495 0.300 . 1 . . . . 71 PHE CB . 11142 1 831 . 1 1 71 71 PHE CD1 C 13 128.271 0.300 . 1 . . . . 71 PHE CD1 . 11142 1 832 . 1 1 71 71 PHE CD2 C 13 128.271 0.300 . 1 . . . . 71 PHE CD2 . 11142 1 833 . 1 1 71 71 PHE CE1 C 13 127.675 0.300 . 1 . . . . 71 PHE CE1 . 11142 1 834 . 1 1 71 71 PHE CE2 C 13 127.675 0.300 . 1 . . . . 71 PHE CE2 . 11142 1 835 . 1 1 71 71 PHE CZ C 13 126.562 0.300 . 1 . . . . 71 PHE CZ . 11142 1 836 . 1 1 71 71 PHE N N 15 115.182 0.300 . 1 . . . . 71 PHE N . 11142 1 837 . 1 1 72 72 SER H H 1 8.447 0.030 . 1 . . . . 72 SER H . 11142 1 838 . 1 1 72 72 SER HA H 1 4.325 0.030 . 1 . . . . 72 SER HA . 11142 1 839 . 1 1 72 72 SER HB2 H 1 4.062 0.030 . 2 . . . . 72 SER HB2 . 11142 1 840 . 1 1 72 72 SER HB3 H 1 4.010 0.030 . 2 . . . . 72 SER HB3 . 11142 1 841 . 1 1 72 72 SER C C 13 175.256 0.300 . 1 . . . . 72 SER C . 11142 1 842 . 1 1 72 72 SER CA C 13 59.660 0.300 . 1 . . . . 72 SER CA . 11142 1 843 . 1 1 72 72 SER CB C 13 60.185 0.300 . 1 . . . . 72 SER CB . 11142 1 844 . 1 1 72 72 SER N N 15 115.681 0.300 . 1 . . . . 72 SER N . 11142 1 845 . 1 1 73 73 SER H H 1 8.118 0.030 . 1 . . . . 73 SER H . 11142 1 846 . 1 1 73 73 SER HA H 1 3.800 0.030 . 1 . . . . 73 SER HA . 11142 1 847 . 1 1 73 73 SER HB2 H 1 3.800 0.030 . 2 . . . . 73 SER HB2 . 11142 1 848 . 1 1 73 73 SER HB3 H 1 4.411 0.030 . 2 . . . . 73 SER HB3 . 11142 1 849 . 1 1 73 73 SER C C 13 173.729 0.300 . 1 . . . . 73 SER C . 11142 1 850 . 1 1 73 73 SER CA C 13 60.894 0.300 . 1 . . . . 73 SER CA . 11142 1 851 . 1 1 73 73 SER CB C 13 61.056 0.300 . 1 . . . . 73 SER CB . 11142 1 852 . 1 1 73 73 SER N N 15 119.277 0.300 . 1 . . . . 73 SER N . 11142 1 853 . 1 1 74 74 ALA H H 1 8.814 0.030 . 1 . . . . 74 ALA H . 11142 1 854 . 1 1 74 74 ALA HA H 1 4.046 0.030 . 1 . . . . 74 ALA HA . 11142 1 855 . 1 1 74 74 ALA HB1 H 1 1.649 0.030 . 1 . . . . 74 ALA HB . 11142 1 856 . 1 1 74 74 ALA HB2 H 1 1.649 0.030 . 1 . . . . 74 ALA HB . 11142 1 857 . 1 1 74 74 ALA HB3 H 1 1.649 0.030 . 1 . . . . 74 ALA HB . 11142 1 858 . 1 1 74 74 ALA C C 13 177.925 0.300 . 1 . . . . 74 ALA C . 11142 1 859 . 1 1 74 74 ALA CA C 13 53.394 0.300 . 1 . . . . 74 ALA CA . 11142 1 860 . 1 1 74 74 ALA CB C 13 16.331 0.300 . 1 . . . . 74 ALA CB . 11142 1 861 . 1 1 74 74 ALA N N 15 124.115 0.300 . 1 . . . . 74 ALA N . 11142 1 862 . 1 1 75 75 GLU H H 1 7.669 0.030 . 1 . . . . 75 GLU H . 11142 1 863 . 1 1 75 75 GLU HA H 1 4.299 0.030 . 1 . . . . 75 GLU HA . 11142 1 864 . 1 1 75 75 GLU HB2 H 1 2.075 0.030 . 2 . . . . 75 GLU HB2 . 11142 1 865 . 1 1 75 75 GLU HB3 H 1 2.288 0.030 . 2 . . . . 75 GLU HB3 . 11142 1 866 . 1 1 75 75 GLU HG2 H 1 2.038 0.030 . 1 . . . . 75 GLU HG2 . 11142 1 867 . 1 1 75 75 GLU HG3 H 1 2.038 0.030 . 1 . . . . 75 GLU HG3 . 11142 1 868 . 1 1 75 75 GLU C C 13 176.349 0.300 . 1 . . . . 75 GLU C . 11142 1 869 . 1 1 75 75 GLU CA C 13 57.756 0.300 . 1 . . . . 75 GLU CA . 11142 1 870 . 1 1 75 75 GLU CB C 13 27.680 0.300 . 1 . . . . 75 GLU CB . 11142 1 871 . 1 1 75 75 GLU CG C 13 34.089 0.300 . 1 . . . . 75 GLU CG . 11142 1 872 . 1 1 75 75 GLU N N 15 121.100 0.300 . 1 . . . . 75 GLU N . 11142 1 873 . 1 1 76 76 THR H H 1 8.459 0.030 . 1 . . . . 76 THR H . 11142 1 874 . 1 1 76 76 THR HA H 1 3.727 0.030 . 1 . . . . 76 THR HA . 11142 1 875 . 1 1 76 76 THR HB H 1 3.834 0.030 . 1 . . . . 76 THR HB . 11142 1 876 . 1 1 76 76 THR HG21 H 1 0.672 0.030 . 1 . . . . 76 THR HG2 . 11142 1 877 . 1 1 76 76 THR HG22 H 1 0.672 0.030 . 1 . . . . 76 THR HG2 . 11142 1 878 . 1 1 76 76 THR HG23 H 1 0.672 0.030 . 1 . . . . 76 THR HG2 . 11142 1 879 . 1 1 76 76 THR C C 13 173.806 0.300 . 1 . . . . 76 THR C . 11142 1 880 . 1 1 76 76 THR CA C 13 63.891 0.300 . 1 . . . . 76 THR CA . 11142 1 881 . 1 1 76 76 THR CB C 13 67.236 0.300 . 1 . . . . 76 THR CB . 11142 1 882 . 1 1 76 76 THR CG2 C 13 18.857 0.300 . 1 . . . . 76 THR CG2 . 11142 1 883 . 1 1 76 76 THR N N 15 115.068 0.300 . 1 . . . . 76 THR N . 11142 1 884 . 1 1 77 77 HIS H H 1 8.276 0.030 . 1 . . . . 77 HIS H . 11142 1 885 . 1 1 77 77 HIS HA H 1 4.053 0.030 . 1 . . . . 77 HIS HA . 11142 1 886 . 1 1 77 77 HIS HB2 H 1 1.445 0.030 . 2 . . . . 77 HIS HB2 . 11142 1 887 . 1 1 77 77 HIS HB3 H 1 1.814 0.030 . 2 . . . . 77 HIS HB3 . 11142 1 888 . 1 1 77 77 HIS HD2 H 1 6.986 0.030 . 1 . . . . 77 HIS HD2 . 11142 1 889 . 1 1 77 77 HIS HE1 H 1 7.695 0.030 . 1 . . . . 77 HIS HE1 . 11142 1 890 . 1 1 77 77 HIS C C 13 172.705 0.300 . 1 . . . . 77 HIS C . 11142 1 891 . 1 1 77 77 HIS CA C 13 56.205 0.300 . 1 . . . . 77 HIS CA . 11142 1 892 . 1 1 77 77 HIS CB C 13 25.786 0.300 . 1 . . . . 77 HIS CB . 11142 1 893 . 1 1 77 77 HIS CD2 C 13 118.223 0.300 . 1 . . . . 77 HIS CD2 . 11142 1 894 . 1 1 77 77 HIS CE1 C 13 136.367 0.300 . 1 . . . . 77 HIS CE1 . 11142 1 895 . 1 1 77 77 HIS N N 15 115.206 0.300 . 1 . . . . 77 HIS N . 11142 1 896 . 1 1 78 78 ALA H H 1 7.205 0.030 . 1 . . . . 78 ALA H . 11142 1 897 . 1 1 78 78 ALA HA H 1 4.491 0.030 . 1 . . . . 78 ALA HA . 11142 1 898 . 1 1 78 78 ALA HB1 H 1 1.471 0.030 . 1 . . . . 78 ALA HB . 11142 1 899 . 1 1 78 78 ALA HB2 H 1 1.471 0.030 . 1 . . . . 78 ALA HB . 11142 1 900 . 1 1 78 78 ALA HB3 H 1 1.471 0.030 . 1 . . . . 78 ALA HB . 11142 1 901 . 1 1 78 78 ALA C C 13 172.600 0.300 . 1 . . . . 78 ALA C . 11142 1 902 . 1 1 78 78 ALA CA C 13 48.351 0.300 . 1 . . . . 78 ALA CA . 11142 1 903 . 1 1 78 78 ALA CB C 13 17.775 0.300 . 1 . . . . 78 ALA CB . 11142 1 904 . 1 1 78 78 ALA N N 15 116.643 0.300 . 1 . . . . 78 ALA N . 11142 1 905 . 1 1 79 79 ASP H H 1 7.292 0.030 . 1 . . . . 79 ASP H . 11142 1 906 . 1 1 79 79 ASP HA H 1 4.541 0.030 . 1 . . . . 79 ASP HA . 11142 1 907 . 1 1 79 79 ASP HB2 H 1 2.690 0.030 . 2 . . . . 79 ASP HB2 . 11142 1 908 . 1 1 79 79 ASP HB3 H 1 2.908 0.030 . 2 . . . . 79 ASP HB3 . 11142 1 909 . 1 1 79 79 ASP C C 13 172.061 0.300 . 1 . . . . 79 ASP C . 11142 1 910 . 1 1 79 79 ASP CA C 13 53.040 0.300 . 1 . . . . 79 ASP CA . 11142 1 911 . 1 1 79 79 ASP CB C 13 37.239 0.300 . 1 . . . . 79 ASP CB . 11142 1 912 . 1 1 79 79 ASP N N 15 114.830 0.300 . 1 . . . . 79 ASP N . 11142 1 913 . 1 1 80 80 CYS H H 1 7.544 0.030 . 1 . . . . 80 CYS H . 11142 1 914 . 1 1 80 80 CYS HA H 1 5.112 0.030 . 1 . . . . 80 CYS HA . 11142 1 915 . 1 1 80 80 CYS HB2 H 1 2.245 0.030 . 2 . . . . 80 CYS HB2 . 11142 1 916 . 1 1 80 80 CYS HB3 H 1 2.886 0.030 . 2 . . . . 80 CYS HB3 . 11142 1 917 . 1 1 80 80 CYS C C 13 170.159 0.300 . 1 . . . . 80 CYS C . 11142 1 918 . 1 1 80 80 CYS CA C 13 53.940 0.300 . 1 . . . . 80 CYS CA . 11142 1 919 . 1 1 80 80 CYS CB C 13 25.913 0.300 . 1 . . . . 80 CYS CB . 11142 1 920 . 1 1 80 80 CYS N N 15 120.810 0.300 . 1 . . . . 80 CYS N . 11142 1 921 . 1 1 81 81 PRO HA H 1 4.275 0.030 . 1 . . . . 81 PRO HA . 11142 1 922 . 1 1 81 81 PRO HB2 H 1 1.632 0.030 . 2 . . . . 81 PRO HB2 . 11142 1 923 . 1 1 81 81 PRO HB3 H 1 2.125 0.030 . 2 . . . . 81 PRO HB3 . 11142 1 924 . 1 1 81 81 PRO HD2 H 1 3.878 0.030 . 2 . . . . 81 PRO HD2 . 11142 1 925 . 1 1 81 81 PRO HD3 H 1 3.975 0.030 . 2 . . . . 81 PRO HD3 . 11142 1 926 . 1 1 81 81 PRO HG2 H 1 1.896 0.030 . 2 . . . . 81 PRO HG2 . 11142 1 927 . 1 1 81 81 PRO HG3 H 1 1.796 0.030 . 2 . . . . 81 PRO HG3 . 11142 1 928 . 1 1 81 81 PRO C C 13 174.104 0.300 . 1 . . . . 81 PRO C . 11142 1 929 . 1 1 81 81 PRO CA C 13 60.129 0.300 . 1 . . . . 81 PRO CA . 11142 1 930 . 1 1 81 81 PRO CB C 13 30.091 0.300 . 1 . . . . 81 PRO CB . 11142 1 931 . 1 1 81 81 PRO CD C 13 49.009 0.300 . 1 . . . . 81 PRO CD . 11142 1 932 . 1 1 81 81 PRO CG C 13 24.624 0.300 . 1 . . . . 81 PRO CG . 11142 1 933 . 1 1 82 82 GLN H H 1 8.422 0.030 . 1 . . . . 82 GLN H . 11142 1 934 . 1 1 82 82 GLN HA H 1 4.530 0.030 . 1 . . . . 82 GLN HA . 11142 1 935 . 1 1 82 82 GLN HB2 H 1 1.822 0.030 . 2 . . . . 82 GLN HB2 . 11142 1 936 . 1 1 82 82 GLN HB3 H 1 1.715 0.030 . 2 . . . . 82 GLN HB3 . 11142 1 937 . 1 1 82 82 GLN HE21 H 1 7.723 0.030 . 2 . . . . 82 GLN HE21 . 11142 1 938 . 1 1 82 82 GLN HE22 H 1 6.698 0.030 . 2 . . . . 82 GLN HE22 . 11142 1 939 . 1 1 82 82 GLN HG2 H 1 2.275 0.030 . 2 . . . . 82 GLN HG2 . 11142 1 940 . 1 1 82 82 GLN HG3 H 1 2.118 0.030 . 2 . . . . 82 GLN HG3 . 11142 1 941 . 1 1 82 82 GLN C C 13 174.766 0.300 . 1 . . . . 82 GLN C . 11142 1 942 . 1 1 82 82 GLN CA C 13 53.103 0.300 . 1 . . . . 82 GLN CA . 11142 1 943 . 1 1 82 82 GLN CB C 13 23.118 0.300 . 1 . . . . 82 GLN CB . 11142 1 944 . 1 1 82 82 GLN CG C 13 31.863 0.300 . 1 . . . . 82 GLN CG . 11142 1 945 . 1 1 82 82 GLN N N 15 118.510 0.300 . 1 . . . . 82 GLN N . 11142 1 946 . 1 1 82 82 GLN NE2 N 15 111.362 0.300 . 1 . . . . 82 GLN NE2 . 11142 1 947 . 1 1 83 83 LEU H H 1 7.402 0.030 . 1 . . . . 83 LEU H . 11142 1 948 . 1 1 83 83 LEU HA H 1 3.838 0.030 . 1 . . . . 83 LEU HA . 11142 1 949 . 1 1 83 83 LEU HB2 H 1 1.496 0.030 . 2 . . . . 83 LEU HB2 . 11142 1 950 . 1 1 83 83 LEU HB3 H 1 1.389 0.030 . 2 . . . . 83 LEU HB3 . 11142 1 951 . 1 1 83 83 LEU HD11 H 1 0.731 0.030 . 1 . . . . 83 LEU HD1 . 11142 1 952 . 1 1 83 83 LEU HD12 H 1 0.731 0.030 . 1 . . . . 83 LEU HD1 . 11142 1 953 . 1 1 83 83 LEU HD13 H 1 0.731 0.030 . 1 . . . . 83 LEU HD1 . 11142 1 954 . 1 1 83 83 LEU HD21 H 1 0.650 0.030 . 1 . . . . 83 LEU HD2 . 11142 1 955 . 1 1 83 83 LEU HD22 H 1 0.650 0.030 . 1 . . . . 83 LEU HD2 . 11142 1 956 . 1 1 83 83 LEU HD23 H 1 0.650 0.030 . 1 . . . . 83 LEU HD2 . 11142 1 957 . 1 1 83 83 LEU HG H 1 1.530 0.030 . 1 . . . . 83 LEU HG . 11142 1 958 . 1 1 83 83 LEU C C 13 174.977 0.300 . 1 . . . . 83 LEU C . 11142 1 959 . 1 1 83 83 LEU CA C 13 53.737 0.300 . 1 . . . . 83 LEU CA . 11142 1 960 . 1 1 83 83 LEU CB C 13 40.402 0.300 . 1 . . . . 83 LEU CB . 11142 1 961 . 1 1 83 83 LEU CD1 C 13 23.068 0.300 . 2 . . . . 83 LEU CD1 . 11142 1 962 . 1 1 83 83 LEU CD2 C 13 19.411 0.300 . 2 . . . . 83 LEU CD2 . 11142 1 963 . 1 1 83 83 LEU CG C 13 24.117 0.300 . 1 . . . . 83 LEU CG . 11142 1 964 . 1 1 83 83 LEU N N 15 120.793 0.300 . 1 . . . . 83 LEU N . 11142 1 965 . 1 1 84 84 LEU H H 1 7.508 0.030 . 1 . . . . 84 LEU H . 11142 1 966 . 1 1 84 84 LEU HA H 1 4.075 0.030 . 1 . . . . 84 LEU HA . 11142 1 967 . 1 1 84 84 LEU HB2 H 1 0.433 0.030 . 2 . . . . 84 LEU HB2 . 11142 1 968 . 1 1 84 84 LEU HB3 H 1 0.541 0.030 . 2 . . . . 84 LEU HB3 . 11142 1 969 . 1 1 84 84 LEU HD11 H 1 0.388 0.030 . 1 . . . . 84 LEU HD1 . 11142 1 970 . 1 1 84 84 LEU HD12 H 1 0.388 0.030 . 1 . . . . 84 LEU HD1 . 11142 1 971 . 1 1 84 84 LEU HD13 H 1 0.388 0.030 . 1 . . . . 84 LEU HD1 . 11142 1 972 . 1 1 84 84 LEU HD21 H 1 0.529 0.030 . 1 . . . . 84 LEU HD2 . 11142 1 973 . 1 1 84 84 LEU HD22 H 1 0.529 0.030 . 1 . . . . 84 LEU HD2 . 11142 1 974 . 1 1 84 84 LEU HD23 H 1 0.529 0.030 . 1 . . . . 84 LEU HD2 . 11142 1 975 . 1 1 84 84 LEU HG H 1 0.725 0.030 . 1 . . . . 84 LEU HG . 11142 1 976 . 1 1 84 84 LEU C C 13 172.378 0.300 . 1 . . . . 84 LEU C . 11142 1 977 . 1 1 84 84 LEU CA C 13 49.776 0.300 . 1 . . . . 84 LEU CA . 11142 1 978 . 1 1 84 84 LEU CB C 13 39.106 0.300 . 1 . . . . 84 LEU CB . 11142 1 979 . 1 1 84 84 LEU CD1 C 13 24.100 0.300 . 2 . . . . 84 LEU CD1 . 11142 1 980 . 1 1 84 84 LEU CD2 C 13 20.471 0.300 . 2 . . . . 84 LEU CD2 . 11142 1 981 . 1 1 84 84 LEU CG C 13 24.088 0.300 . 1 . . . . 84 LEU CG . 11142 1 982 . 1 1 84 84 LEU N N 15 116.281 0.300 . 1 . . . . 84 LEU N . 11142 1 983 . 1 1 85 85 ASP H H 1 8.583 0.030 . 1 . . . . 85 ASP H . 11142 1 984 . 1 1 85 85 ASP HA H 1 4.341 0.030 . 1 . . . . 85 ASP HA . 11142 1 985 . 1 1 85 85 ASP HB2 H 1 2.395 0.030 . 2 . . . . 85 ASP HB2 . 11142 1 986 . 1 1 85 85 ASP HB3 H 1 2.620 0.030 . 2 . . . . 85 ASP HB3 . 11142 1 987 . 1 1 85 85 ASP C C 13 174.594 0.300 . 1 . . . . 85 ASP C . 11142 1 988 . 1 1 85 85 ASP CA C 13 51.030 0.300 . 1 . . . . 85 ASP CA . 11142 1 989 . 1 1 85 85 ASP CB C 13 40.159 0.300 . 1 . . . . 85 ASP CB . 11142 1 990 . 1 1 85 85 ASP N N 15 123.839 0.300 . 1 . . . . 85 ASP N . 11142 1 991 . 1 1 86 86 THR H H 1 8.368 0.030 . 1 . . . . 86 THR H . 11142 1 992 . 1 1 86 86 THR HA H 1 4.012 0.030 . 1 . . . . 86 THR HA . 11142 1 993 . 1 1 86 86 THR HB H 1 3.242 0.030 . 1 . . . . 86 THR HB . 11142 1 994 . 1 1 86 86 THR HG21 H 1 1.151 0.030 . 1 . . . . 86 THR HG2 . 11142 1 995 . 1 1 86 86 THR HG22 H 1 1.151 0.030 . 1 . . . . 86 THR HG2 . 11142 1 996 . 1 1 86 86 THR HG23 H 1 1.151 0.030 . 1 . . . . 86 THR HG2 . 11142 1 997 . 1 1 86 86 THR C C 13 172.692 0.300 . 1 . . . . 86 THR C . 11142 1 998 . 1 1 86 86 THR CA C 13 66.221 0.300 . 1 . . . . 86 THR CA . 11142 1 999 . 1 1 86 86 THR CB C 13 65.779 0.300 . 1 . . . . 86 THR CB . 11142 1 1000 . 1 1 86 86 THR CG2 C 13 21.145 0.300 . 1 . . . . 86 THR CG2 . 11142 1 1001 . 1 1 86 86 THR N N 15 125.207 0.300 . 1 . . . . 86 THR N . 11142 1 1002 . 1 1 87 87 GLU H H 1 8.095 0.030 . 1 . . . . 87 GLU H . 11142 1 1003 . 1 1 87 87 GLU HA H 1 3.797 0.030 . 1 . . . . 87 GLU HA . 11142 1 1004 . 1 1 87 87 GLU HB2 H 1 1.923 0.030 . 1 . . . . 87 GLU HB2 . 11142 1 1005 . 1 1 87 87 GLU HB3 H 1 1.923 0.030 . 1 . . . . 87 GLU HB3 . 11142 1 1006 . 1 1 87 87 GLU HG2 H 1 2.237 0.030 . 1 . . . . 87 GLU HG2 . 11142 1 1007 . 1 1 87 87 GLU HG3 H 1 2.237 0.030 . 1 . . . . 87 GLU HG3 . 11142 1 1008 . 1 1 87 87 GLU C C 13 177.269 0.300 . 1 . . . . 87 GLU C . 11142 1 1009 . 1 1 87 87 GLU CA C 13 56.806 0.300 . 1 . . . . 87 GLU CA . 11142 1 1010 . 1 1 87 87 GLU CB C 13 26.131 0.300 . 1 . . . . 87 GLU CB . 11142 1 1011 . 1 1 87 87 GLU CG C 13 33.347 0.300 . 1 . . . . 87 GLU CG . 11142 1 1012 . 1 1 87 87 GLU N N 15 117.928 0.300 . 1 . . . . 87 GLU N . 11142 1 1013 . 1 1 88 88 ASP H H 1 7.624 0.030 . 1 . . . . 88 ASP H . 11142 1 1014 . 1 1 88 88 ASP HA H 1 4.269 0.030 . 1 . . . . 88 ASP HA . 11142 1 1015 . 1 1 88 88 ASP HB2 H 1 2.476 0.030 . 2 . . . . 88 ASP HB2 . 11142 1 1016 . 1 1 88 88 ASP HB3 H 1 2.631 0.030 . 2 . . . . 88 ASP HB3 . 11142 1 1017 . 1 1 88 88 ASP C C 13 175.525 0.300 . 1 . . . . 88 ASP C . 11142 1 1018 . 1 1 88 88 ASP CA C 13 54.795 0.300 . 1 . . . . 88 ASP CA . 11142 1 1019 . 1 1 88 88 ASP CB C 13 38.370 0.300 . 1 . . . . 88 ASP CB . 11142 1 1020 . 1 1 88 88 ASP N N 15 118.943 0.300 . 1 . . . . 88 ASP N . 11142 1 1021 . 1 1 89 89 MET H H 1 7.580 0.030 . 1 . . . . 89 MET H . 11142 1 1022 . 1 1 89 89 MET HA H 1 4.064 0.030 . 1 . . . . 89 MET HA . 11142 1 1023 . 1 1 89 89 MET HB2 H 1 0.607 0.030 . 2 . . . . 89 MET HB2 . 11142 1 1024 . 1 1 89 89 MET HB3 H 1 1.230 0.030 . 2 . . . . 89 MET HB3 . 11142 1 1025 . 1 1 89 89 MET HE1 H 1 1.935 0.030 . 1 . . . . 89 MET HE . 11142 1 1026 . 1 1 89 89 MET HE2 H 1 1.935 0.030 . 1 . . . . 89 MET HE . 11142 1 1027 . 1 1 89 89 MET HE3 H 1 1.935 0.030 . 1 . . . . 89 MET HE . 11142 1 1028 . 1 1 89 89 MET HG2 H 1 2.289 0.030 . 2 . . . . 89 MET HG2 . 11142 1 1029 . 1 1 89 89 MET HG3 H 1 1.826 0.030 . 2 . . . . 89 MET HG3 . 11142 1 1030 . 1 1 89 89 MET C C 13 175.853 0.300 . 1 . . . . 89 MET C . 11142 1 1031 . 1 1 89 89 MET CA C 13 53.349 0.300 . 1 . . . . 89 MET CA . 11142 1 1032 . 1 1 89 89 MET CB C 13 26.880 0.300 . 1 . . . . 89 MET CB . 11142 1 1033 . 1 1 89 89 MET CE C 13 15.567 0.300 . 1 . . . . 89 MET CE . 11142 1 1034 . 1 1 89 89 MET CG C 13 30.709 0.300 . 1 . . . . 89 MET CG . 11142 1 1035 . 1 1 89 89 MET N N 15 115.145 0.300 . 1 . . . . 89 MET N . 11142 1 1036 . 1 1 90 90 VAL H H 1 7.860 0.030 . 1 . . . . 90 VAL H . 11142 1 1037 . 1 1 90 90 VAL HA H 1 3.777 0.030 . 1 . . . . 90 VAL HA . 11142 1 1038 . 1 1 90 90 VAL HB H 1 2.114 0.030 . 1 . . . . 90 VAL HB . 11142 1 1039 . 1 1 90 90 VAL HG11 H 1 0.904 0.030 . 1 . . . . 90 VAL HG1 . 11142 1 1040 . 1 1 90 90 VAL HG12 H 1 0.904 0.030 . 1 . . . . 90 VAL HG1 . 11142 1 1041 . 1 1 90 90 VAL HG13 H 1 0.904 0.030 . 1 . . . . 90 VAL HG1 . 11142 1 1042 . 1 1 90 90 VAL HG21 H 1 0.969 0.030 . 1 . . . . 90 VAL HG2 . 11142 1 1043 . 1 1 90 90 VAL HG22 H 1 0.969 0.030 . 1 . . . . 90 VAL HG2 . 11142 1 1044 . 1 1 90 90 VAL HG23 H 1 0.969 0.030 . 1 . . . . 90 VAL HG2 . 11142 1 1045 . 1 1 90 90 VAL C C 13 175.491 0.300 . 1 . . . . 90 VAL C . 11142 1 1046 . 1 1 90 90 VAL CA C 13 62.445 0.300 . 1 . . . . 90 VAL CA . 11142 1 1047 . 1 1 90 90 VAL CB C 13 29.586 0.300 . 1 . . . . 90 VAL CB . 11142 1 1048 . 1 1 90 90 VAL CG1 C 13 19.375 0.300 . 2 . . . . 90 VAL CG1 . 11142 1 1049 . 1 1 90 90 VAL CG2 C 13 20.653 0.300 . 2 . . . . 90 VAL CG2 . 11142 1 1050 . 1 1 90 90 VAL N N 15 114.370 0.300 . 1 . . . . 90 VAL N . 11142 1 1051 . 1 1 91 91 ARG H H 1 7.578 0.030 . 1 . . . . 91 ARG H . 11142 1 1052 . 1 1 91 91 ARG HA H 1 4.041 0.030 . 1 . . . . 91 ARG HA . 11142 1 1053 . 1 1 91 91 ARG HB2 H 1 1.812 0.030 . 2 . . . . 91 ARG HB2 . 11142 1 1054 . 1 1 91 91 ARG HB3 H 1 1.870 0.030 . 2 . . . . 91 ARG HB3 . 11142 1 1055 . 1 1 91 91 ARG HD2 H 1 3.156 0.030 . 2 . . . . 91 ARG HD2 . 11142 1 1056 . 1 1 91 91 ARG HD3 H 1 3.107 0.030 . 2 . . . . 91 ARG HD3 . 11142 1 1057 . 1 1 91 91 ARG HG2 H 1 1.659 0.030 . 2 . . . . 91 ARG HG2 . 11142 1 1058 . 1 1 91 91 ARG HG3 H 1 1.609 0.030 . 2 . . . . 91 ARG HG3 . 11142 1 1059 . 1 1 91 91 ARG C C 13 174.517 0.300 . 1 . . . . 91 ARG C . 11142 1 1060 . 1 1 91 91 ARG CA C 13 55.993 0.300 . 1 . . . . 91 ARG CA . 11142 1 1061 . 1 1 91 91 ARG CB C 13 28.659 0.300 . 1 . . . . 91 ARG CB . 11142 1 1062 . 1 1 91 91 ARG CD C 13 41.013 0.300 . 1 . . . . 91 ARG CD . 11142 1 1063 . 1 1 91 91 ARG CG C 13 25.516 0.300 . 1 . . . . 91 ARG CG . 11142 1 1064 . 1 1 91 91 ARG N N 15 119.150 0.300 . 1 . . . . 91 ARG N . 11142 1 1065 . 1 1 92 92 LEU H H 1 7.530 0.030 . 1 . . . . 92 LEU H . 11142 1 1066 . 1 1 92 92 LEU HA H 1 4.281 0.030 . 1 . . . . 92 LEU HA . 11142 1 1067 . 1 1 92 92 LEU HB2 H 1 1.625 0.030 . 2 . . . . 92 LEU HB2 . 11142 1 1068 . 1 1 92 92 LEU HB3 H 1 1.177 0.030 . 2 . . . . 92 LEU HB3 . 11142 1 1069 . 1 1 92 92 LEU HD11 H 1 0.793 0.030 . 1 . . . . 92 LEU HD1 . 11142 1 1070 . 1 1 92 92 LEU HD12 H 1 0.793 0.030 . 1 . . . . 92 LEU HD1 . 11142 1 1071 . 1 1 92 92 LEU HD13 H 1 0.793 0.030 . 1 . . . . 92 LEU HD1 . 11142 1 1072 . 1 1 92 92 LEU HD21 H 1 0.808 0.030 . 1 . . . . 92 LEU HD2 . 11142 1 1073 . 1 1 92 92 LEU HD22 H 1 0.808 0.030 . 1 . . . . 92 LEU HD2 . 11142 1 1074 . 1 1 92 92 LEU HD23 H 1 0.808 0.030 . 1 . . . . 92 LEU HD2 . 11142 1 1075 . 1 1 92 92 LEU HG H 1 1.705 0.030 . 1 . . . . 92 LEU HG . 11142 1 1076 . 1 1 92 92 LEU C C 13 174.640 0.300 . 1 . . . . 92 LEU C . 11142 1 1077 . 1 1 92 92 LEU CA C 13 52.045 0.300 . 1 . . . . 92 LEU CA . 11142 1 1078 . 1 1 92 92 LEU CB C 13 40.309 0.300 . 1 . . . . 92 LEU CB . 11142 1 1079 . 1 1 92 92 LEU CD1 C 13 23.559 0.300 . 2 . . . . 92 LEU CD1 . 11142 1 1080 . 1 1 92 92 LEU CD2 C 13 20.567 0.300 . 2 . . . . 92 LEU CD2 . 11142 1 1081 . 1 1 92 92 LEU CG C 13 24.313 0.300 . 1 . . . . 92 LEU CG . 11142 1 1082 . 1 1 92 92 LEU N N 15 119.470 0.300 . 1 . . . . 92 LEU N . 11142 1 1083 . 1 1 93 93 ARG H H 1 8.371 0.030 . 1 . . . . 93 ARG H . 11142 1 1084 . 1 1 93 93 ARG HA H 1 4.092 0.030 . 1 . . . . 93 ARG HA . 11142 1 1085 . 1 1 93 93 ARG HB2 H 1 1.815 0.030 . 1 . . . . 93 ARG HB2 . 11142 1 1086 . 1 1 93 93 ARG HB3 H 1 1.815 0.030 . 1 . . . . 93 ARG HB3 . 11142 1 1087 . 1 1 93 93 ARG HD2 H 1 3.182 0.030 . 1 . . . . 93 ARG HD2 . 11142 1 1088 . 1 1 93 93 ARG HD3 H 1 3.182 0.030 . 1 . . . . 93 ARG HD3 . 11142 1 1089 . 1 1 93 93 ARG HG2 H 1 1.613 0.030 . 2 . . . . 93 ARG HG2 . 11142 1 1090 . 1 1 93 93 ARG HG3 H 1 1.680 0.030 . 2 . . . . 93 ARG HG3 . 11142 1 1091 . 1 1 93 93 ARG C C 13 174.402 0.300 . 1 . . . . 93 ARG C . 11142 1 1092 . 1 1 93 93 ARG CA C 13 55.676 0.300 . 1 . . . . 93 ARG CA . 11142 1 1093 . 1 1 93 93 ARG CB C 13 27.832 0.300 . 1 . . . . 93 ARG CB . 11142 1 1094 . 1 1 93 93 ARG CD C 13 40.766 0.300 . 1 . . . . 93 ARG CD . 11142 1 1095 . 1 1 93 93 ARG CG C 13 24.916 0.300 . 1 . . . . 93 ARG CG . 11142 1 1096 . 1 1 93 93 ARG N N 15 121.718 0.300 . 1 . . . . 93 ARG N . 11142 1 1097 . 1 1 94 94 GLU H H 1 7.612 0.030 . 1 . . . . 94 GLU H . 11142 1 1098 . 1 1 94 94 GLU HA H 1 4.681 0.030 . 1 . . . . 94 GLU HA . 11142 1 1099 . 1 1 94 94 GLU HB2 H 1 1.813 0.030 . 2 . . . . 94 GLU HB2 . 11142 1 1100 . 1 1 94 94 GLU HB3 H 1 1.994 0.030 . 2 . . . . 94 GLU HB3 . 11142 1 1101 . 1 1 94 94 GLU HG2 H 1 2.094 0.030 . 2 . . . . 94 GLU HG2 . 11142 1 1102 . 1 1 94 94 GLU HG3 H 1 2.216 0.030 . 2 . . . . 94 GLU HG3 . 11142 1 1103 . 1 1 94 94 GLU C C 13 170.450 0.300 . 1 . . . . 94 GLU C . 11142 1 1104 . 1 1 94 94 GLU CA C 13 50.738 0.300 . 1 . . . . 94 GLU CA . 11142 1 1105 . 1 1 94 94 GLU CB C 13 28.721 0.300 . 1 . . . . 94 GLU CB . 11142 1 1106 . 1 1 94 94 GLU CG C 13 33.401 0.300 . 1 . . . . 94 GLU CG . 11142 1 1107 . 1 1 94 94 GLU N N 15 115.197 0.300 . 1 . . . . 94 GLU N . 11142 1 1108 . 1 1 95 95 PRO HA H 1 4.378 0.030 . 1 . . . . 95 PRO HA . 11142 1 1109 . 1 1 95 95 PRO HB2 H 1 2.103 0.030 . 2 . . . . 95 PRO HB2 . 11142 1 1110 . 1 1 95 95 PRO HB3 H 1 1.710 0.030 . 2 . . . . 95 PRO HB3 . 11142 1 1111 . 1 1 95 95 PRO HD2 H 1 3.411 0.030 . 2 . . . . 95 PRO HD2 . 11142 1 1112 . 1 1 95 95 PRO HD3 H 1 3.740 0.030 . 2 . . . . 95 PRO HD3 . 11142 1 1113 . 1 1 95 95 PRO HG2 H 1 1.943 0.030 . 1 . . . . 95 PRO HG2 . 11142 1 1114 . 1 1 95 95 PRO HG3 H 1 1.943 0.030 . 1 . . . . 95 PRO HG3 . 11142 1 1115 . 1 1 95 95 PRO C C 13 173.134 0.300 . 1 . . . . 95 PRO C . 11142 1 1116 . 1 1 95 95 PRO CA C 13 59.792 0.300 . 1 . . . . 95 PRO CA . 11142 1 1117 . 1 1 95 95 PRO CB C 13 30.297 0.300 . 1 . . . . 95 PRO CB . 11142 1 1118 . 1 1 95 95 PRO CD C 13 48.091 0.300 . 1 . . . . 95 PRO CD . 11142 1 1119 . 1 1 95 95 PRO CG C 13 25.022 0.300 . 1 . . . . 95 PRO CG . 11142 1 1120 . 1 1 96 96 ASP H H 1 8.552 0.030 . 1 . . . . 96 ASP H . 11142 1 1121 . 1 1 96 96 ASP HA H 1 4.434 0.030 . 1 . . . . 96 ASP HA . 11142 1 1122 . 1 1 96 96 ASP HB2 H 1 2.707 0.030 . 2 . . . . 96 ASP HB2 . 11142 1 1123 . 1 1 96 96 ASP HB3 H 1 2.570 0.030 . 2 . . . . 96 ASP HB3 . 11142 1 1124 . 1 1 96 96 ASP C C 13 175.730 0.300 . 1 . . . . 96 ASP C . 11142 1 1125 . 1 1 96 96 ASP CA C 13 52.010 0.300 . 1 . . . . 96 ASP CA . 11142 1 1126 . 1 1 96 96 ASP CB C 13 39.766 0.300 . 1 . . . . 96 ASP CB . 11142 1 1127 . 1 1 96 96 ASP N N 15 121.201 0.300 . 1 . . . . 96 ASP N . 11142 1 1128 . 1 1 97 97 TRP H H 1 8.714 0.030 . 1 . . . . 97 TRP H . 11142 1 1129 . 1 1 97 97 TRP HA H 1 4.835 0.030 . 1 . . . . 97 TRP HA . 11142 1 1130 . 1 1 97 97 TRP HB2 H 1 3.024 0.030 . 2 . . . . 97 TRP HB2 . 11142 1 1131 . 1 1 97 97 TRP HB3 H 1 3.450 0.030 . 2 . . . . 97 TRP HB3 . 11142 1 1132 . 1 1 97 97 TRP HD1 H 1 7.438 0.030 . 1 . . . . 97 TRP HD1 . 11142 1 1133 . 1 1 97 97 TRP HE1 H 1 10.207 0.030 . 1 . . . . 97 TRP HE1 . 11142 1 1134 . 1 1 97 97 TRP HE3 H 1 7.152 0.030 . 1 . . . . 97 TRP HE3 . 11142 1 1135 . 1 1 97 97 TRP HH2 H 1 6.903 0.030 . 1 . . . . 97 TRP HH2 . 11142 1 1136 . 1 1 97 97 TRP HZ2 H 1 7.386 0.030 . 1 . . . . 97 TRP HZ2 . 11142 1 1137 . 1 1 97 97 TRP HZ3 H 1 6.188 0.030 . 1 . . . . 97 TRP HZ3 . 11142 1 1138 . 1 1 97 97 TRP C C 13 175.001 0.300 . 1 . . . . 97 TRP C . 11142 1 1139 . 1 1 97 97 TRP CA C 13 56.011 0.300 . 1 . . . . 97 TRP CA . 11142 1 1140 . 1 1 97 97 TRP CB C 13 25.809 0.300 . 1 . . . . 97 TRP CB . 11142 1 1141 . 1 1 97 97 TRP CD1 C 13 125.513 0.300 . 1 . . . . 97 TRP CD1 . 11142 1 1142 . 1 1 97 97 TRP CE3 C 13 118.609 0.300 . 1 . . . . 97 TRP CE3 . 11142 1 1143 . 1 1 97 97 TRP CH2 C 13 121.714 0.300 . 1 . . . . 97 TRP CH2 . 11142 1 1144 . 1 1 97 97 TRP CZ2 C 13 112.673 0.300 . 1 . . . . 97 TRP CZ2 . 11142 1 1145 . 1 1 97 97 TRP CZ3 C 13 118.601 0.300 . 1 . . . . 97 TRP CZ3 . 11142 1 1146 . 1 1 97 97 TRP N N 15 128.207 0.300 . 1 . . . . 97 TRP N . 11142 1 1147 . 1 1 97 97 TRP NE1 N 15 129.810 0.300 . 1 . . . . 97 TRP NE1 . 11142 1 1148 . 1 1 98 98 LYS H H 1 6.974 0.030 . 1 . . . . 98 LYS H . 11142 1 1149 . 1 1 98 98 LYS HA H 1 2.842 0.030 . 1 . . . . 98 LYS HA . 11142 1 1150 . 1 1 98 98 LYS HB2 H 1 1.157 0.030 . 2 . . . . 98 LYS HB2 . 11142 1 1151 . 1 1 98 98 LYS HB3 H 1 0.886 0.030 . 2 . . . . 98 LYS HB3 . 11142 1 1152 . 1 1 98 98 LYS HD2 H 1 1.208 0.030 . 1 . . . . 98 LYS HD2 . 11142 1 1153 . 1 1 98 98 LYS HD3 H 1 1.208 0.030 . 1 . . . . 98 LYS HD3 . 11142 1 1154 . 1 1 98 98 LYS HE2 H 1 2.687 0.030 . 1 . . . . 98 LYS HE2 . 11142 1 1155 . 1 1 98 98 LYS HE3 H 1 2.687 0.030 . 1 . . . . 98 LYS HE3 . 11142 1 1156 . 1 1 98 98 LYS HG2 H 1 0.079 0.030 . 2 . . . . 98 LYS HG2 . 11142 1 1157 . 1 1 98 98 LYS HG3 H 1 0.137 0.030 . 2 . . . . 98 LYS HG3 . 11142 1 1158 . 1 1 98 98 LYS C C 13 177.735 0.300 . 1 . . . . 98 LYS C . 11142 1 1159 . 1 1 98 98 LYS CA C 13 57.367 0.300 . 1 . . . . 98 LYS CA . 11142 1 1160 . 1 1 98 98 LYS CB C 13 28.576 0.300 . 1 . . . . 98 LYS CB . 11142 1 1161 . 1 1 98 98 LYS CD C 13 26.310 0.300 . 1 . . . . 98 LYS CD . 11142 1 1162 . 1 1 98 98 LYS CE C 13 39.109 0.300 . 1 . . . . 98 LYS CE . 11142 1 1163 . 1 1 98 98 LYS CG C 13 21.552 0.300 . 1 . . . . 98 LYS CG . 11142 1 1164 . 1 1 98 98 LYS N N 15 121.111 0.300 . 1 . . . . 98 LYS N . 11142 1 1165 . 1 1 99 99 CYS H H 1 7.379 0.030 . 1 . . . . 99 CYS H . 11142 1 1166 . 1 1 99 99 CYS HA H 1 4.024 0.030 . 1 . . . . 99 CYS HA . 11142 1 1167 . 1 1 99 99 CYS HB2 H 1 2.836 0.030 . 1 . . . . 99 CYS HB2 . 11142 1 1168 . 1 1 99 99 CYS HB3 H 1 2.836 0.030 . 1 . . . . 99 CYS HB3 . 11142 1 1169 . 1 1 99 99 CYS C C 13 174.609 0.300 . 1 . . . . 99 CYS C . 11142 1 1170 . 1 1 99 99 CYS CA C 13 59.635 0.300 . 1 . . . . 99 CYS CA . 11142 1 1171 . 1 1 99 99 CYS CB C 13 24.033 0.300 . 1 . . . . 99 CYS CB . 11142 1 1172 . 1 1 99 99 CYS N N 15 118.849 0.300 . 1 . . . . 99 CYS N . 11142 1 1173 . 1 1 100 100 VAL H H 1 7.413 0.030 . 1 . . . . 100 VAL H . 11142 1 1174 . 1 1 100 100 VAL HA H 1 3.454 0.030 . 1 . . . . 100 VAL HA . 11142 1 1175 . 1 1 100 100 VAL HB H 1 2.599 0.030 . 1 . . . . 100 VAL HB . 11142 1 1176 . 1 1 100 100 VAL HG11 H 1 0.193 0.030 . 1 . . . . 100 VAL HG1 . 11142 1 1177 . 1 1 100 100 VAL HG12 H 1 0.193 0.030 . 1 . . . . 100 VAL HG1 . 11142 1 1178 . 1 1 100 100 VAL HG13 H 1 0.193 0.030 . 1 . . . . 100 VAL HG1 . 11142 1 1179 . 1 1 100 100 VAL HG21 H 1 0.970 0.030 . 1 . . . . 100 VAL HG2 . 11142 1 1180 . 1 1 100 100 VAL HG22 H 1 0.970 0.030 . 1 . . . . 100 VAL HG2 . 11142 1 1181 . 1 1 100 100 VAL HG23 H 1 0.970 0.030 . 1 . . . . 100 VAL HG2 . 11142 1 1182 . 1 1 100 100 VAL C C 13 174.792 0.300 . 1 . . . . 100 VAL C . 11142 1 1183 . 1 1 100 100 VAL CA C 13 65.350 0.300 . 1 . . . . 100 VAL CA . 11142 1 1184 . 1 1 100 100 VAL CB C 13 29.435 0.300 . 1 . . . . 100 VAL CB . 11142 1 1185 . 1 1 100 100 VAL CG1 C 13 18.713 0.300 . 2 . . . . 100 VAL CG1 . 11142 1 1186 . 1 1 100 100 VAL CG2 C 13 20.663 0.300 . 2 . . . . 100 VAL CG2 . 11142 1 1187 . 1 1 100 100 VAL N N 15 122.338 0.300 . 1 . . . . 100 VAL N . 11142 1 1188 . 1 1 101 101 TYR H H 1 8.871 0.030 . 1 . . . . 101 TYR H . 11142 1 1189 . 1 1 101 101 TYR HA H 1 3.350 0.030 . 1 . . . . 101 TYR HA . 11142 1 1190 . 1 1 101 101 TYR HB2 H 1 2.636 0.030 . 2 . . . . 101 TYR HB2 . 11142 1 1191 . 1 1 101 101 TYR HB3 H 1 2.759 0.030 . 2 . . . . 101 TYR HB3 . 11142 1 1192 . 1 1 101 101 TYR HD1 H 1 6.316 0.030 . 1 . . . . 101 TYR HD1 . 11142 1 1193 . 1 1 101 101 TYR HD2 H 1 6.316 0.030 . 1 . . . . 101 TYR HD2 . 11142 1 1194 . 1 1 101 101 TYR HE1 H 1 6.527 0.030 . 1 . . . . 101 TYR HE1 . 11142 1 1195 . 1 1 101 101 TYR HE2 H 1 6.527 0.030 . 1 . . . . 101 TYR HE2 . 11142 1 1196 . 1 1 101 101 TYR C C 13 174.234 0.300 . 1 . . . . 101 TYR C . 11142 1 1197 . 1 1 101 101 TYR CA C 13 58.743 0.300 . 1 . . . . 101 TYR CA . 11142 1 1198 . 1 1 101 101 TYR CB C 13 37.012 0.300 . 1 . . . . 101 TYR CB . 11142 1 1199 . 1 1 101 101 TYR CD1 C 13 130.368 0.300 . 1 . . . . 101 TYR CD1 . 11142 1 1200 . 1 1 101 101 TYR CD2 C 13 130.368 0.300 . 1 . . . . 101 TYR CD2 . 11142 1 1201 . 1 1 101 101 TYR CE1 C 13 115.924 0.300 . 1 . . . . 101 TYR CE1 . 11142 1 1202 . 1 1 101 101 TYR CE2 C 13 115.924 0.300 . 1 . . . . 101 TYR CE2 . 11142 1 1203 . 1 1 101 101 TYR N N 15 118.760 0.300 . 1 . . . . 101 TYR N . 11142 1 1204 . 1 1 102 102 THR H H 1 7.748 0.030 . 1 . . . . 102 THR H . 11142 1 1205 . 1 1 102 102 THR HA H 1 3.480 0.030 . 1 . . . . 102 THR HA . 11142 1 1206 . 1 1 102 102 THR HB H 1 4.045 0.030 . 1 . . . . 102 THR HB . 11142 1 1207 . 1 1 102 102 THR HG21 H 1 1.038 0.030 . 1 . . . . 102 THR HG2 . 11142 1 1208 . 1 1 102 102 THR HG22 H 1 1.038 0.030 . 1 . . . . 102 THR HG2 . 11142 1 1209 . 1 1 102 102 THR HG23 H 1 1.038 0.030 . 1 . . . . 102 THR HG2 . 11142 1 1210 . 1 1 102 102 THR C C 13 173.944 0.300 . 1 . . . . 102 THR C . 11142 1 1211 . 1 1 102 102 THR CA C 13 64.591 0.300 . 1 . . . . 102 THR CA . 11142 1 1212 . 1 1 102 102 THR CB C 13 66.415 0.300 . 1 . . . . 102 THR CB . 11142 1 1213 . 1 1 102 102 THR CG2 C 13 19.034 0.300 . 1 . . . . 102 THR CG2 . 11142 1 1214 . 1 1 102 102 THR N N 15 113.608 0.300 . 1 . . . . 102 THR N . 11142 1 1215 . 1 1 103 103 TYR H H 1 7.578 0.030 . 1 . . . . 103 TYR H . 11142 1 1216 . 1 1 103 103 TYR HA H 1 3.895 0.030 . 1 . . . . 103 TYR HA . 11142 1 1217 . 1 1 103 103 TYR HB2 H 1 3.019 0.030 . 2 . . . . 103 TYR HB2 . 11142 1 1218 . 1 1 103 103 TYR HB3 H 1 2.713 0.030 . 2 . . . . 103 TYR HB3 . 11142 1 1219 . 1 1 103 103 TYR HD1 H 1 6.665 0.030 . 1 . . . . 103 TYR HD1 . 11142 1 1220 . 1 1 103 103 TYR HD2 H 1 6.665 0.030 . 1 . . . . 103 TYR HD2 . 11142 1 1221 . 1 1 103 103 TYR HE1 H 1 6.712 0.030 . 1 . . . . 103 TYR HE1 . 11142 1 1222 . 1 1 103 103 TYR HE2 H 1 6.712 0.030 . 1 . . . . 103 TYR HE2 . 11142 1 1223 . 1 1 103 103 TYR C C 13 173.706 0.300 . 1 . . . . 103 TYR C . 11142 1 1224 . 1 1 103 103 TYR CA C 13 60.118 0.300 . 1 . . . . 103 TYR CA . 11142 1 1225 . 1 1 103 103 TYR CB C 13 36.283 0.300 . 1 . . . . 103 TYR CB . 11142 1 1226 . 1 1 103 103 TYR CD1 C 13 129.448 0.300 . 1 . . . . 103 TYR CD1 . 11142 1 1227 . 1 1 103 103 TYR CD2 C 13 129.448 0.300 . 1 . . . . 103 TYR CD2 . 11142 1 1228 . 1 1 103 103 TYR CE1 C 13 115.363 0.300 . 1 . . . . 103 TYR CE1 . 11142 1 1229 . 1 1 103 103 TYR CE2 C 13 115.363 0.300 . 1 . . . . 103 TYR CE2 . 11142 1 1230 . 1 1 103 103 TYR N N 15 122.357 0.300 . 1 . . . . 103 TYR N . 11142 1 1231 . 1 1 104 104 ILE H H 1 8.520 0.030 . 1 . . . . 104 ILE H . 11142 1 1232 . 1 1 104 104 ILE HA H 1 3.594 0.030 . 1 . . . . 104 ILE HA . 11142 1 1233 . 1 1 104 104 ILE HB H 1 1.774 0.030 . 1 . . . . 104 ILE HB . 11142 1 1234 . 1 1 104 104 ILE HD11 H 1 0.424 0.030 . 1 . . . . 104 ILE HD1 . 11142 1 1235 . 1 1 104 104 ILE HD12 H 1 0.424 0.030 . 1 . . . . 104 ILE HD1 . 11142 1 1236 . 1 1 104 104 ILE HD13 H 1 0.424 0.030 . 1 . . . . 104 ILE HD1 . 11142 1 1237 . 1 1 104 104 ILE HG12 H 1 1.291 0.030 . 2 . . . . 104 ILE HG12 . 11142 1 1238 . 1 1 104 104 ILE HG13 H 1 1.376 0.030 . 2 . . . . 104 ILE HG13 . 11142 1 1239 . 1 1 104 104 ILE HG21 H 1 1.059 0.030 . 1 . . . . 104 ILE HG2 . 11142 1 1240 . 1 1 104 104 ILE HG22 H 1 1.059 0.030 . 1 . . . . 104 ILE HG2 . 11142 1 1241 . 1 1 104 104 ILE HG23 H 1 1.059 0.030 . 1 . . . . 104 ILE HG2 . 11142 1 1242 . 1 1 104 104 ILE C C 13 175.551 0.300 . 1 . . . . 104 ILE C . 11142 1 1243 . 1 1 104 104 ILE CA C 13 61.403 0.300 . 1 . . . . 104 ILE CA . 11142 1 1244 . 1 1 104 104 ILE CB C 13 33.635 0.300 . 1 . . . . 104 ILE CB . 11142 1 1245 . 1 1 104 104 ILE CD1 C 13 9.152 0.300 . 1 . . . . 104 ILE CD1 . 11142 1 1246 . 1 1 104 104 ILE CG1 C 13 26.133 0.300 . 1 . . . . 104 ILE CG1 . 11142 1 1247 . 1 1 104 104 ILE CG2 C 13 16.245 0.300 . 1 . . . . 104 ILE CG2 . 11142 1 1248 . 1 1 104 104 ILE N N 15 119.019 0.300 . 1 . . . . 104 ILE N . 11142 1 1249 . 1 1 105 105 GLN H H 1 8.327 0.030 . 1 . . . . 105 GLN H . 11142 1 1250 . 1 1 105 105 GLN HA H 1 3.593 0.030 . 1 . . . . 105 GLN HA . 11142 1 1251 . 1 1 105 105 GLN HB2 H 1 1.641 0.030 . 1 . . . . 105 GLN HB2 . 11142 1 1252 . 1 1 105 105 GLN HB3 H 1 1.641 0.030 . 1 . . . . 105 GLN HB3 . 11142 1 1253 . 1 1 105 105 GLN HE21 H 1 6.287 0.030 . 2 . . . . 105 GLN HE21 . 11142 1 1254 . 1 1 105 105 GLN HE22 H 1 6.414 0.030 . 2 . . . . 105 GLN HE22 . 11142 1 1255 . 1 1 105 105 GLN HG2 H 1 1.718 0.030 . 2 . . . . 105 GLN HG2 . 11142 1 1256 . 1 1 105 105 GLN HG3 H 1 1.645 0.030 . 2 . . . . 105 GLN HG3 . 11142 1 1257 . 1 1 105 105 GLN C C 13 176.035 0.300 . 1 . . . . 105 GLN C . 11142 1 1258 . 1 1 105 105 GLN CA C 13 57.416 0.300 . 1 . . . . 105 GLN CA . 11142 1 1259 . 1 1 105 105 GLN CB C 13 27.087 0.300 . 1 . . . . 105 GLN CB . 11142 1 1260 . 1 1 105 105 GLN CG C 13 32.358 0.300 . 1 . . . . 105 GLN CG . 11142 1 1261 . 1 1 105 105 GLN N N 15 117.822 0.300 . 1 . . . . 105 GLN N . 11142 1 1262 . 1 1 105 105 GLN NE2 N 15 109.952 0.300 . 1 . . . . 105 GLN NE2 . 11142 1 1263 . 1 1 106 106 GLU H H 1 7.504 0.030 . 1 . . . . 106 GLU H . 11142 1 1264 . 1 1 106 106 GLU HA H 1 4.172 0.030 . 1 . . . . 106 GLU HA . 11142 1 1265 . 1 1 106 106 GLU HB2 H 1 1.854 0.030 . 1 . . . . 106 GLU HB2 . 11142 1 1266 . 1 1 106 106 GLU HB3 H 1 1.854 0.030 . 1 . . . . 106 GLU HB3 . 11142 1 1267 . 1 1 106 106 GLU HG2 H 1 2.158 0.030 . 2 . . . . 106 GLU HG2 . 11142 1 1268 . 1 1 106 106 GLU HG3 H 1 2.296 0.030 . 2 . . . . 106 GLU HG3 . 11142 1 1269 . 1 1 106 106 GLU C C 13 175.597 0.300 . 1 . . . . 106 GLU C . 11142 1 1270 . 1 1 106 106 GLU CA C 13 55.987 0.300 . 1 . . . . 106 GLU CA . 11142 1 1271 . 1 1 106 106 GLU CB C 13 26.343 0.300 . 1 . . . . 106 GLU CB . 11142 1 1272 . 1 1 106 106 GLU CG C 13 33.182 0.300 . 1 . . . . 106 GLU CG . 11142 1 1273 . 1 1 106 106 GLU N N 15 121.616 0.300 . 1 . . . . 106 GLU N . 11142 1 1274 . 1 1 107 107 PHE H H 1 8.763 0.030 . 1 . . . . 107 PHE H . 11142 1 1275 . 1 1 107 107 PHE HA H 1 3.964 0.030 . 1 . . . . 107 PHE HA . 11142 1 1276 . 1 1 107 107 PHE HB2 H 1 3.007 0.030 . 2 . . . . 107 PHE HB2 . 11142 1 1277 . 1 1 107 107 PHE HB3 H 1 2.933 0.030 . 2 . . . . 107 PHE HB3 . 11142 1 1278 . 1 1 107 107 PHE HD1 H 1 7.214 0.030 . 1 . . . . 107 PHE HD1 . 11142 1 1279 . 1 1 107 107 PHE HD2 H 1 7.214 0.030 . 1 . . . . 107 PHE HD2 . 11142 1 1280 . 1 1 107 107 PHE HE1 H 1 7.391 0.030 . 1 . . . . 107 PHE HE1 . 11142 1 1281 . 1 1 107 107 PHE HE2 H 1 7.391 0.030 . 1 . . . . 107 PHE HE2 . 11142 1 1282 . 1 1 107 107 PHE C C 13 174.296 0.300 . 1 . . . . 107 PHE C . 11142 1 1283 . 1 1 107 107 PHE CA C 13 59.873 0.300 . 1 . . . . 107 PHE CA . 11142 1 1284 . 1 1 107 107 PHE CB C 13 36.276 0.300 . 1 . . . . 107 PHE CB . 11142 1 1285 . 1 1 107 107 PHE CD1 C 13 128.864 0.300 . 1 . . . . 107 PHE CD1 . 11142 1 1286 . 1 1 107 107 PHE CD2 C 13 128.864 0.300 . 1 . . . . 107 PHE CD2 . 11142 1 1287 . 1 1 107 107 PHE CE1 C 13 126.558 0.300 . 1 . . . . 107 PHE CE1 . 11142 1 1288 . 1 1 107 107 PHE CE2 C 13 126.558 0.300 . 1 . . . . 107 PHE CE2 . 11142 1 1289 . 1 1 107 107 PHE N N 15 122.663 0.300 . 1 . . . . 107 PHE N . 11142 1 1290 . 1 1 108 108 TYR H H 1 8.822 0.030 . 1 . . . . 108 TYR H . 11142 1 1291 . 1 1 108 108 TYR HA H 1 3.241 0.030 . 1 . . . . 108 TYR HA . 11142 1 1292 . 1 1 108 108 TYR HB2 H 1 2.317 0.030 . 2 . . . . 108 TYR HB2 . 11142 1 1293 . 1 1 108 108 TYR HB3 H 1 2.828 0.030 . 2 . . . . 108 TYR HB3 . 11142 1 1294 . 1 1 108 108 TYR HD1 H 1 5.407 0.030 . 1 . . . . 108 TYR HD1 . 11142 1 1295 . 1 1 108 108 TYR HD2 H 1 5.407 0.030 . 1 . . . . 108 TYR HD2 . 11142 1 1296 . 1 1 108 108 TYR HE1 H 1 5.596 0.030 . 1 . . . . 108 TYR HE1 . 11142 1 1297 . 1 1 108 108 TYR HE2 H 1 5.596 0.030 . 1 . . . . 108 TYR HE2 . 11142 1 1298 . 1 1 108 108 TYR C C 13 174.354 0.300 . 1 . . . . 108 TYR C . 11142 1 1299 . 1 1 108 108 TYR CA C 13 60.161 0.300 . 1 . . . . 108 TYR CA . 11142 1 1300 . 1 1 108 108 TYR CB C 13 35.746 0.300 . 1 . . . . 108 TYR CB . 11142 1 1301 . 1 1 108 108 TYR CD1 C 13 130.296 0.300 . 1 . . . . 108 TYR CD1 . 11142 1 1302 . 1 1 108 108 TYR CD2 C 13 130.296 0.300 . 1 . . . . 108 TYR CD2 . 11142 1 1303 . 1 1 108 108 TYR CE1 C 13 114.512 0.300 . 1 . . . . 108 TYR CE1 . 11142 1 1304 . 1 1 108 108 TYR CE2 C 13 114.512 0.300 . 1 . . . . 108 TYR CE2 . 11142 1 1305 . 1 1 108 108 TYR N N 15 119.207 0.300 . 1 . . . . 108 TYR N . 11142 1 1306 . 1 1 109 109 ARG H H 1 7.976 0.030 . 1 . . . . 109 ARG H . 11142 1 1307 . 1 1 109 109 ARG HA H 1 3.617 0.030 . 1 . . . . 109 ARG HA . 11142 1 1308 . 1 1 109 109 ARG HB2 H 1 1.993 0.030 . 2 . . . . 109 ARG HB2 . 11142 1 1309 . 1 1 109 109 ARG HB3 H 1 1.885 0.030 . 2 . . . . 109 ARG HB3 . 11142 1 1310 . 1 1 109 109 ARG HD2 H 1 3.147 0.030 . 2 . . . . 109 ARG HD2 . 11142 1 1311 . 1 1 109 109 ARG HD3 H 1 2.976 0.030 . 2 . . . . 109 ARG HD3 . 11142 1 1312 . 1 1 109 109 ARG HG2 H 1 1.479 0.030 . 2 . . . . 109 ARG HG2 . 11142 1 1313 . 1 1 109 109 ARG HG3 H 1 1.651 0.030 . 2 . . . . 109 ARG HG3 . 11142 1 1314 . 1 1 109 109 ARG C C 13 177.672 0.300 . 1 . . . . 109 ARG C . 11142 1 1315 . 1 1 109 109 ARG CA C 13 57.686 0.300 . 1 . . . . 109 ARG CA . 11142 1 1316 . 1 1 109 109 ARG CB C 13 27.362 0.300 . 1 . . . . 109 ARG CB . 11142 1 1317 . 1 1 109 109 ARG CD C 13 40.662 0.300 . 1 . . . . 109 ARG CD . 11142 1 1318 . 1 1 109 109 ARG CG C 13 24.857 0.300 . 1 . . . . 109 ARG CG . 11142 1 1319 . 1 1 109 109 ARG N N 15 118.241 0.300 . 1 . . . . 109 ARG N . 11142 1 1320 . 1 1 110 110 CYS H H 1 8.398 0.030 . 1 . . . . 110 CYS H . 11142 1 1321 . 1 1 110 110 CYS HA H 1 3.985 0.030 . 1 . . . . 110 CYS HA . 11142 1 1322 . 1 1 110 110 CYS HB2 H 1 3.160 0.030 . 2 . . . . 110 CYS HB2 . 11142 1 1323 . 1 1 110 110 CYS HB3 H 1 3.062 0.030 . 2 . . . . 110 CYS HB3 . 11142 1 1324 . 1 1 110 110 CYS C C 13 175.529 0.300 . 1 . . . . 110 CYS C . 11142 1 1325 . 1 1 110 110 CYS CA C 13 62.375 0.300 . 1 . . . . 110 CYS CA . 11142 1 1326 . 1 1 110 110 CYS CB C 13 23.957 0.300 . 1 . . . . 110 CYS CB . 11142 1 1327 . 1 1 110 110 CYS N N 15 119.136 0.300 . 1 . . . . 110 CYS N . 11142 1 1328 . 1 1 111 111 LEU H H 1 7.915 0.030 . 1 . . . . 111 LEU H . 11142 1 1329 . 1 1 111 111 LEU HA H 1 3.621 0.030 . 1 . . . . 111 LEU HA . 11142 1 1330 . 1 1 111 111 LEU HB2 H 1 0.545 0.030 . 2 . . . . 111 LEU HB2 . 11142 1 1331 . 1 1 111 111 LEU HB3 H 1 1.454 0.030 . 2 . . . . 111 LEU HB3 . 11142 1 1332 . 1 1 111 111 LEU HD11 H 1 -0.423 0.030 . 1 . . . . 111 LEU HD1 . 11142 1 1333 . 1 1 111 111 LEU HD12 H 1 -0.423 0.030 . 1 . . . . 111 LEU HD1 . 11142 1 1334 . 1 1 111 111 LEU HD13 H 1 -0.423 0.030 . 1 . . . . 111 LEU HD1 . 11142 1 1335 . 1 1 111 111 LEU HD21 H 1 0.111 0.030 . 1 . . . . 111 LEU HD2 . 11142 1 1336 . 1 1 111 111 LEU HD22 H 1 0.111 0.030 . 1 . . . . 111 LEU HD2 . 11142 1 1337 . 1 1 111 111 LEU HD23 H 1 0.111 0.030 . 1 . . . . 111 LEU HD2 . 11142 1 1338 . 1 1 111 111 LEU HG H 1 0.880 0.030 . 1 . . . . 111 LEU HG . 11142 1 1339 . 1 1 111 111 LEU C C 13 177.962 0.300 . 1 . . . . 111 LEU C . 11142 1 1340 . 1 1 111 111 LEU CA C 13 55.394 0.300 . 1 . . . . 111 LEU CA . 11142 1 1341 . 1 1 111 111 LEU CB C 13 39.079 0.300 . 1 . . . . 111 LEU CB . 11142 1 1342 . 1 1 111 111 LEU CD1 C 13 23.039 0.300 . 2 . . . . 111 LEU CD1 . 11142 1 1343 . 1 1 111 111 LEU CD2 C 13 19.857 0.300 . 2 . . . . 111 LEU CD2 . 11142 1 1344 . 1 1 111 111 LEU CG C 13 22.692 0.300 . 1 . . . . 111 LEU CG . 11142 1 1345 . 1 1 111 111 LEU N N 15 120.451 0.300 . 1 . . . . 111 LEU N . 11142 1 1346 . 1 1 112 112 VAL H H 1 8.065 0.030 . 1 . . . . 112 VAL H . 11142 1 1347 . 1 1 112 112 VAL HA H 1 3.677 0.030 . 1 . . . . 112 VAL HA . 11142 1 1348 . 1 1 112 112 VAL HB H 1 1.994 0.030 . 1 . . . . 112 VAL HB . 11142 1 1349 . 1 1 112 112 VAL HG11 H 1 0.727 0.030 . 1 . . . . 112 VAL HG1 . 11142 1 1350 . 1 1 112 112 VAL HG12 H 1 0.727 0.030 . 1 . . . . 112 VAL HG1 . 11142 1 1351 . 1 1 112 112 VAL HG13 H 1 0.727 0.030 . 1 . . . . 112 VAL HG1 . 11142 1 1352 . 1 1 112 112 VAL HG21 H 1 0.337 0.030 . 1 . . . . 112 VAL HG2 . 11142 1 1353 . 1 1 112 112 VAL HG22 H 1 0.337 0.030 . 1 . . . . 112 VAL HG2 . 11142 1 1354 . 1 1 112 112 VAL HG23 H 1 0.337 0.030 . 1 . . . . 112 VAL HG2 . 11142 1 1355 . 1 1 112 112 VAL C C 13 178.826 0.300 . 1 . . . . 112 VAL C . 11142 1 1356 . 1 1 112 112 VAL CA C 13 63.520 0.300 . 1 . . . . 112 VAL CA . 11142 1 1357 . 1 1 112 112 VAL CB C 13 29.190 0.300 . 1 . . . . 112 VAL CB . 11142 1 1358 . 1 1 112 112 VAL CG1 C 13 18.910 0.300 . 2 . . . . 112 VAL CG1 . 11142 1 1359 . 1 1 112 112 VAL CG2 C 13 20.298 0.300 . 2 . . . . 112 VAL CG2 . 11142 1 1360 . 1 1 112 112 VAL N N 15 121.999 0.300 . 1 . . . . 112 VAL N . 11142 1 1361 . 1 1 113 113 GLN H H 1 8.119 0.030 . 1 . . . . 113 GLN H . 11142 1 1362 . 1 1 113 113 GLN HA H 1 3.915 0.030 . 1 . . . . 113 GLN HA . 11142 1 1363 . 1 1 113 113 GLN HB2 H 1 2.130 0.030 . 1 . . . . 113 GLN HB2 . 11142 1 1364 . 1 1 113 113 GLN HB3 H 1 2.130 0.030 . 1 . . . . 113 GLN HB3 . 11142 1 1365 . 1 1 113 113 GLN HE21 H 1 6.823 0.030 . 2 . . . . 113 GLN HE21 . 11142 1 1366 . 1 1 113 113 GLN HE22 H 1 7.365 0.030 . 2 . . . . 113 GLN HE22 . 11142 1 1367 . 1 1 113 113 GLN HG2 H 1 2.377 0.030 . 1 . . . . 113 GLN HG2 . 11142 1 1368 . 1 1 113 113 GLN HG3 H 1 2.377 0.030 . 1 . . . . 113 GLN HG3 . 11142 1 1369 . 1 1 113 113 GLN C C 13 175.664 0.300 . 1 . . . . 113 GLN C . 11142 1 1370 . 1 1 113 113 GLN CA C 13 56.452 0.300 . 1 . . . . 113 GLN CA . 11142 1 1371 . 1 1 113 113 GLN CB C 13 25.774 0.300 . 1 . . . . 113 GLN CB . 11142 1 1372 . 1 1 113 113 GLN CG C 13 31.529 0.300 . 1 . . . . 113 GLN CG . 11142 1 1373 . 1 1 113 113 GLN N N 15 121.054 0.300 . 1 . . . . 113 GLN N . 11142 1 1374 . 1 1 113 113 GLN NE2 N 15 111.514 0.300 . 1 . . . . 113 GLN NE2 . 11142 1 1375 . 1 1 114 114 LYS H H 1 7.556 0.030 . 1 . . . . 114 LYS H . 11142 1 1376 . 1 1 114 114 LYS HA H 1 4.228 0.030 . 1 . . . . 114 LYS HA . 11142 1 1377 . 1 1 114 114 LYS HB2 H 1 1.740 0.030 . 2 . . . . 114 LYS HB2 . 11142 1 1378 . 1 1 114 114 LYS HB3 H 1 2.070 0.030 . 2 . . . . 114 LYS HB3 . 11142 1 1379 . 1 1 114 114 LYS HD2 H 1 1.635 0.030 . 2 . . . . 114 LYS HD2 . 11142 1 1380 . 1 1 114 114 LYS HD3 H 1 1.701 0.030 . 2 . . . . 114 LYS HD3 . 11142 1 1381 . 1 1 114 114 LYS HE2 H 1 3.011 0.030 . 1 . . . . 114 LYS HE2 . 11142 1 1382 . 1 1 114 114 LYS HE3 H 1 3.011 0.030 . 1 . . . . 114 LYS HE3 . 11142 1 1383 . 1 1 114 114 LYS HG2 H 1 1.612 0.030 . 1 . . . . 114 LYS HG2 . 11142 1 1384 . 1 1 114 114 LYS HG3 H 1 1.612 0.030 . 1 . . . . 114 LYS HG3 . 11142 1 1385 . 1 1 114 114 LYS C C 13 174.173 0.300 . 1 . . . . 114 LYS C . 11142 1 1386 . 1 1 114 114 LYS CA C 13 53.843 0.300 . 1 . . . . 114 LYS CA . 11142 1 1387 . 1 1 114 114 LYS CB C 13 31.252 0.300 . 1 . . . . 114 LYS CB . 11142 1 1388 . 1 1 114 114 LYS CD C 13 26.423 0.300 . 1 . . . . 114 LYS CD . 11142 1 1389 . 1 1 114 114 LYS CE C 13 39.252 0.300 . 1 . . . . 114 LYS CE . 11142 1 1390 . 1 1 114 114 LYS CG C 13 22.988 0.300 . 1 . . . . 114 LYS CG . 11142 1 1391 . 1 1 114 114 LYS N N 15 115.283 0.300 . 1 . . . . 114 LYS N . 11142 1 1392 . 1 1 115 115 GLY H H 1 7.831 0.030 . 1 . . . . 115 GLY H . 11142 1 1393 . 1 1 115 115 GLY HA2 H 1 4.081 0.030 . 2 . . . . 115 GLY HA2 . 11142 1 1394 . 1 1 115 115 GLY HA3 H 1 3.823 0.030 . 2 . . . . 115 GLY HA3 . 11142 1 1395 . 1 1 115 115 GLY C C 13 172.351 0.300 . 1 . . . . 115 GLY C . 11142 1 1396 . 1 1 115 115 GLY CA C 13 43.266 0.300 . 1 . . . . 115 GLY CA . 11142 1 1397 . 1 1 115 115 GLY N N 15 107.298 0.300 . 1 . . . . 115 GLY N . 11142 1 1398 . 1 1 116 116 LEU H H 1 7.820 0.030 . 1 . . . . 116 LEU H . 11142 1 1399 . 1 1 116 116 LEU HA H 1 4.255 0.030 . 1 . . . . 116 LEU HA . 11142 1 1400 . 1 1 116 116 LEU HB2 H 1 1.396 0.030 . 2 . . . . 116 LEU HB2 . 11142 1 1401 . 1 1 116 116 LEU HB3 H 1 1.590 0.030 . 2 . . . . 116 LEU HB3 . 11142 1 1402 . 1 1 116 116 LEU HD11 H 1 0.888 0.030 . 1 . . . . 116 LEU HD1 . 11142 1 1403 . 1 1 116 116 LEU HD12 H 1 0.888 0.030 . 1 . . . . 116 LEU HD1 . 11142 1 1404 . 1 1 116 116 LEU HD13 H 1 0.888 0.030 . 1 . . . . 116 LEU HD1 . 11142 1 1405 . 1 1 116 116 LEU HD21 H 1 0.858 0.030 . 1 . . . . 116 LEU HD2 . 11142 1 1406 . 1 1 116 116 LEU HD22 H 1 0.858 0.030 . 1 . . . . 116 LEU HD2 . 11142 1 1407 . 1 1 116 116 LEU HD23 H 1 0.858 0.030 . 1 . . . . 116 LEU HD2 . 11142 1 1408 . 1 1 116 116 LEU HG H 1 1.492 0.030 . 1 . . . . 116 LEU HG . 11142 1 1409 . 1 1 116 116 LEU C C 13 174.246 0.300 . 1 . . . . 116 LEU C . 11142 1 1410 . 1 1 116 116 LEU CA C 13 53.314 0.300 . 1 . . . . 116 LEU CA . 11142 1 1411 . 1 1 116 116 LEU CB C 13 40.916 0.300 . 1 . . . . 116 LEU CB . 11142 1 1412 . 1 1 116 116 LEU CD1 C 13 24.118 0.300 . 2 . . . . 116 LEU CD1 . 11142 1 1413 . 1 1 116 116 LEU CD2 C 13 20.488 0.300 . 2 . . . . 116 LEU CD2 . 11142 1 1414 . 1 1 116 116 LEU CG C 13 25.551 0.300 . 1 . . . . 116 LEU CG . 11142 1 1415 . 1 1 116 116 LEU N N 15 118.087 0.300 . 1 . . . . 116 LEU N . 11142 1 1416 . 1 1 117 117 VAL H H 1 6.695 0.030 . 1 . . . . 117 VAL H . 11142 1 1417 . 1 1 117 117 VAL HA H 1 4.071 0.030 . 1 . . . . 117 VAL HA . 11142 1 1418 . 1 1 117 117 VAL HB H 1 1.177 0.030 . 1 . . . . 117 VAL HB . 11142 1 1419 . 1 1 117 117 VAL HG11 H 1 0.524 0.030 . 1 . . . . 117 VAL HG1 . 11142 1 1420 . 1 1 117 117 VAL HG12 H 1 0.524 0.030 . 1 . . . . 117 VAL HG1 . 11142 1 1421 . 1 1 117 117 VAL HG13 H 1 0.524 0.030 . 1 . . . . 117 VAL HG1 . 11142 1 1422 . 1 1 117 117 VAL HG21 H 1 0.573 0.030 . 1 . . . . 117 VAL HG2 . 11142 1 1423 . 1 1 117 117 VAL HG22 H 1 0.573 0.030 . 1 . . . . 117 VAL HG2 . 11142 1 1424 . 1 1 117 117 VAL HG23 H 1 0.573 0.030 . 1 . . . . 117 VAL HG2 . 11142 1 1425 . 1 1 117 117 VAL C C 13 172.247 0.300 . 1 . . . . 117 VAL C . 11142 1 1426 . 1 1 117 117 VAL CA C 13 58.962 0.300 . 1 . . . . 117 VAL CA . 11142 1 1427 . 1 1 117 117 VAL CB C 13 32.225 0.300 . 1 . . . . 117 VAL CB . 11142 1 1428 . 1 1 117 117 VAL CG1 C 13 18.668 0.300 . 2 . . . . 117 VAL CG1 . 11142 1 1429 . 1 1 117 117 VAL CG2 C 13 20.314 0.300 . 2 . . . . 117 VAL CG2 . 11142 1 1430 . 1 1 117 117 VAL N N 15 117.499 0.300 . 1 . . . . 117 VAL N . 11142 1 1431 . 1 1 118 118 LYS H H 1 8.506 0.030 . 1 . . . . 118 LYS H . 11142 1 1432 . 1 1 118 118 LYS N N 15 125.737 0.300 . 1 . . . . 118 LYS N . 11142 1 1433 . 1 1 119 119 THR HA H 1 4.228 0.030 . 1 . . . . 119 THR HA . 11142 1 1434 . 1 1 119 119 THR HB H 1 4.094 0.030 . 1 . . . . 119 THR HB . 11142 1 1435 . 1 1 119 119 THR HG21 H 1 1.085 0.030 . 1 . . . . 119 THR HG2 . 11142 1 1436 . 1 1 119 119 THR HG22 H 1 1.085 0.030 . 1 . . . . 119 THR HG2 . 11142 1 1437 . 1 1 119 119 THR HG23 H 1 1.085 0.030 . 1 . . . . 119 THR HG2 . 11142 1 1438 . 1 1 119 119 THR CA C 13 59.328 0.300 . 1 . . . . 119 THR CA . 11142 1 1439 . 1 1 119 119 THR CB C 13 67.638 0.300 . 1 . . . . 119 THR CB . 11142 1 1440 . 1 1 119 119 THR CG2 C 13 19.547 0.300 . 1 . . . . 119 THR CG2 . 11142 1 1441 . 1 1 124 124 GLY HA2 H 1 4.036 0.030 . 1 . . . . 124 GLY HA2 . 11142 1 1442 . 1 1 124 124 GLY HA3 H 1 4.036 0.030 . 1 . . . . 124 GLY HA3 . 11142 1 1443 . 1 1 124 124 GLY CA C 13 42.271 0.300 . 1 . . . . 124 GLY CA . 11142 1 1444 . 1 1 125 125 PRO HA H 1 4.372 0.030 . 1 . . . . 125 PRO HA . 11142 1 1445 . 1 1 125 125 PRO HB2 H 1 2.191 0.030 . 2 . . . . 125 PRO HB2 . 11142 1 1446 . 1 1 125 125 PRO HB3 H 1 1.871 0.030 . 2 . . . . 125 PRO HB3 . 11142 1 1447 . 1 1 125 125 PRO HD2 H 1 3.525 0.030 . 1 . . . . 125 PRO HD2 . 11142 1 1448 . 1 1 125 125 PRO HD3 H 1 3.525 0.030 . 1 . . . . 125 PRO HD3 . 11142 1 1449 . 1 1 125 125 PRO HG2 H 1 1.904 0.030 . 2 . . . . 125 PRO HG2 . 11142 1 1450 . 1 1 125 125 PRO CA C 13 60.911 0.300 . 1 . . . . 125 PRO CA . 11142 1 1451 . 1 1 125 125 PRO CB C 13 29.825 0.300 . 1 . . . . 125 PRO CB . 11142 1 1452 . 1 1 125 125 PRO CD C 13 47.425 0.300 . 1 . . . . 125 PRO CD . 11142 1 1453 . 1 1 125 125 PRO CG C 13 25.007 0.300 . 1 . . . . 125 PRO CG . 11142 1 1454 . 1 1 127 127 SER HA H 1 4.384 0.030 . 1 . . . . 127 SER HA . 11142 1 1455 . 1 1 127 127 SER HB2 H 1 3.783 0.030 . 1 . . . . 127 SER HB2 . 11142 1 1456 . 1 1 127 127 SER HB3 H 1 3.783 0.030 . 1 . . . . 127 SER HB3 . 11142 1 1457 . 1 1 127 127 SER C C 13 171.560 0.300 . 1 . . . . 127 SER C . 11142 1 1458 . 1 1 127 127 SER CA C 13 56.029 0.300 . 1 . . . . 127 SER CA . 11142 1 1459 . 1 1 127 127 SER CB C 13 61.574 0.300 . 1 . . . . 127 SER CB . 11142 1 1460 . 1 1 128 128 GLY H H 1 7.963 0.030 . 1 . . . . 128 GLY H . 11142 1 1461 . 1 1 128 128 GLY HA2 H 1 3.650 0.030 . 2 . . . . 128 GLY HA2 . 11142 1 1462 . 1 1 128 128 GLY HA3 H 1 3.697 0.030 . 2 . . . . 128 GLY HA3 . 11142 1 1463 . 1 1 128 128 GLY C C 13 176.643 0.300 . 1 . . . . 128 GLY C . 11142 1 1464 . 1 1 128 128 GLY CA C 13 43.861 0.300 . 1 . . . . 128 GLY CA . 11142 1 1465 . 1 1 128 128 GLY N N 15 116.470 0.300 . 1 . . . . 128 GLY N . 11142 1 stop_ save_