data_11104 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11104 _Entry.Title ; The solution structure of the second thioredoxin domain of mouse Protein disulfide-isomerase A4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-18 _Entry.Accession_date 2010-02-22 _Entry.Last_release_date 2011-02-18 _Entry.Original_release_date 2011-02-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 N. Tochio . . . 11104 2 S. Koshiba . . . 11104 3 M. Inoue . . . 11104 4 T. Kigawa . . . 11104 5 S. Yokoyama . . . 11104 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)' . 11104 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11104 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 518 11104 '15N chemical shifts' 112 11104 '1H chemical shifts' 791 11104 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 . . 2011-02-18 2010-02-19 original author . 11104 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DJ2 'BMRB Entry Tracking System' 11104 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11104 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; The solution structure of the second thioredoxin domain of mouse Protein disulfide-isomerase A4 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 N. Tochio . . . 11104 1 2 S. Koshiba . . . 11104 1 3 M. Inoue . . . 11104 1 4 T. Kigawa . . . 11104 1 5 S. Yokoyama . . . 11104 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11104 _Assembly.ID 1 _Assembly.Name 'Protein disulfide-isomerase A4' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number E.C.5.3.4.1 _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 '2nd thioredoxin domain' 1 $entity_1 A . yes native no no . . . 11104 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 2dj2 . . . . . . 11104 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11104 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name '2nd thioredoxin 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 ; GSSGSSGVTLSLTKDNFDDV VNNADIILVEFYAPWCGHCK KLAPEYEKAAKELSKRSPPI PLAKVDATEQTDLAKRFDVS GYPTLKIFRKGRPFDYNGPR EKYGIVDYMIEQSGSGPSSG ; _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 120 _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 2DJ2 . "The Solution Structure Of The Second Thioredoxin Domain Of Mouse Protein Disulfide-Isomerase A4" . . . . . 100.00 120 100.00 100.00 6.08e-82 . . . . 11104 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '2nd thioredoxin domain' . 11104 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 . 11104 1 2 . SER . 11104 1 3 . SER . 11104 1 4 . GLY . 11104 1 5 . SER . 11104 1 6 . SER . 11104 1 7 . GLY . 11104 1 8 . VAL . 11104 1 9 . THR . 11104 1 10 . LEU . 11104 1 11 . SER . 11104 1 12 . LEU . 11104 1 13 . THR . 11104 1 14 . LYS . 11104 1 15 . ASP . 11104 1 16 . ASN . 11104 1 17 . PHE . 11104 1 18 . ASP . 11104 1 19 . ASP . 11104 1 20 . VAL . 11104 1 21 . VAL . 11104 1 22 . ASN . 11104 1 23 . ASN . 11104 1 24 . ALA . 11104 1 25 . ASP . 11104 1 26 . ILE . 11104 1 27 . ILE . 11104 1 28 . LEU . 11104 1 29 . VAL . 11104 1 30 . GLU . 11104 1 31 . PHE . 11104 1 32 . TYR . 11104 1 33 . ALA . 11104 1 34 . PRO . 11104 1 35 . TRP . 11104 1 36 . CYS . 11104 1 37 . GLY . 11104 1 38 . HIS . 11104 1 39 . CYS . 11104 1 40 . LYS . 11104 1 41 . LYS . 11104 1 42 . LEU . 11104 1 43 . ALA . 11104 1 44 . PRO . 11104 1 45 . GLU . 11104 1 46 . TYR . 11104 1 47 . GLU . 11104 1 48 . LYS . 11104 1 49 . ALA . 11104 1 50 . ALA . 11104 1 51 . LYS . 11104 1 52 . GLU . 11104 1 53 . LEU . 11104 1 54 . SER . 11104 1 55 . LYS . 11104 1 56 . ARG . 11104 1 57 . SER . 11104 1 58 . PRO . 11104 1 59 . PRO . 11104 1 60 . ILE . 11104 1 61 . PRO . 11104 1 62 . LEU . 11104 1 63 . ALA . 11104 1 64 . LYS . 11104 1 65 . VAL . 11104 1 66 . ASP . 11104 1 67 . ALA . 11104 1 68 . THR . 11104 1 69 . GLU . 11104 1 70 . GLN . 11104 1 71 . THR . 11104 1 72 . ASP . 11104 1 73 . LEU . 11104 1 74 . ALA . 11104 1 75 . LYS . 11104 1 76 . ARG . 11104 1 77 . PHE . 11104 1 78 . ASP . 11104 1 79 . VAL . 11104 1 80 . SER . 11104 1 81 . GLY . 11104 1 82 . TYR . 11104 1 83 . PRO . 11104 1 84 . THR . 11104 1 85 . LEU . 11104 1 86 . LYS . 11104 1 87 . ILE . 11104 1 88 . PHE . 11104 1 89 . ARG . 11104 1 90 . LYS . 11104 1 91 . GLY . 11104 1 92 . ARG . 11104 1 93 . PRO . 11104 1 94 . PHE . 11104 1 95 . ASP . 11104 1 96 . TYR . 11104 1 97 . ASN . 11104 1 98 . GLY . 11104 1 99 . PRO . 11104 1 100 . ARG . 11104 1 101 . GLU . 11104 1 102 . LYS . 11104 1 103 . TYR . 11104 1 104 . GLY . 11104 1 105 . ILE . 11104 1 106 . VAL . 11104 1 107 . ASP . 11104 1 108 . TYR . 11104 1 109 . MET . 11104 1 110 . ILE . 11104 1 111 . GLU . 11104 1 112 . GLN . 11104 1 113 . SER . 11104 1 114 . GLY . 11104 1 115 . SER . 11104 1 116 . GLY . 11104 1 117 . PRO . 11104 1 118 . SER . 11104 1 119 . SER . 11104 1 120 . GLY . 11104 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 11104 1 . SER 2 2 11104 1 . SER 3 3 11104 1 . GLY 4 4 11104 1 . SER 5 5 11104 1 . SER 6 6 11104 1 . GLY 7 7 11104 1 . VAL 8 8 11104 1 . THR 9 9 11104 1 . LEU 10 10 11104 1 . SER 11 11 11104 1 . LEU 12 12 11104 1 . THR 13 13 11104 1 . LYS 14 14 11104 1 . ASP 15 15 11104 1 . ASN 16 16 11104 1 . PHE 17 17 11104 1 . ASP 18 18 11104 1 . ASP 19 19 11104 1 . VAL 20 20 11104 1 . VAL 21 21 11104 1 . ASN 22 22 11104 1 . ASN 23 23 11104 1 . ALA 24 24 11104 1 . ASP 25 25 11104 1 . ILE 26 26 11104 1 . ILE 27 27 11104 1 . LEU 28 28 11104 1 . VAL 29 29 11104 1 . GLU 30 30 11104 1 . PHE 31 31 11104 1 . TYR 32 32 11104 1 . ALA 33 33 11104 1 . PRO 34 34 11104 1 . TRP 35 35 11104 1 . CYS 36 36 11104 1 . GLY 37 37 11104 1 . HIS 38 38 11104 1 . CYS 39 39 11104 1 . LYS 40 40 11104 1 . LYS 41 41 11104 1 . LEU 42 42 11104 1 . ALA 43 43 11104 1 . PRO 44 44 11104 1 . GLU 45 45 11104 1 . TYR 46 46 11104 1 . GLU 47 47 11104 1 . LYS 48 48 11104 1 . ALA 49 49 11104 1 . ALA 50 50 11104 1 . LYS 51 51 11104 1 . GLU 52 52 11104 1 . LEU 53 53 11104 1 . SER 54 54 11104 1 . LYS 55 55 11104 1 . ARG 56 56 11104 1 . SER 57 57 11104 1 . PRO 58 58 11104 1 . PRO 59 59 11104 1 . ILE 60 60 11104 1 . PRO 61 61 11104 1 . LEU 62 62 11104 1 . ALA 63 63 11104 1 . LYS 64 64 11104 1 . VAL 65 65 11104 1 . ASP 66 66 11104 1 . ALA 67 67 11104 1 . THR 68 68 11104 1 . GLU 69 69 11104 1 . GLN 70 70 11104 1 . THR 71 71 11104 1 . ASP 72 72 11104 1 . LEU 73 73 11104 1 . ALA 74 74 11104 1 . LYS 75 75 11104 1 . ARG 76 76 11104 1 . PHE 77 77 11104 1 . ASP 78 78 11104 1 . VAL 79 79 11104 1 . SER 80 80 11104 1 . GLY 81 81 11104 1 . TYR 82 82 11104 1 . PRO 83 83 11104 1 . THR 84 84 11104 1 . LEU 85 85 11104 1 . LYS 86 86 11104 1 . ILE 87 87 11104 1 . PHE 88 88 11104 1 . ARG 89 89 11104 1 . LYS 90 90 11104 1 . GLY 91 91 11104 1 . ARG 92 92 11104 1 . PRO 93 93 11104 1 . PHE 94 94 11104 1 . ASP 95 95 11104 1 . TYR 96 96 11104 1 . ASN 97 97 11104 1 . GLY 98 98 11104 1 . PRO 99 99 11104 1 . ARG 100 100 11104 1 . GLU 101 101 11104 1 . LYS 102 102 11104 1 . TYR 103 103 11104 1 . GLY 104 104 11104 1 . ILE 105 105 11104 1 . VAL 106 106 11104 1 . ASP 107 107 11104 1 . TYR 108 108 11104 1 . MET 109 109 11104 1 . ILE 110 110 11104 1 . GLU 111 111 11104 1 . GLN 112 112 11104 1 . SER 113 113 11104 1 . GLY 114 114 11104 1 . SER 115 115 11104 1 . GLY 116 116 11104 1 . PRO 117 117 11104 1 . SER 118 118 11104 1 . SER 119 119 11104 1 . GLY 120 120 11104 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 11104 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11104 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 11104 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P050425-14 . . . . . . 11104 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11104 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.2mM Thioredoxin domain [U-15N,13C]; 20mM d-Tris HCl; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Thioredoxin domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.2 . . mM . . . . 11104 1 2 'd-Tris HCl' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11104 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11104 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11104 1 5 'sodium azide' 'natural abundance' . . . . . salt 0.02 . . % . . . . 11104 1 6 H2O . . . . . . solvent 90 . . % . . . . 11104 1 7 D2O . . . . . . solvent 10 . . % . . . . 11104 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 11104 _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 11104 1 pH 7.0 0.05 pH 11104 1 pressure 1 0.001 atm 11104 1 temperature 296 0.1 K 11104 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11104 _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 . . 11104 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11104 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11104 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11104 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11104 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11104 _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.' . . 11104 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11104 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11104 _Software.ID 4 _Software.Name Kujira _Software.Version 0.955 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11104 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11104 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11104 _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.' . . 11104 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11104 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 11104 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11104 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 900 . . . 11104 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 11104 _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 . . . . . . . . . . . . . . . . 11104 1 2 '3D 13C-SEPARATED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11104 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 11104 _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 . . . . . . . . . 11104 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11104 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11104 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 11104 _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 11104 1 2 '3D 13C-SEPARATED NOESY' 1 $sample_1 isotropic 11104 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 . . 11104 1 2 $NMRPipe . . 11104 1 3 $NMRVIEW . . 11104 1 4 $KUJIRA . . 11104 1 5 $CYANA . . 11104 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 4.022 0.030 . 2 . . . . 7 GLY HA2 . 11104 1 2 . 1 1 7 7 GLY HA3 H 1 3.964 0.030 . 2 . . . . 7 GLY HA3 . 11104 1 3 . 1 1 7 7 GLY C C 13 173.866 0.300 . 1 . . . . 7 GLY C . 11104 1 4 . 1 1 7 7 GLY CA C 13 45.110 0.300 . 1 . . . . 7 GLY CA . 11104 1 5 . 1 1 8 8 VAL H H 1 9.504 0.030 . 1 . . . . 8 VAL H . 11104 1 6 . 1 1 8 8 VAL HA H 1 4.184 0.030 . 1 . . . . 8 VAL HA . 11104 1 7 . 1 1 8 8 VAL HB H 1 2.089 0.030 . 1 . . . . 8 VAL HB . 11104 1 8 . 1 1 8 8 VAL HG11 H 1 0.883 0.030 . 1 . . . . 8 VAL HG1 . 11104 1 9 . 1 1 8 8 VAL HG12 H 1 0.883 0.030 . 1 . . . . 8 VAL HG1 . 11104 1 10 . 1 1 8 8 VAL HG13 H 1 0.883 0.030 . 1 . . . . 8 VAL HG1 . 11104 1 11 . 1 1 8 8 VAL HG21 H 1 0.876 0.030 . 1 . . . . 8 VAL HG2 . 11104 1 12 . 1 1 8 8 VAL HG22 H 1 0.876 0.030 . 1 . . . . 8 VAL HG2 . 11104 1 13 . 1 1 8 8 VAL HG23 H 1 0.876 0.030 . 1 . . . . 8 VAL HG2 . 11104 1 14 . 1 1 8 8 VAL C C 13 177.409 0.300 . 1 . . . . 8 VAL C . 11104 1 15 . 1 1 8 8 VAL CA C 13 62.398 0.300 . 1 . . . . 8 VAL CA . 11104 1 16 . 1 1 8 8 VAL CB C 13 32.809 0.300 . 1 . . . . 8 VAL CB . 11104 1 17 . 1 1 8 8 VAL CG1 C 13 21.536 0.300 . 2 . . . . 8 VAL CG1 . 11104 1 18 . 1 1 8 8 VAL CG2 C 13 21.392 0.300 . 2 . . . . 8 VAL CG2 . 11104 1 19 . 1 1 8 8 VAL N N 15 119.451 0.300 . 1 . . . . 8 VAL N . 11104 1 20 . 1 1 9 9 THR H H 1 8.272 0.030 . 1 . . . . 9 THR H . 11104 1 21 . 1 1 9 9 THR HA H 1 4.088 0.030 . 1 . . . . 9 THR HA . 11104 1 22 . 1 1 9 9 THR HB H 1 3.863 0.030 . 1 . . . . 9 THR HB . 11104 1 23 . 1 1 9 9 THR HG21 H 1 1.087 0.030 . 1 . . . . 9 THR HG2 . 11104 1 24 . 1 1 9 9 THR HG22 H 1 1.087 0.030 . 1 . . . . 9 THR HG2 . 11104 1 25 . 1 1 9 9 THR HG23 H 1 1.087 0.030 . 1 . . . . 9 THR HG2 . 11104 1 26 . 1 1 9 9 THR C C 13 175.029 0.300 . 1 . . . . 9 THR C . 11104 1 27 . 1 1 9 9 THR CA C 13 62.929 0.300 . 1 . . . . 9 THR CA . 11104 1 28 . 1 1 9 9 THR CB C 13 69.336 0.300 . 1 . . . . 9 THR CB . 11104 1 29 . 1 1 9 9 THR CG2 C 13 22.619 0.300 . 1 . . . . 9 THR CG2 . 11104 1 30 . 1 1 9 9 THR N N 15 117.128 0.300 . 1 . . . . 9 THR N . 11104 1 31 . 1 1 10 10 LEU H H 1 8.689 0.030 . 1 . . . . 10 LEU H . 11104 1 32 . 1 1 10 10 LEU HA H 1 4.374 0.030 . 1 . . . . 10 LEU HA . 11104 1 33 . 1 1 10 10 LEU HB2 H 1 1.602 0.030 . 2 . . . . 10 LEU HB2 . 11104 1 34 . 1 1 10 10 LEU HB3 H 1 1.400 0.030 . 2 . . . . 10 LEU HB3 . 11104 1 35 . 1 1 10 10 LEU HD11 H 1 0.846 0.030 . 1 . . . . 10 LEU HD1 . 11104 1 36 . 1 1 10 10 LEU HD12 H 1 0.846 0.030 . 1 . . . . 10 LEU HD1 . 11104 1 37 . 1 1 10 10 LEU HD13 H 1 0.846 0.030 . 1 . . . . 10 LEU HD1 . 11104 1 38 . 1 1 10 10 LEU HD21 H 1 0.832 0.030 . 1 . . . . 10 LEU HD2 . 11104 1 39 . 1 1 10 10 LEU HD22 H 1 0.832 0.030 . 1 . . . . 10 LEU HD2 . 11104 1 40 . 1 1 10 10 LEU HD23 H 1 0.832 0.030 . 1 . . . . 10 LEU HD2 . 11104 1 41 . 1 1 10 10 LEU HG H 1 1.730 0.030 . 1 . . . . 10 LEU HG . 11104 1 42 . 1 1 10 10 LEU C C 13 176.568 0.300 . 1 . . . . 10 LEU C . 11104 1 43 . 1 1 10 10 LEU CA C 13 54.905 0.300 . 1 . . . . 10 LEU CA . 11104 1 44 . 1 1 10 10 LEU CB C 13 43.299 0.300 . 1 . . . . 10 LEU CB . 11104 1 45 . 1 1 10 10 LEU CD1 C 13 25.420 0.300 . 2 . . . . 10 LEU CD1 . 11104 1 46 . 1 1 10 10 LEU CD2 C 13 23.815 0.300 . 2 . . . . 10 LEU CD2 . 11104 1 47 . 1 1 10 10 LEU CG C 13 27.082 0.300 . 1 . . . . 10 LEU CG . 11104 1 48 . 1 1 10 10 LEU N N 15 126.747 0.300 . 1 . . . . 10 LEU N . 11104 1 49 . 1 1 11 11 SER H H 1 8.781 0.030 . 1 . . . . 11 SER H . 11104 1 50 . 1 1 11 11 SER HA H 1 4.998 0.030 . 1 . . . . 11 SER HA . 11104 1 51 . 1 1 11 11 SER HB2 H 1 3.783 0.030 . 1 . . . . 11 SER HB2 . 11104 1 52 . 1 1 11 11 SER HB3 H 1 3.783 0.030 . 1 . . . . 11 SER HB3 . 11104 1 53 . 1 1 11 11 SER C C 13 174.533 0.300 . 1 . . . . 11 SER C . 11104 1 54 . 1 1 11 11 SER CA C 13 57.914 0.300 . 1 . . . . 11 SER CA . 11104 1 55 . 1 1 11 11 SER CB C 13 63.393 0.300 . 1 . . . . 11 SER CB . 11104 1 56 . 1 1 11 11 SER N N 15 120.280 0.300 . 1 . . . . 11 SER N . 11104 1 57 . 1 1 12 12 LEU H H 1 8.663 0.030 . 1 . . . . 12 LEU H . 11104 1 58 . 1 1 12 12 LEU HA H 1 5.286 0.030 . 1 . . . . 12 LEU HA . 11104 1 59 . 1 1 12 12 LEU HB2 H 1 1.813 0.030 . 2 . . . . 12 LEU HB2 . 11104 1 60 . 1 1 12 12 LEU HB3 H 1 1.341 0.030 . 2 . . . . 12 LEU HB3 . 11104 1 61 . 1 1 12 12 LEU HD11 H 1 0.336 0.030 . 1 . . . . 12 LEU HD1 . 11104 1 62 . 1 1 12 12 LEU HD12 H 1 0.336 0.030 . 1 . . . . 12 LEU HD1 . 11104 1 63 . 1 1 12 12 LEU HD13 H 1 0.336 0.030 . 1 . . . . 12 LEU HD1 . 11104 1 64 . 1 1 12 12 LEU HD21 H 1 0.635 0.030 . 1 . . . . 12 LEU HD2 . 11104 1 65 . 1 1 12 12 LEU HD22 H 1 0.635 0.030 . 1 . . . . 12 LEU HD2 . 11104 1 66 . 1 1 12 12 LEU HD23 H 1 0.635 0.030 . 1 . . . . 12 LEU HD2 . 11104 1 67 . 1 1 12 12 LEU HG H 1 1.497 0.030 . 1 . . . . 12 LEU HG . 11104 1 68 . 1 1 12 12 LEU C C 13 175.959 0.300 . 1 . . . . 12 LEU C . 11104 1 69 . 1 1 12 12 LEU CA C 13 53.076 0.300 . 1 . . . . 12 LEU CA . 11104 1 70 . 1 1 12 12 LEU CB C 13 43.796 0.300 . 1 . . . . 12 LEU CB . 11104 1 71 . 1 1 12 12 LEU CD1 C 13 26.845 0.300 . 2 . . . . 12 LEU CD1 . 11104 1 72 . 1 1 12 12 LEU CD2 C 13 22.740 0.300 . 2 . . . . 12 LEU CD2 . 11104 1 73 . 1 1 12 12 LEU CG C 13 27.013 0.300 . 1 . . . . 12 LEU CG . 11104 1 74 . 1 1 12 12 LEU N N 15 124.667 0.300 . 1 . . . . 12 LEU N . 11104 1 75 . 1 1 13 13 THR H H 1 9.278 0.030 . 1 . . . . 13 THR H . 11104 1 76 . 1 1 13 13 THR HA H 1 4.419 0.030 . 1 . . . . 13 THR HA . 11104 1 77 . 1 1 13 13 THR HB H 1 4.515 0.030 . 1 . . . . 13 THR HB . 11104 1 78 . 1 1 13 13 THR HG21 H 1 1.155 0.030 . 1 . . . . 13 THR HG2 . 11104 1 79 . 1 1 13 13 THR HG22 H 1 1.155 0.030 . 1 . . . . 13 THR HG2 . 11104 1 80 . 1 1 13 13 THR HG23 H 1 1.155 0.030 . 1 . . . . 13 THR HG2 . 11104 1 81 . 1 1 13 13 THR C C 13 175.102 0.300 . 1 . . . . 13 THR C . 11104 1 82 . 1 1 13 13 THR CA C 13 59.079 0.300 . 1 . . . . 13 THR CA . 11104 1 83 . 1 1 13 13 THR CB C 13 73.558 0.300 . 1 . . . . 13 THR CB . 11104 1 84 . 1 1 13 13 THR CG2 C 13 21.413 0.300 . 1 . . . . 13 THR CG2 . 11104 1 85 . 1 1 13 13 THR N N 15 111.359 0.300 . 1 . . . . 13 THR N . 11104 1 86 . 1 1 14 14 LYS H H 1 8.297 0.030 . 1 . . . . 14 LYS H . 11104 1 87 . 1 1 14 14 LYS HA H 1 4.080 0.030 . 1 . . . . 14 LYS HA . 11104 1 88 . 1 1 14 14 LYS HB2 H 1 2.083 0.030 . 2 . . . . 14 LYS HB2 . 11104 1 89 . 1 1 14 14 LYS HB3 H 1 2.026 0.030 . 2 . . . . 14 LYS HB3 . 11104 1 90 . 1 1 14 14 LYS HD2 H 1 1.757 0.030 . 2 . . . . 14 LYS HD2 . 11104 1 91 . 1 1 14 14 LYS HE2 H 1 3.053 0.030 . 1 . . . . 14 LYS HE2 . 11104 1 92 . 1 1 14 14 LYS HE3 H 1 3.053 0.030 . 1 . . . . 14 LYS HE3 . 11104 1 93 . 1 1 14 14 LYS HG2 H 1 1.448 0.030 . 2 . . . . 14 LYS HG2 . 11104 1 94 . 1 1 14 14 LYS HG3 H 1 1.604 0.030 . 2 . . . . 14 LYS HG3 . 11104 1 95 . 1 1 14 14 LYS C C 13 177.006 0.300 . 1 . . . . 14 LYS C . 11104 1 96 . 1 1 14 14 LYS CA C 13 59.168 0.300 . 1 . . . . 14 LYS CA . 11104 1 97 . 1 1 14 14 LYS CB C 13 31.807 0.300 . 1 . . . . 14 LYS CB . 11104 1 98 . 1 1 14 14 LYS CD C 13 29.444 0.300 . 1 . . . . 14 LYS CD . 11104 1 99 . 1 1 14 14 LYS CE C 13 42.169 0.300 . 1 . . . . 14 LYS CE . 11104 1 100 . 1 1 14 14 LYS CG C 13 23.758 0.300 . 1 . . . . 14 LYS CG . 11104 1 101 . 1 1 14 14 LYS N N 15 117.871 0.300 . 1 . . . . 14 LYS N . 11104 1 102 . 1 1 15 15 ASP H H 1 7.981 0.030 . 1 . . . . 15 ASP H . 11104 1 103 . 1 1 15 15 ASP HA H 1 4.594 0.030 . 1 . . . . 15 ASP HA . 11104 1 104 . 1 1 15 15 ASP HB2 H 1 2.701 0.030 . 2 . . . . 15 ASP HB2 . 11104 1 105 . 1 1 15 15 ASP HB3 H 1 2.354 0.030 . 2 . . . . 15 ASP HB3 . 11104 1 106 . 1 1 15 15 ASP C C 13 176.463 0.300 . 1 . . . . 15 ASP C . 11104 1 107 . 1 1 15 15 ASP CA C 13 56.647 0.300 . 1 . . . . 15 ASP CA . 11104 1 108 . 1 1 15 15 ASP CB C 13 41.594 0.300 . 1 . . . . 15 ASP CB . 11104 1 109 . 1 1 15 15 ASP N N 15 117.443 0.300 . 1 . . . . 15 ASP N . 11104 1 110 . 1 1 16 16 ASN H H 1 7.603 0.030 . 1 . . . . 16 ASN H . 11104 1 111 . 1 1 16 16 ASN HA H 1 5.052 0.030 . 1 . . . . 16 ASN HA . 11104 1 112 . 1 1 16 16 ASN HB2 H 1 3.231 0.030 . 2 . . . . 16 ASN HB2 . 11104 1 113 . 1 1 16 16 ASN HB3 H 1 2.682 0.030 . 2 . . . . 16 ASN HB3 . 11104 1 114 . 1 1 16 16 ASN HD21 H 1 7.567 0.030 . 2 . . . . 16 ASN HD21 . 11104 1 115 . 1 1 16 16 ASN HD22 H 1 6.330 0.030 . 2 . . . . 16 ASN HD22 . 11104 1 116 . 1 1 16 16 ASN C C 13 176.172 0.300 . 1 . . . . 16 ASN C . 11104 1 117 . 1 1 16 16 ASN CA C 13 52.707 0.300 . 1 . . . . 16 ASN CA . 11104 1 118 . 1 1 16 16 ASN CB C 13 39.460 0.300 . 1 . . . . 16 ASN CB . 11104 1 119 . 1 1 16 16 ASN N N 15 115.171 0.300 . 1 . . . . 16 ASN N . 11104 1 120 . 1 1 16 16 ASN ND2 N 15 106.671 0.300 . 1 . . . . 16 ASN ND2 . 11104 1 121 . 1 1 17 17 PHE H H 1 8.439 0.030 . 1 . . . . 17 PHE H . 11104 1 122 . 1 1 17 17 PHE HA H 1 3.676 0.030 . 1 . . . . 17 PHE HA . 11104 1 123 . 1 1 17 17 PHE HB2 H 1 3.111 0.030 . 2 . . . . 17 PHE HB2 . 11104 1 124 . 1 1 17 17 PHE HB3 H 1 2.973 0.030 . 2 . . . . 17 PHE HB3 . 11104 1 125 . 1 1 17 17 PHE HD1 H 1 6.906 0.030 . 1 . . . . 17 PHE HD1 . 11104 1 126 . 1 1 17 17 PHE HD2 H 1 6.906 0.030 . 1 . . . . 17 PHE HD2 . 11104 1 127 . 1 1 17 17 PHE HE1 H 1 6.814 0.030 . 1 . . . . 17 PHE HE1 . 11104 1 128 . 1 1 17 17 PHE HE2 H 1 6.814 0.030 . 1 . . . . 17 PHE HE2 . 11104 1 129 . 1 1 17 17 PHE HZ H 1 6.357 0.030 . 1 . . . . 17 PHE HZ . 11104 1 130 . 1 1 17 17 PHE C C 13 175.997 0.300 . 1 . . . . 17 PHE C . 11104 1 131 . 1 1 17 17 PHE CA C 13 63.467 0.300 . 1 . . . . 17 PHE CA . 11104 1 132 . 1 1 17 17 PHE CB C 13 40.335 0.300 . 1 . . . . 17 PHE CB . 11104 1 133 . 1 1 17 17 PHE CD1 C 13 132.901 0.300 . 1 . . . . 17 PHE CD1 . 11104 1 134 . 1 1 17 17 PHE CD2 C 13 132.901 0.300 . 1 . . . . 17 PHE CD2 . 11104 1 135 . 1 1 17 17 PHE CE1 C 13 130.226 0.300 . 1 . . . . 17 PHE CE1 . 11104 1 136 . 1 1 17 17 PHE CE2 C 13 130.226 0.300 . 1 . . . . 17 PHE CE2 . 11104 1 137 . 1 1 17 17 PHE CZ C 13 130.270 0.300 . 1 . . . . 17 PHE CZ . 11104 1 138 . 1 1 17 17 PHE N N 15 120.832 0.300 . 1 . . . . 17 PHE N . 11104 1 139 . 1 1 18 18 ASP H H 1 8.527 0.030 . 1 . . . . 18 ASP H . 11104 1 140 . 1 1 18 18 ASP HA H 1 4.183 0.030 . 1 . . . . 18 ASP HA . 11104 1 141 . 1 1 18 18 ASP HB2 H 1 2.548 0.030 . 2 . . . . 18 ASP HB2 . 11104 1 142 . 1 1 18 18 ASP C C 13 177.539 0.300 . 1 . . . . 18 ASP C . 11104 1 143 . 1 1 18 18 ASP CA C 13 57.944 0.300 . 1 . . . . 18 ASP CA . 11104 1 144 . 1 1 18 18 ASP CB C 13 40.424 0.300 . 1 . . . . 18 ASP CB . 11104 1 145 . 1 1 18 18 ASP N N 15 116.854 0.300 . 1 . . . . 18 ASP N . 11104 1 146 . 1 1 19 19 ASP H H 1 8.185 0.030 . 1 . . . . 19 ASP H . 11104 1 147 . 1 1 19 19 ASP HA H 1 4.150 0.030 . 1 . . . . 19 ASP HA . 11104 1 148 . 1 1 19 19 ASP HB2 H 1 2.553 0.030 . 2 . . . . 19 ASP HB2 . 11104 1 149 . 1 1 19 19 ASP C C 13 178.592 0.300 . 1 . . . . 19 ASP C . 11104 1 150 . 1 1 19 19 ASP CA C 13 57.422 0.300 . 1 . . . . 19 ASP CA . 11104 1 151 . 1 1 19 19 ASP CB C 13 40.801 0.300 . 1 . . . . 19 ASP CB . 11104 1 152 . 1 1 19 19 ASP N N 15 118.433 0.300 . 1 . . . . 19 ASP N . 11104 1 153 . 1 1 20 20 VAL H H 1 7.572 0.030 . 1 . . . . 20 VAL H . 11104 1 154 . 1 1 20 20 VAL HA H 1 3.594 0.030 . 1 . . . . 20 VAL HA . 11104 1 155 . 1 1 20 20 VAL HB H 1 1.656 0.030 . 1 . . . . 20 VAL HB . 11104 1 156 . 1 1 20 20 VAL HG11 H 1 0.508 0.030 . 1 . . . . 20 VAL HG1 . 11104 1 157 . 1 1 20 20 VAL HG12 H 1 0.508 0.030 . 1 . . . . 20 VAL HG1 . 11104 1 158 . 1 1 20 20 VAL HG13 H 1 0.508 0.030 . 1 . . . . 20 VAL HG1 . 11104 1 159 . 1 1 20 20 VAL HG21 H 1 0.883 0.030 . 1 . . . . 20 VAL HG2 . 11104 1 160 . 1 1 20 20 VAL HG22 H 1 0.883 0.030 . 1 . . . . 20 VAL HG2 . 11104 1 161 . 1 1 20 20 VAL HG23 H 1 0.883 0.030 . 1 . . . . 20 VAL HG2 . 11104 1 162 . 1 1 20 20 VAL C C 13 178.915 0.300 . 1 . . . . 20 VAL C . 11104 1 163 . 1 1 20 20 VAL CA C 13 65.682 0.300 . 1 . . . . 20 VAL CA . 11104 1 164 . 1 1 20 20 VAL CB C 13 32.062 0.300 . 1 . . . . 20 VAL CB . 11104 1 165 . 1 1 20 20 VAL CG1 C 13 20.744 0.300 . 2 . . . . 20 VAL CG1 . 11104 1 166 . 1 1 20 20 VAL CG2 C 13 22.026 0.300 . 2 . . . . 20 VAL CG2 . 11104 1 167 . 1 1 20 20 VAL N N 15 117.403 0.300 . 1 . . . . 20 VAL N . 11104 1 168 . 1 1 21 21 VAL H H 1 8.479 0.030 . 1 . . . . 21 VAL H . 11104 1 169 . 1 1 21 21 VAL HA H 1 3.246 0.030 . 1 . . . . 21 VAL HA . 11104 1 170 . 1 1 21 21 VAL HB H 1 1.282 0.030 . 1 . . . . 21 VAL HB . 11104 1 171 . 1 1 21 21 VAL HG11 H 1 -0.266 0.030 . 1 . . . . 21 VAL HG1 . 11104 1 172 . 1 1 21 21 VAL HG12 H 1 -0.266 0.030 . 1 . . . . 21 VAL HG1 . 11104 1 173 . 1 1 21 21 VAL HG13 H 1 -0.266 0.030 . 1 . . . . 21 VAL HG1 . 11104 1 174 . 1 1 21 21 VAL HG21 H 1 -0.176 0.030 . 1 . . . . 21 VAL HG2 . 11104 1 175 . 1 1 21 21 VAL HG22 H 1 -0.176 0.030 . 1 . . . . 21 VAL HG2 . 11104 1 176 . 1 1 21 21 VAL HG23 H 1 -0.176 0.030 . 1 . . . . 21 VAL HG2 . 11104 1 177 . 1 1 21 21 VAL C C 13 178.902 0.300 . 1 . . . . 21 VAL C . 11104 1 178 . 1 1 21 21 VAL CA C 13 66.241 0.300 . 1 . . . . 21 VAL CA . 11104 1 179 . 1 1 21 21 VAL CB C 13 30.823 0.300 . 1 . . . . 21 VAL CB . 11104 1 180 . 1 1 21 21 VAL CG1 C 13 20.278 0.300 . 2 . . . . 21 VAL CG1 . 11104 1 181 . 1 1 21 21 VAL CG2 C 13 20.915 0.300 . 2 . . . . 21 VAL CG2 . 11104 1 182 . 1 1 21 21 VAL N N 15 116.514 0.300 . 1 . . . . 21 VAL N . 11104 1 183 . 1 1 22 22 ASN H H 1 8.596 0.030 . 1 . . . . 22 ASN H . 11104 1 184 . 1 1 22 22 ASN HA H 1 4.132 0.030 . 1 . . . . 22 ASN HA . 11104 1 185 . 1 1 22 22 ASN HB2 H 1 2.926 0.030 . 2 . . . . 22 ASN HB2 . 11104 1 186 . 1 1 22 22 ASN HB3 H 1 2.606 0.030 . 2 . . . . 22 ASN HB3 . 11104 1 187 . 1 1 22 22 ASN HD21 H 1 7.442 0.030 . 2 . . . . 22 ASN HD21 . 11104 1 188 . 1 1 22 22 ASN HD22 H 1 6.860 0.030 . 2 . . . . 22 ASN HD22 . 11104 1 189 . 1 1 22 22 ASN C C 13 176.465 0.300 . 1 . . . . 22 ASN C . 11104 1 190 . 1 1 22 22 ASN CA C 13 55.466 0.300 . 1 . . . . 22 ASN CA . 11104 1 191 . 1 1 22 22 ASN CB C 13 37.119 0.300 . 1 . . . . 22 ASN CB . 11104 1 192 . 1 1 22 22 ASN N N 15 117.335 0.300 . 1 . . . . 22 ASN N . 11104 1 193 . 1 1 22 22 ASN ND2 N 15 108.834 0.300 . 1 . . . . 22 ASN ND2 . 11104 1 194 . 1 1 23 23 ASN H H 1 6.714 0.030 . 1 . . . . 23 ASN H . 11104 1 195 . 1 1 23 23 ASN HA H 1 4.678 0.030 . 1 . . . . 23 ASN HA . 11104 1 196 . 1 1 23 23 ASN HB2 H 1 2.803 0.030 . 2 . . . . 23 ASN HB2 . 11104 1 197 . 1 1 23 23 ASN HB3 H 1 2.557 0.030 . 2 . . . . 23 ASN HB3 . 11104 1 198 . 1 1 23 23 ASN HD21 H 1 8.276 0.030 . 2 . . . . 23 ASN HD21 . 11104 1 199 . 1 1 23 23 ASN HD22 H 1 7.075 0.030 . 2 . . . . 23 ASN HD22 . 11104 1 200 . 1 1 23 23 ASN C C 13 174.372 0.300 . 1 . . . . 23 ASN C . 11104 1 201 . 1 1 23 23 ASN CA C 13 53.563 0.300 . 1 . . . . 23 ASN CA . 11104 1 202 . 1 1 23 23 ASN CB C 13 40.493 0.300 . 1 . . . . 23 ASN CB . 11104 1 203 . 1 1 23 23 ASN N N 15 112.349 0.300 . 1 . . . . 23 ASN N . 11104 1 204 . 1 1 23 23 ASN ND2 N 15 116.825 0.300 . 1 . . . . 23 ASN ND2 . 11104 1 205 . 1 1 24 24 ALA H H 1 7.096 0.030 . 1 . . . . 24 ALA H . 11104 1 206 . 1 1 24 24 ALA HA H 1 4.415 0.030 . 1 . . . . 24 ALA HA . 11104 1 207 . 1 1 24 24 ALA HB1 H 1 1.125 0.030 . 1 . . . . 24 ALA HB . 11104 1 208 . 1 1 24 24 ALA HB2 H 1 1.125 0.030 . 1 . . . . 24 ALA HB . 11104 1 209 . 1 1 24 24 ALA HB3 H 1 1.125 0.030 . 1 . . . . 24 ALA HB . 11104 1 210 . 1 1 24 24 ALA C C 13 177.207 0.300 . 1 . . . . 24 ALA C . 11104 1 211 . 1 1 24 24 ALA CA C 13 51.557 0.300 . 1 . . . . 24 ALA CA . 11104 1 212 . 1 1 24 24 ALA CB C 13 18.445 0.300 . 1 . . . . 24 ALA CB . 11104 1 213 . 1 1 24 24 ALA N N 15 123.881 0.300 . 1 . . . . 24 ALA N . 11104 1 214 . 1 1 25 25 ASP H H 1 8.931 0.030 . 1 . . . . 25 ASP H . 11104 1 215 . 1 1 25 25 ASP HA H 1 4.262 0.030 . 1 . . . . 25 ASP HA . 11104 1 216 . 1 1 25 25 ASP HB2 H 1 2.658 0.030 . 1 . . . . 25 ASP HB2 . 11104 1 217 . 1 1 25 25 ASP HB3 H 1 2.658 0.030 . 1 . . . . 25 ASP HB3 . 11104 1 218 . 1 1 25 25 ASP C C 13 177.026 0.300 . 1 . . . . 25 ASP C . 11104 1 219 . 1 1 25 25 ASP CA C 13 58.534 0.300 . 1 . . . . 25 ASP CA . 11104 1 220 . 1 1 25 25 ASP CB C 13 40.802 0.300 . 1 . . . . 25 ASP CB . 11104 1 221 . 1 1 25 25 ASP N N 15 127.049 0.300 . 1 . . . . 25 ASP N . 11104 1 222 . 1 1 26 26 ILE H H 1 7.770 0.030 . 1 . . . . 26 ILE H . 11104 1 223 . 1 1 26 26 ILE HA H 1 5.265 0.030 . 1 . . . . 26 ILE HA . 11104 1 224 . 1 1 26 26 ILE HB H 1 1.974 0.030 . 1 . . . . 26 ILE HB . 11104 1 225 . 1 1 26 26 ILE HD11 H 1 0.688 0.030 . 1 . . . . 26 ILE HD1 . 11104 1 226 . 1 1 26 26 ILE HD12 H 1 0.688 0.030 . 1 . . . . 26 ILE HD1 . 11104 1 227 . 1 1 26 26 ILE HD13 H 1 0.688 0.030 . 1 . . . . 26 ILE HD1 . 11104 1 228 . 1 1 26 26 ILE HG12 H 1 1.449 0.030 . 2 . . . . 26 ILE HG12 . 11104 1 229 . 1 1 26 26 ILE HG13 H 1 0.742 0.030 . 2 . . . . 26 ILE HG13 . 11104 1 230 . 1 1 26 26 ILE HG21 H 1 0.818 0.030 . 1 . . . . 26 ILE HG2 . 11104 1 231 . 1 1 26 26 ILE HG22 H 1 0.818 0.030 . 1 . . . . 26 ILE HG2 . 11104 1 232 . 1 1 26 26 ILE HG23 H 1 0.818 0.030 . 1 . . . . 26 ILE HG2 . 11104 1 233 . 1 1 26 26 ILE C C 13 172.171 0.300 . 1 . . . . 26 ILE C . 11104 1 234 . 1 1 26 26 ILE CA C 13 60.418 0.300 . 1 . . . . 26 ILE CA . 11104 1 235 . 1 1 26 26 ILE CB C 13 39.785 0.300 . 1 . . . . 26 ILE CB . 11104 1 236 . 1 1 26 26 ILE CD1 C 13 14.644 0.300 . 1 . . . . 26 ILE CD1 . 11104 1 237 . 1 1 26 26 ILE CG1 C 13 29.709 0.300 . 1 . . . . 26 ILE CG1 . 11104 1 238 . 1 1 26 26 ILE CG2 C 13 15.191 0.300 . 1 . . . . 26 ILE CG2 . 11104 1 239 . 1 1 26 26 ILE N N 15 112.613 0.300 . 1 . . . . 26 ILE N . 11104 1 240 . 1 1 27 27 ILE H H 1 8.585 0.030 . 1 . . . . 27 ILE H . 11104 1 241 . 1 1 27 27 ILE HA H 1 4.701 0.030 . 1 . . . . 27 ILE HA . 11104 1 242 . 1 1 27 27 ILE HB H 1 1.600 0.030 . 1 . . . . 27 ILE HB . 11104 1 243 . 1 1 27 27 ILE HD11 H 1 0.405 0.030 . 1 . . . . 27 ILE HD1 . 11104 1 244 . 1 1 27 27 ILE HD12 H 1 0.405 0.030 . 1 . . . . 27 ILE HD1 . 11104 1 245 . 1 1 27 27 ILE HD13 H 1 0.405 0.030 . 1 . . . . 27 ILE HD1 . 11104 1 246 . 1 1 27 27 ILE HG12 H 1 1.605 0.030 . 2 . . . . 27 ILE HG12 . 11104 1 247 . 1 1 27 27 ILE HG13 H 1 0.581 0.030 . 2 . . . . 27 ILE HG13 . 11104 1 248 . 1 1 27 27 ILE HG21 H 1 0.840 0.030 . 1 . . . . 27 ILE HG2 . 11104 1 249 . 1 1 27 27 ILE HG22 H 1 0.840 0.030 . 1 . . . . 27 ILE HG2 . 11104 1 250 . 1 1 27 27 ILE HG23 H 1 0.840 0.030 . 1 . . . . 27 ILE HG2 . 11104 1 251 . 1 1 27 27 ILE C C 13 171.584 0.300 . 1 . . . . 27 ILE C . 11104 1 252 . 1 1 27 27 ILE CA C 13 59.610 0.300 . 1 . . . . 27 ILE CA . 11104 1 253 . 1 1 27 27 ILE CB C 13 41.456 0.300 . 1 . . . . 27 ILE CB . 11104 1 254 . 1 1 27 27 ILE CD1 C 13 14.892 0.300 . 1 . . . . 27 ILE CD1 . 11104 1 255 . 1 1 27 27 ILE CG1 C 13 27.293 0.300 . 1 . . . . 27 ILE CG1 . 11104 1 256 . 1 1 27 27 ILE CG2 C 13 17.025 0.300 . 1 . . . . 27 ILE CG2 . 11104 1 257 . 1 1 27 27 ILE N N 15 124.363 0.300 . 1 . . . . 27 ILE N . 11104 1 258 . 1 1 28 28 LEU H H 1 7.553 0.030 . 1 . . . . 28 LEU H . 11104 1 259 . 1 1 28 28 LEU HA H 1 5.107 0.030 . 1 . . . . 28 LEU HA . 11104 1 260 . 1 1 28 28 LEU HB2 H 1 1.987 0.030 . 2 . . . . 28 LEU HB2 . 11104 1 261 . 1 1 28 28 LEU HB3 H 1 1.293 0.030 . 2 . . . . 28 LEU HB3 . 11104 1 262 . 1 1 28 28 LEU HD11 H 1 0.766 0.030 . 1 . . . . 28 LEU HD1 . 11104 1 263 . 1 1 28 28 LEU HD12 H 1 0.766 0.030 . 1 . . . . 28 LEU HD1 . 11104 1 264 . 1 1 28 28 LEU HD13 H 1 0.766 0.030 . 1 . . . . 28 LEU HD1 . 11104 1 265 . 1 1 28 28 LEU HD21 H 1 0.695 0.030 . 1 . . . . 28 LEU HD2 . 11104 1 266 . 1 1 28 28 LEU HD22 H 1 0.695 0.030 . 1 . . . . 28 LEU HD2 . 11104 1 267 . 1 1 28 28 LEU HD23 H 1 0.695 0.030 . 1 . . . . 28 LEU HD2 . 11104 1 268 . 1 1 28 28 LEU HG H 1 1.988 0.030 . 1 . . . . 28 LEU HG . 11104 1 269 . 1 1 28 28 LEU C C 13 173.469 0.300 . 1 . . . . 28 LEU C . 11104 1 270 . 1 1 28 28 LEU CA C 13 53.518 0.300 . 1 . . . . 28 LEU CA . 11104 1 271 . 1 1 28 28 LEU CB C 13 43.790 0.300 . 1 . . . . 28 LEU CB . 11104 1 272 . 1 1 28 28 LEU CD1 C 13 24.045 0.300 . 2 . . . . 28 LEU CD1 . 11104 1 273 . 1 1 28 28 LEU CD2 C 13 25.541 0.300 . 2 . . . . 28 LEU CD2 . 11104 1 274 . 1 1 28 28 LEU CG C 13 26.259 0.300 . 1 . . . . 28 LEU CG . 11104 1 275 . 1 1 28 28 LEU N N 15 129.122 0.300 . 1 . . . . 28 LEU N . 11104 1 276 . 1 1 29 29 VAL H H 1 9.380 0.030 . 1 . . . . 29 VAL H . 11104 1 277 . 1 1 29 29 VAL HA H 1 4.252 0.030 . 1 . . . . 29 VAL HA . 11104 1 278 . 1 1 29 29 VAL HB H 1 2.035 0.030 . 1 . . . . 29 VAL HB . 11104 1 279 . 1 1 29 29 VAL HG11 H 1 0.242 0.030 . 1 . . . . 29 VAL HG1 . 11104 1 280 . 1 1 29 29 VAL HG12 H 1 0.242 0.030 . 1 . . . . 29 VAL HG1 . 11104 1 281 . 1 1 29 29 VAL HG13 H 1 0.242 0.030 . 1 . . . . 29 VAL HG1 . 11104 1 282 . 1 1 29 29 VAL HG21 H 1 0.599 0.030 . 1 . . . . 29 VAL HG2 . 11104 1 283 . 1 1 29 29 VAL HG22 H 1 0.599 0.030 . 1 . . . . 29 VAL HG2 . 11104 1 284 . 1 1 29 29 VAL HG23 H 1 0.599 0.030 . 1 . . . . 29 VAL HG2 . 11104 1 285 . 1 1 29 29 VAL C C 13 172.957 0.300 . 1 . . . . 29 VAL C . 11104 1 286 . 1 1 29 29 VAL CA C 13 61.192 0.300 . 1 . . . . 29 VAL CA . 11104 1 287 . 1 1 29 29 VAL CB C 13 34.849 0.300 . 1 . . . . 29 VAL CB . 11104 1 288 . 1 1 29 29 VAL CG1 C 13 22.379 0.300 . 2 . . . . 29 VAL CG1 . 11104 1 289 . 1 1 29 29 VAL CG2 C 13 22.077 0.300 . 2 . . . . 29 VAL CG2 . 11104 1 290 . 1 1 29 29 VAL N N 15 124.956 0.300 . 1 . . . . 29 VAL N . 11104 1 291 . 1 1 30 30 GLU H H 1 8.135 0.030 . 1 . . . . 30 GLU H . 11104 1 292 . 1 1 30 30 GLU HA H 1 4.850 0.030 . 1 . . . . 30 GLU HA . 11104 1 293 . 1 1 30 30 GLU HB2 H 1 1.949 0.030 . 2 . . . . 30 GLU HB2 . 11104 1 294 . 1 1 30 30 GLU HB3 H 1 1.222 0.030 . 2 . . . . 30 GLU HB3 . 11104 1 295 . 1 1 30 30 GLU HG2 H 1 1.798 0.030 . 2 . . . . 30 GLU HG2 . 11104 1 296 . 1 1 30 30 GLU HG3 H 1 1.682 0.030 . 2 . . . . 30 GLU HG3 . 11104 1 297 . 1 1 30 30 GLU C C 13 174.771 0.300 . 1 . . . . 30 GLU C . 11104 1 298 . 1 1 30 30 GLU CA C 13 53.770 0.300 . 1 . . . . 30 GLU CA . 11104 1 299 . 1 1 30 30 GLU CB C 13 29.443 0.300 . 1 . . . . 30 GLU CB . 11104 1 300 . 1 1 30 30 GLU CG C 13 31.671 0.300 . 1 . . . . 30 GLU CG . 11104 1 301 . 1 1 30 30 GLU N N 15 127.094 0.300 . 1 . . . . 30 GLU N . 11104 1 302 . 1 1 31 31 PHE H H 1 9.982 0.030 . 1 . . . . 31 PHE H . 11104 1 303 . 1 1 31 31 PHE HA H 1 5.541 0.030 . 1 . . . . 31 PHE HA . 11104 1 304 . 1 1 31 31 PHE HB2 H 1 3.419 0.030 . 2 . . . . 31 PHE HB2 . 11104 1 305 . 1 1 31 31 PHE HB3 H 1 2.790 0.030 . 2 . . . . 31 PHE HB3 . 11104 1 306 . 1 1 31 31 PHE HD1 H 1 7.134 0.030 . 1 . . . . 31 PHE HD1 . 11104 1 307 . 1 1 31 31 PHE HD2 H 1 7.134 0.030 . 1 . . . . 31 PHE HD2 . 11104 1 308 . 1 1 31 31 PHE HE1 H 1 6.906 0.030 . 1 . . . . 31 PHE HE1 . 11104 1 309 . 1 1 31 31 PHE HE2 H 1 6.906 0.030 . 1 . . . . 31 PHE HE2 . 11104 1 310 . 1 1 31 31 PHE C C 13 175.280 0.300 . 1 . . . . 31 PHE C . 11104 1 311 . 1 1 31 31 PHE CA C 13 56.958 0.300 . 1 . . . . 31 PHE CA . 11104 1 312 . 1 1 31 31 PHE CB C 13 40.289 0.300 . 1 . . . . 31 PHE CB . 11104 1 313 . 1 1 31 31 PHE CD1 C 13 132.174 0.300 . 1 . . . . 31 PHE CD1 . 11104 1 314 . 1 1 31 31 PHE CD2 C 13 132.174 0.300 . 1 . . . . 31 PHE CD2 . 11104 1 315 . 1 1 31 31 PHE CE1 C 13 129.932 0.300 . 1 . . . . 31 PHE CE1 . 11104 1 316 . 1 1 31 31 PHE CE2 C 13 129.932 0.300 . 1 . . . . 31 PHE CE2 . 11104 1 317 . 1 1 31 31 PHE N N 15 128.615 0.300 . 1 . . . . 31 PHE N . 11104 1 318 . 1 1 32 32 TYR H H 1 9.054 0.030 . 1 . . . . 32 TYR H . 11104 1 319 . 1 1 32 32 TYR HA H 1 5.285 0.030 . 1 . . . . 32 TYR HA . 11104 1 320 . 1 1 32 32 TYR HB2 H 1 2.775 0.030 . 2 . . . . 32 TYR HB2 . 11104 1 321 . 1 1 32 32 TYR HB3 H 1 2.543 0.030 . 2 . . . . 32 TYR HB3 . 11104 1 322 . 1 1 32 32 TYR HD1 H 1 6.535 0.030 . 1 . . . . 32 TYR HD1 . 11104 1 323 . 1 1 32 32 TYR HD2 H 1 6.535 0.030 . 1 . . . . 32 TYR HD2 . 11104 1 324 . 1 1 32 32 TYR HE1 H 1 6.446 0.030 . 1 . . . . 32 TYR HE1 . 11104 1 325 . 1 1 32 32 TYR HE2 H 1 6.446 0.030 . 1 . . . . 32 TYR HE2 . 11104 1 326 . 1 1 32 32 TYR C C 13 170.654 0.300 . 1 . . . . 32 TYR C . 11104 1 327 . 1 1 32 32 TYR CA C 13 54.837 0.300 . 1 . . . . 32 TYR CA . 11104 1 328 . 1 1 32 32 TYR CB C 13 43.002 0.300 . 1 . . . . 32 TYR CB . 11104 1 329 . 1 1 32 32 TYR CD1 C 13 133.195 0.300 . 1 . . . . 32 TYR CD1 . 11104 1 330 . 1 1 32 32 TYR CD2 C 13 133.195 0.300 . 1 . . . . 32 TYR CD2 . 11104 1 331 . 1 1 32 32 TYR CE1 C 13 117.451 0.300 . 1 . . . . 32 TYR CE1 . 11104 1 332 . 1 1 32 32 TYR CE2 C 13 117.451 0.300 . 1 . . . . 32 TYR CE2 . 11104 1 333 . 1 1 32 32 TYR N N 15 121.142 0.300 . 1 . . . . 32 TYR N . 11104 1 334 . 1 1 33 33 ALA H H 1 7.228 0.030 . 1 . . . . 33 ALA H . 11104 1 335 . 1 1 33 33 ALA HA H 1 4.336 0.030 . 1 . . . . 33 ALA HA . 11104 1 336 . 1 1 33 33 ALA HB1 H 1 -0.576 0.030 . 1 . . . . 33 ALA HB . 11104 1 337 . 1 1 33 33 ALA HB2 H 1 -0.576 0.030 . 1 . . . . 33 ALA HB . 11104 1 338 . 1 1 33 33 ALA HB3 H 1 -0.576 0.030 . 1 . . . . 33 ALA HB . 11104 1 339 . 1 1 33 33 ALA C C 13 176.888 0.300 . 1 . . . . 33 ALA C . 11104 1 340 . 1 1 33 33 ALA CA C 13 47.805 0.300 . 1 . . . . 33 ALA CA . 11104 1 341 . 1 1 33 33 ALA CB C 13 19.701 0.300 . 1 . . . . 33 ALA CB . 11104 1 342 . 1 1 33 33 ALA N N 15 119.997 0.300 . 1 . . . . 33 ALA N . 11104 1 343 . 1 1 34 34 PRO HA H 1 4.258 0.030 . 1 . . . . 34 PRO HA . 11104 1 344 . 1 1 34 34 PRO HB2 H 1 2.366 0.030 . 2 . . . . 34 PRO HB2 . 11104 1 345 . 1 1 34 34 PRO HB3 H 1 2.030 0.030 . 2 . . . . 34 PRO HB3 . 11104 1 346 . 1 1 34 34 PRO HD2 H 1 3.476 0.030 . 2 . . . . 34 PRO HD2 . 11104 1 347 . 1 1 34 34 PRO HD3 H 1 3.277 0.030 . 2 . . . . 34 PRO HD3 . 11104 1 348 . 1 1 34 34 PRO HG2 H 1 2.092 0.030 . 1 . . . . 34 PRO HG2 . 11104 1 349 . 1 1 34 34 PRO HG3 H 1 2.092 0.030 . 1 . . . . 34 PRO HG3 . 11104 1 350 . 1 1 34 34 PRO C C 13 175.782 0.300 . 1 . . . . 34 PRO C . 11104 1 351 . 1 1 34 34 PRO CA C 13 64.592 0.300 . 1 . . . . 34 PRO CA . 11104 1 352 . 1 1 34 34 PRO CB C 13 32.089 0.300 . 1 . . . . 34 PRO CB . 11104 1 353 . 1 1 34 34 PRO CD C 13 51.299 0.300 . 1 . . . . 34 PRO CD . 11104 1 354 . 1 1 34 34 PRO CG C 13 27.634 0.300 . 1 . . . . 34 PRO CG . 11104 1 355 . 1 1 35 35 TRP H H 1 5.993 0.030 . 1 . . . . 35 TRP H . 11104 1 356 . 1 1 35 35 TRP HA H 1 4.582 0.030 . 1 . . . . 35 TRP HA . 11104 1 357 . 1 1 35 35 TRP HB2 H 1 3.589 0.030 . 2 . . . . 35 TRP HB2 . 11104 1 358 . 1 1 35 35 TRP HB3 H 1 3.206 0.030 . 2 . . . . 35 TRP HB3 . 11104 1 359 . 1 1 35 35 TRP HD1 H 1 7.362 0.030 . 1 . . . . 35 TRP HD1 . 11104 1 360 . 1 1 35 35 TRP HE1 H 1 10.312 0.030 . 1 . . . . 35 TRP HE1 . 11104 1 361 . 1 1 35 35 TRP HE3 H 1 7.370 0.030 . 1 . . . . 35 TRP HE3 . 11104 1 362 . 1 1 35 35 TRP HH2 H 1 7.412 0.030 . 1 . . . . 35 TRP HH2 . 11104 1 363 . 1 1 35 35 TRP HZ2 H 1 7.487 0.030 . 1 . . . . 35 TRP HZ2 . 11104 1 364 . 1 1 35 35 TRP HZ3 H 1 7.300 0.030 . 1 . . . . 35 TRP HZ3 . 11104 1 365 . 1 1 35 35 TRP C C 13 176.120 0.300 . 1 . . . . 35 TRP C . 11104 1 366 . 1 1 35 35 TRP CA C 13 53.786 0.300 . 1 . . . . 35 TRP CA . 11104 1 367 . 1 1 35 35 TRP CB C 13 29.411 0.300 . 1 . . . . 35 TRP CB . 11104 1 368 . 1 1 35 35 TRP CD1 C 13 128.460 0.300 . 1 . . . . 35 TRP CD1 . 11104 1 369 . 1 1 35 35 TRP CE3 C 13 120.982 0.300 . 1 . . . . 35 TRP CE3 . 11104 1 370 . 1 1 35 35 TRP CH2 C 13 125.574 0.300 . 1 . . . . 35 TRP CH2 . 11104 1 371 . 1 1 35 35 TRP CZ2 C 13 114.941 0.300 . 1 . . . . 35 TRP CZ2 . 11104 1 372 . 1 1 35 35 TRP CZ3 C 13 122.323 0.300 . 1 . . . . 35 TRP CZ3 . 11104 1 373 . 1 1 35 35 TRP N N 15 109.749 0.300 . 1 . . . . 35 TRP N . 11104 1 374 . 1 1 35 35 TRP NE1 N 15 130.741 0.300 . 1 . . . . 35 TRP NE1 . 11104 1 375 . 1 1 36 36 CYS H H 1 6.676 0.030 . 1 . . . . 36 CYS H . 11104 1 376 . 1 1 36 36 CYS HA H 1 4.394 0.030 . 1 . . . . 36 CYS HA . 11104 1 377 . 1 1 36 36 CYS HB2 H 1 2.701 0.030 . 2 . . . . 36 CYS HB2 . 11104 1 378 . 1 1 36 36 CYS HB3 H 1 2.294 0.030 . 2 . . . . 36 CYS HB3 . 11104 1 379 . 1 1 36 36 CYS C C 13 178.003 0.300 . 1 . . . . 36 CYS C . 11104 1 380 . 1 1 36 36 CYS CA C 13 60.127 0.300 . 1 . . . . 36 CYS CA . 11104 1 381 . 1 1 36 36 CYS CB C 13 29.954 0.300 . 1 . . . . 36 CYS CB . 11104 1 382 . 1 1 36 36 CYS N N 15 126.535 0.300 . 1 . . . . 36 CYS N . 11104 1 383 . 1 1 37 37 GLY H H 1 9.112 0.030 . 1 . . . . 37 GLY H . 11104 1 384 . 1 1 37 37 GLY HA2 H 1 4.030 0.030 . 2 . . . . 37 GLY HA2 . 11104 1 385 . 1 1 37 37 GLY HA3 H 1 3.812 0.030 . 2 . . . . 37 GLY HA3 . 11104 1 386 . 1 1 37 37 GLY C C 13 177.142 0.300 . 1 . . . . 37 GLY C . 11104 1 387 . 1 1 37 37 GLY CA C 13 47.649 0.300 . 1 . . . . 37 GLY CA . 11104 1 388 . 1 1 37 37 GLY N N 15 118.934 0.300 . 1 . . . . 37 GLY N . 11104 1 389 . 1 1 38 38 HIS H H 1 9.521 0.030 . 1 . . . . 38 HIS H . 11104 1 390 . 1 1 38 38 HIS HA H 1 4.583 0.030 . 1 . . . . 38 HIS HA . 11104 1 391 . 1 1 38 38 HIS HB2 H 1 3.458 0.030 . 2 . . . . 38 HIS HB2 . 11104 1 392 . 1 1 38 38 HIS HB3 H 1 3.067 0.030 . 2 . . . . 38 HIS HB3 . 11104 1 393 . 1 1 38 38 HIS HD2 H 1 7.303 0.030 . 1 . . . . 38 HIS HD2 . 11104 1 394 . 1 1 38 38 HIS HE1 H 1 7.829 0.030 . 1 . . . . 38 HIS HE1 . 11104 1 395 . 1 1 38 38 HIS C C 13 180.552 0.300 . 1 . . . . 38 HIS C . 11104 1 396 . 1 1 38 38 HIS CA C 13 59.316 0.300 . 1 . . . . 38 HIS CA . 11104 1 397 . 1 1 38 38 HIS CB C 13 31.029 0.300 . 1 . . . . 38 HIS CB . 11104 1 398 . 1 1 38 38 HIS CD2 C 13 119.959 0.300 . 1 . . . . 38 HIS CD2 . 11104 1 399 . 1 1 38 38 HIS CE1 C 13 139.349 0.300 . 1 . . . . 38 HIS CE1 . 11104 1 400 . 1 1 38 38 HIS N N 15 127.559 0.300 . 1 . . . . 38 HIS N . 11104 1 401 . 1 1 39 39 CYS H H 1 9.788 0.030 . 1 . . . . 39 CYS H . 11104 1 402 . 1 1 39 39 CYS HA H 1 3.951 0.030 . 1 . . . . 39 CYS HA . 11104 1 403 . 1 1 39 39 CYS HB2 H 1 3.534 0.030 . 2 . . . . 39 CYS HB2 . 11104 1 404 . 1 1 39 39 CYS HB3 H 1 2.744 0.030 . 2 . . . . 39 CYS HB3 . 11104 1 405 . 1 1 39 39 CYS C C 13 178.461 0.300 . 1 . . . . 39 CYS C . 11104 1 406 . 1 1 39 39 CYS CA C 13 64.382 0.300 . 1 . . . . 39 CYS CA . 11104 1 407 . 1 1 39 39 CYS CB C 13 28.772 0.300 . 1 . . . . 39 CYS CB . 11104 1 408 . 1 1 39 39 CYS N N 15 128.365 0.300 . 1 . . . . 39 CYS N . 11104 1 409 . 1 1 40 40 LYS H H 1 8.769 0.030 . 1 . . . . 40 LYS H . 11104 1 410 . 1 1 40 40 LYS HA H 1 3.951 0.030 . 1 . . . . 40 LYS HA . 11104 1 411 . 1 1 40 40 LYS HB2 H 1 1.866 0.030 . 1 . . . . 40 LYS HB2 . 11104 1 412 . 1 1 40 40 LYS HB3 H 1 1.866 0.030 . 1 . . . . 40 LYS HB3 . 11104 1 413 . 1 1 40 40 LYS HD2 H 1 1.677 0.030 . 2 . . . . 40 LYS HD2 . 11104 1 414 . 1 1 40 40 LYS HD3 H 1 1.611 0.030 . 2 . . . . 40 LYS HD3 . 11104 1 415 . 1 1 40 40 LYS HE2 H 1 2.941 0.030 . 1 . . . . 40 LYS HE2 . 11104 1 416 . 1 1 40 40 LYS HE3 H 1 2.941 0.030 . 1 . . . . 40 LYS HE3 . 11104 1 417 . 1 1 40 40 LYS HG2 H 1 1.587 0.030 . 1 . . . . 40 LYS HG2 . 11104 1 418 . 1 1 40 40 LYS HG3 H 1 1.587 0.030 . 1 . . . . 40 LYS HG3 . 11104 1 419 . 1 1 40 40 LYS C C 13 178.846 0.300 . 1 . . . . 40 LYS C . 11104 1 420 . 1 1 40 40 LYS CA C 13 60.097 0.300 . 1 . . . . 40 LYS CA . 11104 1 421 . 1 1 40 40 LYS CB C 13 32.668 0.300 . 1 . . . . 40 LYS CB . 11104 1 422 . 1 1 40 40 LYS CD C 13 29.583 0.300 . 1 . . . . 40 LYS CD . 11104 1 423 . 1 1 40 40 LYS CE C 13 42.128 0.300 . 1 . . . . 40 LYS CE . 11104 1 424 . 1 1 40 40 LYS CG C 13 25.559 0.300 . 1 . . . . 40 LYS CG . 11104 1 425 . 1 1 40 40 LYS N N 15 123.127 0.300 . 1 . . . . 40 LYS N . 11104 1 426 . 1 1 41 41 LYS H H 1 7.482 0.030 . 1 . . . . 41 LYS H . 11104 1 427 . 1 1 41 41 LYS HA H 1 4.103 0.030 . 1 . . . . 41 LYS HA . 11104 1 428 . 1 1 41 41 LYS HB2 H 1 1.971 0.030 . 2 . . . . 41 LYS HB2 . 11104 1 429 . 1 1 41 41 LYS HD2 H 1 1.754 0.030 . 1 . . . . 41 LYS HD2 . 11104 1 430 . 1 1 41 41 LYS HD3 H 1 1.754 0.030 . 1 . . . . 41 LYS HD3 . 11104 1 431 . 1 1 41 41 LYS HE2 H 1 3.037 0.030 . 2 . . . . 41 LYS HE2 . 11104 1 432 . 1 1 41 41 LYS HG2 H 1 1.513 0.030 . 2 . . . . 41 LYS HG2 . 11104 1 433 . 1 1 41 41 LYS HG3 H 1 1.602 0.030 . 2 . . . . 41 LYS HG3 . 11104 1 434 . 1 1 41 41 LYS C C 13 178.055 0.300 . 1 . . . . 41 LYS C . 11104 1 435 . 1 1 41 41 LYS CA C 13 58.856 0.300 . 1 . . . . 41 LYS CA . 11104 1 436 . 1 1 41 41 LYS CB C 13 32.782 0.300 . 1 . . . . 41 LYS CB . 11104 1 437 . 1 1 41 41 LYS CD C 13 29.401 0.300 . 1 . . . . 41 LYS CD . 11104 1 438 . 1 1 41 41 LYS CE C 13 42.169 0.300 . 1 . . . . 41 LYS CE . 11104 1 439 . 1 1 41 41 LYS CG C 13 25.224 0.300 . 1 . . . . 41 LYS CG . 11104 1 440 . 1 1 41 41 LYS N N 15 118.507 0.300 . 1 . . . . 41 LYS N . 11104 1 441 . 1 1 42 42 LEU H H 1 7.407 0.030 . 1 . . . . 42 LEU H . 11104 1 442 . 1 1 42 42 LEU HA H 1 4.388 0.030 . 1 . . . . 42 LEU HA . 11104 1 443 . 1 1 42 42 LEU HB2 H 1 1.736 0.030 . 2 . . . . 42 LEU HB2 . 11104 1 444 . 1 1 42 42 LEU HB3 H 1 1.598 0.030 . 2 . . . . 42 LEU HB3 . 11104 1 445 . 1 1 42 42 LEU HD11 H 1 0.985 0.030 . 1 . . . . 42 LEU HD1 . 11104 1 446 . 1 1 42 42 LEU HD12 H 1 0.985 0.030 . 1 . . . . 42 LEU HD1 . 11104 1 447 . 1 1 42 42 LEU HD13 H 1 0.985 0.030 . 1 . . . . 42 LEU HD1 . 11104 1 448 . 1 1 42 42 LEU HD21 H 1 0.727 0.030 . 1 . . . . 42 LEU HD2 . 11104 1 449 . 1 1 42 42 LEU HD22 H 1 0.727 0.030 . 1 . . . . 42 LEU HD2 . 11104 1 450 . 1 1 42 42 LEU HD23 H 1 0.727 0.030 . 1 . . . . 42 LEU HD2 . 11104 1 451 . 1 1 42 42 LEU HG H 1 1.481 0.030 . 1 . . . . 42 LEU HG . 11104 1 452 . 1 1 42 42 LEU C C 13 177.914 0.300 . 1 . . . . 42 LEU C . 11104 1 453 . 1 1 42 42 LEU CA C 13 56.203 0.300 . 1 . . . . 42 LEU CA . 11104 1 454 . 1 1 42 42 LEU CB C 13 42.456 0.300 . 1 . . . . 42 LEU CB . 11104 1 455 . 1 1 42 42 LEU CD1 C 13 23.433 0.300 . 2 . . . . 42 LEU CD1 . 11104 1 456 . 1 1 42 42 LEU CD2 C 13 26.758 0.300 . 2 . . . . 42 LEU CD2 . 11104 1 457 . 1 1 42 42 LEU CG C 13 27.506 0.300 . 1 . . . . 42 LEU CG . 11104 1 458 . 1 1 42 42 LEU N N 15 117.308 0.300 . 1 . . . . 42 LEU N . 11104 1 459 . 1 1 43 43 ALA H H 1 7.559 0.030 . 1 . . . . 43 ALA H . 11104 1 460 . 1 1 43 43 ALA HA H 1 4.139 0.030 . 1 . . . . 43 ALA HA . 11104 1 461 . 1 1 43 43 ALA HB1 H 1 1.396 0.030 . 1 . . . . 43 ALA HB . 11104 1 462 . 1 1 43 43 ALA HB2 H 1 1.396 0.030 . 1 . . . . 43 ALA HB . 11104 1 463 . 1 1 43 43 ALA HB3 H 1 1.396 0.030 . 1 . . . . 43 ALA HB . 11104 1 464 . 1 1 43 43 ALA C C 13 176.117 0.300 . 1 . . . . 43 ALA C . 11104 1 465 . 1 1 43 43 ALA CA C 13 57.147 0.300 . 1 . . . . 43 ALA CA . 11104 1 466 . 1 1 43 43 ALA CB C 13 15.559 0.300 . 1 . . . . 43 ALA CB . 11104 1 467 . 1 1 43 43 ALA N N 15 119.999 0.300 . 1 . . . . 43 ALA N . 11104 1 468 . 1 1 44 44 PRO HA H 1 4.444 0.030 . 1 . . . . 44 PRO HA . 11104 1 469 . 1 1 44 44 PRO HB2 H 1 2.320 0.030 . 2 . . . . 44 PRO HB2 . 11104 1 470 . 1 1 44 44 PRO HB3 H 1 1.957 0.030 . 2 . . . . 44 PRO HB3 . 11104 1 471 . 1 1 44 44 PRO HD2 H 1 3.967 0.030 . 2 . . . . 44 PRO HD2 . 11104 1 472 . 1 1 44 44 PRO HD3 H 1 3.704 0.030 . 2 . . . . 44 PRO HD3 . 11104 1 473 . 1 1 44 44 PRO HG2 H 1 2.112 0.030 . 1 . . . . 44 PRO HG2 . 11104 1 474 . 1 1 44 44 PRO HG3 H 1 2.112 0.030 . 1 . . . . 44 PRO HG3 . 11104 1 475 . 1 1 44 44 PRO C C 13 180.327 0.300 . 1 . . . . 44 PRO C . 11104 1 476 . 1 1 44 44 PRO CA C 13 65.702 0.300 . 1 . . . . 44 PRO CA . 11104 1 477 . 1 1 44 44 PRO CB C 13 31.012 0.300 . 1 . . . . 44 PRO CB . 11104 1 478 . 1 1 44 44 PRO CD C 13 50.117 0.300 . 1 . . . . 44 PRO CD . 11104 1 479 . 1 1 44 44 PRO CG C 13 28.546 0.300 . 1 . . . . 44 PRO CG . 11104 1 480 . 1 1 45 45 GLU H H 1 6.899 0.030 . 1 . . . . 45 GLU H . 11104 1 481 . 1 1 45 45 GLU HA H 1 3.977 0.030 . 1 . . . . 45 GLU HA . 11104 1 482 . 1 1 45 45 GLU HB2 H 1 2.273 0.030 . 2 . . . . 45 GLU HB2 . 11104 1 483 . 1 1 45 45 GLU HB3 H 1 2.003 0.030 . 2 . . . . 45 GLU HB3 . 11104 1 484 . 1 1 45 45 GLU HG2 H 1 2.711 0.030 . 2 . . . . 45 GLU HG2 . 11104 1 485 . 1 1 45 45 GLU HG3 H 1 2.397 0.030 . 2 . . . . 45 GLU HG3 . 11104 1 486 . 1 1 45 45 GLU C C 13 177.598 0.300 . 1 . . . . 45 GLU C . 11104 1 487 . 1 1 45 45 GLU CA C 13 58.142 0.300 . 1 . . . . 45 GLU CA . 11104 1 488 . 1 1 45 45 GLU CB C 13 29.995 0.300 . 1 . . . . 45 GLU CB . 11104 1 489 . 1 1 45 45 GLU CG C 13 35.699 0.300 . 1 . . . . 45 GLU CG . 11104 1 490 . 1 1 45 45 GLU N N 15 116.818 0.300 . 1 . . . . 45 GLU N . 11104 1 491 . 1 1 46 46 TYR H H 1 8.553 0.030 . 1 . . . . 46 TYR H . 11104 1 492 . 1 1 46 46 TYR HA H 1 3.626 0.030 . 1 . . . . 46 TYR HA . 11104 1 493 . 1 1 46 46 TYR HB2 H 1 3.041 0.030 . 2 . . . . 46 TYR HB2 . 11104 1 494 . 1 1 46 46 TYR HB3 H 1 2.569 0.030 . 2 . . . . 46 TYR HB3 . 11104 1 495 . 1 1 46 46 TYR HD1 H 1 6.673 0.030 . 1 . . . . 46 TYR HD1 . 11104 1 496 . 1 1 46 46 TYR HD2 H 1 6.673 0.030 . 1 . . . . 46 TYR HD2 . 11104 1 497 . 1 1 46 46 TYR HE1 H 1 6.219 0.030 . 1 . . . . 46 TYR HE1 . 11104 1 498 . 1 1 46 46 TYR HE2 H 1 6.219 0.030 . 1 . . . . 46 TYR HE2 . 11104 1 499 . 1 1 46 46 TYR C C 13 176.970 0.300 . 1 . . . . 46 TYR C . 11104 1 500 . 1 1 46 46 TYR CA C 13 62.511 0.300 . 1 . . . . 46 TYR CA . 11104 1 501 . 1 1 46 46 TYR CB C 13 39.711 0.300 . 1 . . . . 46 TYR CB . 11104 1 502 . 1 1 46 46 TYR CD1 C 13 131.949 0.300 . 1 . . . . 46 TYR CD1 . 11104 1 503 . 1 1 46 46 TYR CD2 C 13 131.949 0.300 . 1 . . . . 46 TYR CD2 . 11104 1 504 . 1 1 46 46 TYR CE1 C 13 117.920 0.300 . 1 . . . . 46 TYR CE1 . 11104 1 505 . 1 1 46 46 TYR CE2 C 13 117.920 0.300 . 1 . . . . 46 TYR CE2 . 11104 1 506 . 1 1 46 46 TYR N N 15 122.032 0.300 . 1 . . . . 46 TYR N . 11104 1 507 . 1 1 47 47 GLU H H 1 8.018 0.030 . 1 . . . . 47 GLU H . 11104 1 508 . 1 1 47 47 GLU HA H 1 3.920 0.030 . 1 . . . . 47 GLU HA . 11104 1 509 . 1 1 47 47 GLU HB2 H 1 2.104 0.030 . 2 . . . . 47 GLU HB2 . 11104 1 510 . 1 1 47 47 GLU HB3 H 1 1.942 0.030 . 2 . . . . 47 GLU HB3 . 11104 1 511 . 1 1 47 47 GLU HG2 H 1 2.198 0.030 . 2 . . . . 47 GLU HG2 . 11104 1 512 . 1 1 47 47 GLU HG3 H 1 2.422 0.030 . 2 . . . . 47 GLU HG3 . 11104 1 513 . 1 1 47 47 GLU C C 13 178.942 0.300 . 1 . . . . 47 GLU C . 11104 1 514 . 1 1 47 47 GLU CA C 13 58.608 0.300 . 1 . . . . 47 GLU CA . 11104 1 515 . 1 1 47 47 GLU CB C 13 29.014 0.300 . 1 . . . . 47 GLU CB . 11104 1 516 . 1 1 47 47 GLU CG C 13 35.422 0.300 . 1 . . . . 47 GLU CG . 11104 1 517 . 1 1 47 47 GLU N N 15 116.179 0.300 . 1 . . . . 47 GLU N . 11104 1 518 . 1 1 48 48 LYS H H 1 7.642 0.030 . 1 . . . . 48 LYS H . 11104 1 519 . 1 1 48 48 LYS HA H 1 3.931 0.030 . 1 . . . . 48 LYS HA . 11104 1 520 . 1 1 48 48 LYS HB2 H 1 1.805 0.030 . 2 . . . . 48 LYS HB2 . 11104 1 521 . 1 1 48 48 LYS HB3 H 1 1.673 0.030 . 2 . . . . 48 LYS HB3 . 11104 1 522 . 1 1 48 48 LYS HD2 H 1 1.570 0.030 . 2 . . . . 48 LYS HD2 . 11104 1 523 . 1 1 48 48 LYS HD3 H 1 1.716 0.030 . 2 . . . . 48 LYS HD3 . 11104 1 524 . 1 1 48 48 LYS HE2 H 1 2.855 0.030 . 1 . . . . 48 LYS HE2 . 11104 1 525 . 1 1 48 48 LYS HE3 H 1 2.855 0.030 . 1 . . . . 48 LYS HE3 . 11104 1 526 . 1 1 48 48 LYS HG2 H 1 1.736 0.030 . 2 . . . . 48 LYS HG2 . 11104 1 527 . 1 1 48 48 LYS HG3 H 1 1.476 0.030 . 2 . . . . 48 LYS HG3 . 11104 1 528 . 1 1 48 48 LYS C C 13 180.062 0.300 . 1 . . . . 48 LYS C . 11104 1 529 . 1 1 48 48 LYS CA C 13 59.987 0.300 . 1 . . . . 48 LYS CA . 11104 1 530 . 1 1 48 48 LYS CB C 13 32.848 0.300 . 1 . . . . 48 LYS CB . 11104 1 531 . 1 1 48 48 LYS CD C 13 29.860 0.300 . 1 . . . . 48 LYS CD . 11104 1 532 . 1 1 48 48 LYS CE C 13 42.241 0.300 . 1 . . . . 48 LYS CE . 11104 1 533 . 1 1 48 48 LYS CG C 13 26.322 0.300 . 1 . . . . 48 LYS CG . 11104 1 534 . 1 1 48 48 LYS N N 15 118.373 0.300 . 1 . . . . 48 LYS N . 11104 1 535 . 1 1 49 49 ALA H H 1 8.165 0.030 . 1 . . . . 49 ALA H . 11104 1 536 . 1 1 49 49 ALA HA H 1 3.639 0.030 . 1 . . . . 49 ALA HA . 11104 1 537 . 1 1 49 49 ALA HB1 H 1 1.246 0.030 . 1 . . . . 49 ALA HB . 11104 1 538 . 1 1 49 49 ALA HB2 H 1 1.246 0.030 . 1 . . . . 49 ALA HB . 11104 1 539 . 1 1 49 49 ALA HB3 H 1 1.246 0.030 . 1 . . . . 49 ALA HB . 11104 1 540 . 1 1 49 49 ALA C C 13 178.518 0.300 . 1 . . . . 49 ALA C . 11104 1 541 . 1 1 49 49 ALA CA C 13 54.790 0.300 . 1 . . . . 49 ALA CA . 11104 1 542 . 1 1 49 49 ALA CB C 13 18.127 0.300 . 1 . . . . 49 ALA CB . 11104 1 543 . 1 1 49 49 ALA N N 15 122.605 0.300 . 1 . . . . 49 ALA N . 11104 1 544 . 1 1 50 50 ALA H H 1 8.405 0.030 . 1 . . . . 50 ALA H . 11104 1 545 . 1 1 50 50 ALA HA H 1 3.772 0.030 . 1 . . . . 50 ALA HA . 11104 1 546 . 1 1 50 50 ALA HB1 H 1 1.283 0.030 . 1 . . . . 50 ALA HB . 11104 1 547 . 1 1 50 50 ALA HB2 H 1 1.283 0.030 . 1 . . . . 50 ALA HB . 11104 1 548 . 1 1 50 50 ALA HB3 H 1 1.283 0.030 . 1 . . . . 50 ALA HB . 11104 1 549 . 1 1 50 50 ALA C C 13 181.163 0.300 . 1 . . . . 50 ALA C . 11104 1 550 . 1 1 50 50 ALA CA C 13 55.045 0.300 . 1 . . . . 50 ALA CA . 11104 1 551 . 1 1 50 50 ALA CB C 13 19.359 0.300 . 1 . . . . 50 ALA CB . 11104 1 552 . 1 1 50 50 ALA N N 15 121.182 0.300 . 1 . . . . 50 ALA N . 11104 1 553 . 1 1 51 51 LYS H H 1 8.103 0.030 . 1 . . . . 51 LYS H . 11104 1 554 . 1 1 51 51 LYS HA H 1 3.884 0.030 . 1 . . . . 51 LYS HA . 11104 1 555 . 1 1 51 51 LYS HB2 H 1 1.949 0.030 . 1 . . . . 51 LYS HB2 . 11104 1 556 . 1 1 51 51 LYS HB3 H 1 1.949 0.030 . 1 . . . . 51 LYS HB3 . 11104 1 557 . 1 1 51 51 LYS HD2 H 1 1.687 0.030 . 1 . . . . 51 LYS HD2 . 11104 1 558 . 1 1 51 51 LYS HD3 H 1 1.687 0.030 . 1 . . . . 51 LYS HD3 . 11104 1 559 . 1 1 51 51 LYS HE2 H 1 2.955 0.030 . 2 . . . . 51 LYS HE2 . 11104 1 560 . 1 1 51 51 LYS HG2 H 1 1.409 0.030 . 2 . . . . 51 LYS HG2 . 11104 1 561 . 1 1 51 51 LYS HG3 H 1 1.606 0.030 . 2 . . . . 51 LYS HG3 . 11104 1 562 . 1 1 51 51 LYS C C 13 179.855 0.300 . 1 . . . . 51 LYS C . 11104 1 563 . 1 1 51 51 LYS CA C 13 59.852 0.300 . 1 . . . . 51 LYS CA . 11104 1 564 . 1 1 51 51 LYS CB C 13 32.291 0.300 . 1 . . . . 51 LYS CB . 11104 1 565 . 1 1 51 51 LYS CD C 13 29.375 0.300 . 1 . . . . 51 LYS CD . 11104 1 566 . 1 1 51 51 LYS CE C 13 42.280 0.300 . 1 . . . . 51 LYS CE . 11104 1 567 . 1 1 51 51 LYS CG C 13 25.511 0.300 . 1 . . . . 51 LYS CG . 11104 1 568 . 1 1 51 51 LYS N N 15 118.748 0.300 . 1 . . . . 51 LYS N . 11104 1 569 . 1 1 52 52 GLU H H 1 7.577 0.030 . 1 . . . . 52 GLU H . 11104 1 570 . 1 1 52 52 GLU HA H 1 4.046 0.030 . 1 . . . . 52 GLU HA . 11104 1 571 . 1 1 52 52 GLU HB2 H 1 2.033 0.030 . 1 . . . . 52 GLU HB2 . 11104 1 572 . 1 1 52 52 GLU HB3 H 1 2.033 0.030 . 1 . . . . 52 GLU HB3 . 11104 1 573 . 1 1 52 52 GLU HG2 H 1 2.351 0.030 . 2 . . . . 52 GLU HG2 . 11104 1 574 . 1 1 52 52 GLU HG3 H 1 2.229 0.030 . 2 . . . . 52 GLU HG3 . 11104 1 575 . 1 1 52 52 GLU C C 13 180.293 0.300 . 1 . . . . 52 GLU C . 11104 1 576 . 1 1 52 52 GLU CA C 13 59.287 0.300 . 1 . . . . 52 GLU CA . 11104 1 577 . 1 1 52 52 GLU CB C 13 29.584 0.300 . 1 . . . . 52 GLU CB . 11104 1 578 . 1 1 52 52 GLU CG C 13 35.449 0.300 . 1 . . . . 52 GLU CG . 11104 1 579 . 1 1 52 52 GLU N N 15 119.720 0.300 . 1 . . . . 52 GLU N . 11104 1 580 . 1 1 53 53 LEU H H 1 8.676 0.030 . 1 . . . . 53 LEU H . 11104 1 581 . 1 1 53 53 LEU HA H 1 4.029 0.030 . 1 . . . . 53 LEU HA . 11104 1 582 . 1 1 53 53 LEU HB2 H 1 1.968 0.030 . 2 . . . . 53 LEU HB2 . 11104 1 583 . 1 1 53 53 LEU HB3 H 1 1.784 0.030 . 2 . . . . 53 LEU HB3 . 11104 1 584 . 1 1 53 53 LEU HD11 H 1 0.701 0.030 . 1 . . . . 53 LEU HD1 . 11104 1 585 . 1 1 53 53 LEU HD12 H 1 0.701 0.030 . 1 . . . . 53 LEU HD1 . 11104 1 586 . 1 1 53 53 LEU HD13 H 1 0.701 0.030 . 1 . . . . 53 LEU HD1 . 11104 1 587 . 1 1 53 53 LEU HD21 H 1 1.035 0.030 . 1 . . . . 53 LEU HD2 . 11104 1 588 . 1 1 53 53 LEU HD22 H 1 1.035 0.030 . 1 . . . . 53 LEU HD2 . 11104 1 589 . 1 1 53 53 LEU HD23 H 1 1.035 0.030 . 1 . . . . 53 LEU HD2 . 11104 1 590 . 1 1 53 53 LEU HG H 1 1.780 0.030 . 1 . . . . 53 LEU HG . 11104 1 591 . 1 1 53 53 LEU C C 13 178.535 0.300 . 1 . . . . 53 LEU C . 11104 1 592 . 1 1 53 53 LEU CA C 13 57.402 0.300 . 1 . . . . 53 LEU CA . 11104 1 593 . 1 1 53 53 LEU CB C 13 41.319 0.300 . 1 . . . . 53 LEU CB . 11104 1 594 . 1 1 53 53 LEU CD1 C 13 27.195 0.300 . 2 . . . . 53 LEU CD1 . 11104 1 595 . 1 1 53 53 LEU CD2 C 13 23.487 0.300 . 2 . . . . 53 LEU CD2 . 11104 1 596 . 1 1 53 53 LEU CG C 13 27.667 0.300 . 1 . . . . 53 LEU CG . 11104 1 597 . 1 1 53 53 LEU N N 15 119.563 0.300 . 1 . . . . 53 LEU N . 11104 1 598 . 1 1 54 54 SER H H 1 7.944 0.030 . 1 . . . . 54 SER H . 11104 1 599 . 1 1 54 54 SER HA H 1 4.299 0.030 . 1 . . . . 54 SER HA . 11104 1 600 . 1 1 54 54 SER HB2 H 1 4.043 0.030 . 1 . . . . 54 SER HB2 . 11104 1 601 . 1 1 54 54 SER HB3 H 1 4.043 0.030 . 1 . . . . 54 SER HB3 . 11104 1 602 . 1 1 54 54 SER C C 13 174.426 0.300 . 1 . . . . 54 SER C . 11104 1 603 . 1 1 54 54 SER CA C 13 60.485 0.300 . 1 . . . . 54 SER CA . 11104 1 604 . 1 1 54 54 SER CB C 13 63.212 0.300 . 1 . . . . 54 SER CB . 11104 1 605 . 1 1 54 54 SER N N 15 115.054 0.300 . 1 . . . . 54 SER N . 11104 1 606 . 1 1 55 55 LYS H H 1 7.151 0.030 . 1 . . . . 55 LYS H . 11104 1 607 . 1 1 55 55 LYS HA H 1 4.375 0.030 . 1 . . . . 55 LYS HA . 11104 1 608 . 1 1 55 55 LYS HB2 H 1 2.022 0.030 . 2 . . . . 55 LYS HB2 . 11104 1 609 . 1 1 55 55 LYS HB3 H 1 1.801 0.030 . 2 . . . . 55 LYS HB3 . 11104 1 610 . 1 1 55 55 LYS HD2 H 1 1.672 0.030 . 2 . . . . 55 LYS HD2 . 11104 1 611 . 1 1 55 55 LYS HD3 H 1 1.658 0.030 . 2 . . . . 55 LYS HD3 . 11104 1 612 . 1 1 55 55 LYS HE2 H 1 2.914 0.030 . 2 . . . . 55 LYS HE2 . 11104 1 613 . 1 1 55 55 LYS HG2 H 1 1.614 0.030 . 2 . . . . 55 LYS HG2 . 11104 1 614 . 1 1 55 55 LYS HG3 H 1 1.456 0.030 . 2 . . . . 55 LYS HG3 . 11104 1 615 . 1 1 55 55 LYS C C 13 177.038 0.300 . 1 . . . . 55 LYS C . 11104 1 616 . 1 1 55 55 LYS CA C 13 56.070 0.300 . 1 . . . . 55 LYS CA . 11104 1 617 . 1 1 55 55 LYS CB C 13 32.861 0.300 . 1 . . . . 55 LYS CB . 11104 1 618 . 1 1 55 55 LYS CD C 13 29.302 0.300 . 1 . . . . 55 LYS CD . 11104 1 619 . 1 1 55 55 LYS CE C 13 42.141 0.300 . 1 . . . . 55 LYS CE . 11104 1 620 . 1 1 55 55 LYS CG C 13 24.758 0.300 . 1 . . . . 55 LYS CG . 11104 1 621 . 1 1 55 55 LYS N N 15 119.349 0.300 . 1 . . . . 55 LYS N . 11104 1 622 . 1 1 56 56 ARG H H 1 6.719 0.030 . 1 . . . . 56 ARG H . 11104 1 623 . 1 1 56 56 ARG HA H 1 4.160 0.030 . 1 . . . . 56 ARG HA . 11104 1 624 . 1 1 56 56 ARG HB2 H 1 1.870 0.030 . 2 . . . . 56 ARG HB2 . 11104 1 625 . 1 1 56 56 ARG HB3 H 1 1.776 0.030 . 2 . . . . 56 ARG HB3 . 11104 1 626 . 1 1 56 56 ARG HD2 H 1 3.269 0.030 . 2 . . . . 56 ARG HD2 . 11104 1 627 . 1 1 56 56 ARG HD3 H 1 2.958 0.030 . 2 . . . . 56 ARG HD3 . 11104 1 628 . 1 1 56 56 ARG HE H 1 7.638 0.030 . 1 . . . . 56 ARG HE . 11104 1 629 . 1 1 56 56 ARG HG2 H 1 1.718 0.030 . 2 . . . . 56 ARG HG2 . 11104 1 630 . 1 1 56 56 ARG HG3 H 1 1.632 0.030 . 2 . . . . 56 ARG HG3 . 11104 1 631 . 1 1 56 56 ARG C C 13 174.194 0.300 . 1 . . . . 56 ARG C . 11104 1 632 . 1 1 56 56 ARG CA C 13 55.355 0.300 . 1 . . . . 56 ARG CA . 11104 1 633 . 1 1 56 56 ARG CB C 13 31.524 0.300 . 1 . . . . 56 ARG CB . 11104 1 634 . 1 1 56 56 ARG CD C 13 42.977 0.300 . 1 . . . . 56 ARG CD . 11104 1 635 . 1 1 56 56 ARG CG C 13 27.880 0.300 . 1 . . . . 56 ARG CG . 11104 1 636 . 1 1 56 56 ARG N N 15 118.185 0.300 . 1 . . . . 56 ARG N . 11104 1 637 . 1 1 56 56 ARG NE N 15 82.742 0.300 . 1 . . . . 56 ARG NE . 11104 1 638 . 1 1 57 57 SER H H 1 8.229 0.030 . 1 . . . . 57 SER H . 11104 1 639 . 1 1 57 57 SER HA H 1 4.834 0.030 . 1 . . . . 57 SER HA . 11104 1 640 . 1 1 57 57 SER HB2 H 1 3.781 0.030 . 2 . . . . 57 SER HB2 . 11104 1 641 . 1 1 57 57 SER HB3 H 1 3.627 0.030 . 2 . . . . 57 SER HB3 . 11104 1 642 . 1 1 57 57 SER C C 13 172.712 0.300 . 1 . . . . 57 SER C . 11104 1 643 . 1 1 57 57 SER CA C 13 53.873 0.300 . 1 . . . . 57 SER CA . 11104 1 644 . 1 1 57 57 SER CB C 13 64.187 0.300 . 1 . . . . 57 SER CB . 11104 1 645 . 1 1 57 57 SER N N 15 114.017 0.300 . 1 . . . . 57 SER N . 11104 1 646 . 1 1 58 58 PRO HA H 1 5.152 0.030 . 1 . . . . 58 PRO HA . 11104 1 647 . 1 1 58 58 PRO HB2 H 1 2.425 0.030 . 2 . . . . 58 PRO HB2 . 11104 1 648 . 1 1 58 58 PRO HB3 H 1 2.062 0.030 . 2 . . . . 58 PRO HB3 . 11104 1 649 . 1 1 58 58 PRO HD2 H 1 3.619 0.030 . 2 . . . . 58 PRO HD2 . 11104 1 650 . 1 1 58 58 PRO HD3 H 1 3.490 0.030 . 2 . . . . 58 PRO HD3 . 11104 1 651 . 1 1 58 58 PRO HG2 H 1 1.996 0.030 . 2 . . . . 58 PRO HG2 . 11104 1 652 . 1 1 58 58 PRO HG3 H 1 1.869 0.030 . 2 . . . . 58 PRO HG3 . 11104 1 653 . 1 1 58 58 PRO CA C 13 62.086 0.300 . 1 . . . . 58 PRO CA . 11104 1 654 . 1 1 58 58 PRO CB C 13 33.083 0.300 . 1 . . . . 58 PRO CB . 11104 1 655 . 1 1 58 58 PRO CD C 13 50.078 0.300 . 1 . . . . 58 PRO CD . 11104 1 656 . 1 1 58 58 PRO CG C 13 24.801 0.300 . 1 . . . . 58 PRO CG . 11104 1 657 . 1 1 59 59 PRO HA H 1 4.361 0.030 . 1 . . . . 59 PRO HA . 11104 1 658 . 1 1 59 59 PRO HB2 H 1 2.356 0.030 . 2 . . . . 59 PRO HB2 . 11104 1 659 . 1 1 59 59 PRO HB3 H 1 1.822 0.030 . 2 . . . . 59 PRO HB3 . 11104 1 660 . 1 1 59 59 PRO HD2 H 1 3.814 0.030 . 2 . . . . 59 PRO HD2 . 11104 1 661 . 1 1 59 59 PRO HD3 H 1 3.687 0.030 . 2 . . . . 59 PRO HD3 . 11104 1 662 . 1 1 59 59 PRO HG2 H 1 2.161 0.030 . 2 . . . . 59 PRO HG2 . 11104 1 663 . 1 1 59 59 PRO HG3 H 1 2.041 0.030 . 2 . . . . 59 PRO HG3 . 11104 1 664 . 1 1 59 59 PRO C C 13 177.326 0.300 . 1 . . . . 59 PRO C . 11104 1 665 . 1 1 59 59 PRO CA C 13 62.900 0.300 . 1 . . . . 59 PRO CA . 11104 1 666 . 1 1 59 59 PRO CB C 13 32.390 0.300 . 1 . . . . 59 PRO CB . 11104 1 667 . 1 1 59 59 PRO CD C 13 50.051 0.300 . 1 . . . . 59 PRO CD . 11104 1 668 . 1 1 59 59 PRO CG C 13 27.330 0.300 . 1 . . . . 59 PRO CG . 11104 1 669 . 1 1 60 60 ILE H H 1 7.056 0.030 . 1 . . . . 60 ILE H . 11104 1 670 . 1 1 60 60 ILE HA H 1 4.601 0.030 . 1 . . . . 60 ILE HA . 11104 1 671 . 1 1 60 60 ILE HB H 1 1.673 0.030 . 1 . . . . 60 ILE HB . 11104 1 672 . 1 1 60 60 ILE HD11 H 1 0.782 0.030 . 1 . . . . 60 ILE HD1 . 11104 1 673 . 1 1 60 60 ILE HD12 H 1 0.782 0.030 . 1 . . . . 60 ILE HD1 . 11104 1 674 . 1 1 60 60 ILE HD13 H 1 0.782 0.030 . 1 . . . . 60 ILE HD1 . 11104 1 675 . 1 1 60 60 ILE HG12 H 1 1.649 0.030 . 2 . . . . 60 ILE HG12 . 11104 1 676 . 1 1 60 60 ILE HG13 H 1 0.923 0.030 . 2 . . . . 60 ILE HG13 . 11104 1 677 . 1 1 60 60 ILE HG21 H 1 0.702 0.030 . 1 . . . . 60 ILE HG2 . 11104 1 678 . 1 1 60 60 ILE HG22 H 1 0.702 0.030 . 1 . . . . 60 ILE HG2 . 11104 1 679 . 1 1 60 60 ILE HG23 H 1 0.702 0.030 . 1 . . . . 60 ILE HG2 . 11104 1 680 . 1 1 60 60 ILE C C 13 173.056 0.300 . 1 . . . . 60 ILE C . 11104 1 681 . 1 1 60 60 ILE CA C 13 58.035 0.300 . 1 . . . . 60 ILE CA . 11104 1 682 . 1 1 60 60 ILE CB C 13 40.172 0.300 . 1 . . . . 60 ILE CB . 11104 1 683 . 1 1 60 60 ILE CD1 C 13 13.867 0.300 . 1 . . . . 60 ILE CD1 . 11104 1 684 . 1 1 60 60 ILE CG1 C 13 27.526 0.300 . 1 . . . . 60 ILE CG1 . 11104 1 685 . 1 1 60 60 ILE CG2 C 13 16.595 0.300 . 1 . . . . 60 ILE CG2 . 11104 1 686 . 1 1 60 60 ILE N N 15 121.295 0.300 . 1 . . . . 60 ILE N . 11104 1 687 . 1 1 61 61 PRO HA H 1 4.329 0.030 . 1 . . . . 61 PRO HA . 11104 1 688 . 1 1 61 61 PRO HB2 H 1 2.185 0.030 . 2 . . . . 61 PRO HB2 . 11104 1 689 . 1 1 61 61 PRO HB3 H 1 1.580 0.030 . 2 . . . . 61 PRO HB3 . 11104 1 690 . 1 1 61 61 PRO HD2 H 1 3.714 0.030 . 2 . . . . 61 PRO HD2 . 11104 1 691 . 1 1 61 61 PRO HD3 H 1 4.176 0.030 . 2 . . . . 61 PRO HD3 . 11104 1 692 . 1 1 61 61 PRO HG2 H 1 2.100 0.030 . 2 . . . . 61 PRO HG2 . 11104 1 693 . 1 1 61 61 PRO HG3 H 1 2.016 0.030 . 2 . . . . 61 PRO HG3 . 11104 1 694 . 1 1 61 61 PRO C C 13 173.510 0.300 . 1 . . . . 61 PRO C . 11104 1 695 . 1 1 61 61 PRO CA C 13 62.339 0.300 . 1 . . . . 61 PRO CA . 11104 1 696 . 1 1 61 61 PRO CB C 13 32.442 0.300 . 1 . . . . 61 PRO CB . 11104 1 697 . 1 1 61 61 PRO CD C 13 51.606 0.300 . 1 . . . . 61 PRO CD . 11104 1 698 . 1 1 61 61 PRO CG C 13 26.159 0.300 . 1 . . . . 61 PRO CG . 11104 1 699 . 1 1 62 62 LEU H H 1 7.987 0.030 . 1 . . . . 62 LEU H . 11104 1 700 . 1 1 62 62 LEU HA H 1 4.819 0.030 . 1 . . . . 62 LEU HA . 11104 1 701 . 1 1 62 62 LEU HB2 H 1 1.421 0.030 . 2 . . . . 62 LEU HB2 . 11104 1 702 . 1 1 62 62 LEU HB3 H 1 1.065 0.030 . 2 . . . . 62 LEU HB3 . 11104 1 703 . 1 1 62 62 LEU HD11 H 1 0.612 0.030 . 1 . . . . 62 LEU HD1 . 11104 1 704 . 1 1 62 62 LEU HD12 H 1 0.612 0.030 . 1 . . . . 62 LEU HD1 . 11104 1 705 . 1 1 62 62 LEU HD13 H 1 0.612 0.030 . 1 . . . . 62 LEU HD1 . 11104 1 706 . 1 1 62 62 LEU HD21 H 1 -0.178 0.030 . 1 . . . . 62 LEU HD2 . 11104 1 707 . 1 1 62 62 LEU HD22 H 1 -0.178 0.030 . 1 . . . . 62 LEU HD2 . 11104 1 708 . 1 1 62 62 LEU HD23 H 1 -0.178 0.030 . 1 . . . . 62 LEU HD2 . 11104 1 709 . 1 1 62 62 LEU HG H 1 1.532 0.030 . 1 . . . . 62 LEU HG . 11104 1 710 . 1 1 62 62 LEU C C 13 176.269 0.300 . 1 . . . . 62 LEU C . 11104 1 711 . 1 1 62 62 LEU CA C 13 54.404 0.300 . 1 . . . . 62 LEU CA . 11104 1 712 . 1 1 62 62 LEU CB C 13 45.196 0.300 . 1 . . . . 62 LEU CB . 11104 1 713 . 1 1 62 62 LEU CD1 C 13 24.301 0.300 . 2 . . . . 62 LEU CD1 . 11104 1 714 . 1 1 62 62 LEU CD2 C 13 25.091 0.300 . 2 . . . . 62 LEU CD2 . 11104 1 715 . 1 1 62 62 LEU CG C 13 30.503 0.300 . 1 . . . . 62 LEU CG . 11104 1 716 . 1 1 62 62 LEU N N 15 122.968 0.300 . 1 . . . . 62 LEU N . 11104 1 717 . 1 1 63 63 ALA H H 1 9.469 0.030 . 1 . . . . 63 ALA H . 11104 1 718 . 1 1 63 63 ALA HA H 1 5.628 0.030 . 1 . . . . 63 ALA HA . 11104 1 719 . 1 1 63 63 ALA HB1 H 1 1.291 0.030 . 1 . . . . 63 ALA HB . 11104 1 720 . 1 1 63 63 ALA HB2 H 1 1.291 0.030 . 1 . . . . 63 ALA HB . 11104 1 721 . 1 1 63 63 ALA HB3 H 1 1.291 0.030 . 1 . . . . 63 ALA HB . 11104 1 722 . 1 1 63 63 ALA C C 13 176.977 0.300 . 1 . . . . 63 ALA C . 11104 1 723 . 1 1 63 63 ALA CA C 13 49.397 0.300 . 1 . . . . 63 ALA CA . 11104 1 724 . 1 1 63 63 ALA CB C 13 25.348 0.300 . 1 . . . . 63 ALA CB . 11104 1 725 . 1 1 63 63 ALA N N 15 120.944 0.300 . 1 . . . . 63 ALA N . 11104 1 726 . 1 1 64 64 LYS H H 1 9.472 0.030 . 1 . . . . 64 LYS H . 11104 1 727 . 1 1 64 64 LYS HA H 1 5.556 0.030 . 1 . . . . 64 LYS HA . 11104 1 728 . 1 1 64 64 LYS HB2 H 1 1.898 0.030 . 2 . . . . 64 LYS HB2 . 11104 1 729 . 1 1 64 64 LYS HB3 H 1 1.668 0.030 . 2 . . . . 64 LYS HB3 . 11104 1 730 . 1 1 64 64 LYS HD2 H 1 1.323 0.030 . 2 . . . . 64 LYS HD2 . 11104 1 731 . 1 1 64 64 LYS HD3 H 1 1.270 0.030 . 2 . . . . 64 LYS HD3 . 11104 1 732 . 1 1 64 64 LYS HE2 H 1 2.686 0.030 . 1 . . . . 64 LYS HE2 . 11104 1 733 . 1 1 64 64 LYS HE3 H 1 2.686 0.030 . 1 . . . . 64 LYS HE3 . 11104 1 734 . 1 1 64 64 LYS HG2 H 1 1.443 0.030 . 2 . . . . 64 LYS HG2 . 11104 1 735 . 1 1 64 64 LYS HG3 H 1 1.546 0.030 . 2 . . . . 64 LYS HG3 . 11104 1 736 . 1 1 64 64 LYS C C 13 173.038 0.300 . 1 . . . . 64 LYS C . 11104 1 737 . 1 1 64 64 LYS CA C 13 54.861 0.300 . 1 . . . . 64 LYS CA . 11104 1 738 . 1 1 64 64 LYS CB C 13 36.293 0.300 . 1 . . . . 64 LYS CB . 11104 1 739 . 1 1 64 64 LYS CD C 13 29.687 0.300 . 1 . . . . 64 LYS CD . 11104 1 740 . 1 1 64 64 LYS CE C 13 42.141 0.300 . 1 . . . . 64 LYS CE . 11104 1 741 . 1 1 64 64 LYS CG C 13 23.627 0.300 . 1 . . . . 64 LYS CG . 11104 1 742 . 1 1 64 64 LYS N N 15 121.732 0.300 . 1 . . . . 64 LYS N . 11104 1 743 . 1 1 65 65 VAL H H 1 9.025 0.030 . 1 . . . . 65 VAL H . 11104 1 744 . 1 1 65 65 VAL HA H 1 4.292 0.030 . 1 . . . . 65 VAL HA . 11104 1 745 . 1 1 65 65 VAL HB H 1 1.325 0.030 . 1 . . . . 65 VAL HB . 11104 1 746 . 1 1 65 65 VAL HG11 H 1 0.701 0.030 . 1 . . . . 65 VAL HG1 . 11104 1 747 . 1 1 65 65 VAL HG12 H 1 0.701 0.030 . 1 . . . . 65 VAL HG1 . 11104 1 748 . 1 1 65 65 VAL HG13 H 1 0.701 0.030 . 1 . . . . 65 VAL HG1 . 11104 1 749 . 1 1 65 65 VAL HG21 H 1 0.526 0.030 . 1 . . . . 65 VAL HG2 . 11104 1 750 . 1 1 65 65 VAL HG22 H 1 0.526 0.030 . 1 . . . . 65 VAL HG2 . 11104 1 751 . 1 1 65 65 VAL HG23 H 1 0.526 0.030 . 1 . . . . 65 VAL HG2 . 11104 1 752 . 1 1 65 65 VAL C C 13 173.794 0.300 . 1 . . . . 65 VAL C . 11104 1 753 . 1 1 65 65 VAL CA C 13 60.424 0.300 . 1 . . . . 65 VAL CA . 11104 1 754 . 1 1 65 65 VAL CB C 13 36.445 0.300 . 1 . . . . 65 VAL CB . 11104 1 755 . 1 1 65 65 VAL CG1 C 13 21.427 0.300 . 2 . . . . 65 VAL CG1 . 11104 1 756 . 1 1 65 65 VAL CG2 C 13 21.332 0.300 . 2 . . . . 65 VAL CG2 . 11104 1 757 . 1 1 65 65 VAL N N 15 119.998 0.300 . 1 . . . . 65 VAL N . 11104 1 758 . 1 1 66 66 ASP H H 1 8.785 0.030 . 1 . . . . 66 ASP H . 11104 1 759 . 1 1 66 66 ASP HA H 1 3.185 0.030 . 1 . . . . 66 ASP HA . 11104 1 760 . 1 1 66 66 ASP HB2 H 1 2.806 0.030 . 2 . . . . 66 ASP HB2 . 11104 1 761 . 1 1 66 66 ASP HB3 H 1 2.319 0.030 . 2 . . . . 66 ASP HB3 . 11104 1 762 . 1 1 66 66 ASP C C 13 175.728 0.300 . 1 . . . . 66 ASP C . 11104 1 763 . 1 1 66 66 ASP CA C 13 52.265 0.300 . 1 . . . . 66 ASP CA . 11104 1 764 . 1 1 66 66 ASP CB C 13 38.378 0.300 . 1 . . . . 66 ASP CB . 11104 1 765 . 1 1 66 66 ASP N N 15 127.049 0.300 . 1 . . . . 66 ASP N . 11104 1 766 . 1 1 67 67 ALA H H 1 8.859 0.030 . 1 . . . . 67 ALA H . 11104 1 767 . 1 1 67 67 ALA HA H 1 3.899 0.030 . 1 . . . . 67 ALA HA . 11104 1 768 . 1 1 67 67 ALA HB1 H 1 1.484 0.030 . 1 . . . . 67 ALA HB . 11104 1 769 . 1 1 67 67 ALA HB2 H 1 1.484 0.030 . 1 . . . . 67 ALA HB . 11104 1 770 . 1 1 67 67 ALA HB3 H 1 1.484 0.030 . 1 . . . . 67 ALA HB . 11104 1 771 . 1 1 67 67 ALA C C 13 176.542 0.300 . 1 . . . . 67 ALA C . 11104 1 772 . 1 1 67 67 ALA CA C 13 53.369 0.300 . 1 . . . . 67 ALA CA . 11104 1 773 . 1 1 67 67 ALA CB C 13 20.495 0.300 . 1 . . . . 67 ALA CB . 11104 1 774 . 1 1 67 67 ALA N N 15 130.886 0.300 . 1 . . . . 67 ALA N . 11104 1 775 . 1 1 68 68 THR H H 1 8.494 0.030 . 1 . . . . 68 THR H . 11104 1 776 . 1 1 68 68 THR HA H 1 4.229 0.030 . 1 . . . . 68 THR HA . 11104 1 777 . 1 1 68 68 THR HB H 1 4.330 0.030 . 1 . . . . 68 THR HB . 11104 1 778 . 1 1 68 68 THR HG21 H 1 1.116 0.030 . 1 . . . . 68 THR HG2 . 11104 1 779 . 1 1 68 68 THR HG22 H 1 1.116 0.030 . 1 . . . . 68 THR HG2 . 11104 1 780 . 1 1 68 68 THR HG23 H 1 1.116 0.030 . 1 . . . . 68 THR HG2 . 11104 1 781 . 1 1 68 68 THR C C 13 174.925 0.300 . 1 . . . . 68 THR C . 11104 1 782 . 1 1 68 68 THR CA C 13 63.036 0.300 . 1 . . . . 68 THR CA . 11104 1 783 . 1 1 68 68 THR CB C 13 68.518 0.300 . 1 . . . . 68 THR CB . 11104 1 784 . 1 1 68 68 THR CG2 C 13 23.217 0.300 . 1 . . . . 68 THR CG2 . 11104 1 785 . 1 1 68 68 THR N N 15 108.517 0.300 . 1 . . . . 68 THR N . 11104 1 786 . 1 1 69 69 GLU H H 1 6.805 0.030 . 1 . . . . 69 GLU H . 11104 1 787 . 1 1 69 69 GLU HA H 1 4.461 0.030 . 1 . . . . 69 GLU HA . 11104 1 788 . 1 1 69 69 GLU HB2 H 1 2.029 0.030 . 2 . . . . 69 GLU HB2 . 11104 1 789 . 1 1 69 69 GLU HB3 H 1 1.912 0.030 . 2 . . . . 69 GLU HB3 . 11104 1 790 . 1 1 69 69 GLU HG2 H 1 2.326 0.030 . 2 . . . . 69 GLU HG2 . 11104 1 791 . 1 1 69 69 GLU HG3 H 1 2.163 0.030 . 2 . . . . 69 GLU HG3 . 11104 1 792 . 1 1 69 69 GLU C C 13 177.798 0.300 . 1 . . . . 69 GLU C . 11104 1 793 . 1 1 69 69 GLU CA C 13 56.902 0.300 . 1 . . . . 69 GLU CA . 11104 1 794 . 1 1 69 69 GLU CB C 13 32.553 0.300 . 1 . . . . 69 GLU CB . 11104 1 795 . 1 1 69 69 GLU CG C 13 36.513 0.300 . 1 . . . . 69 GLU CG . 11104 1 796 . 1 1 69 69 GLU N N 15 121.732 0.300 . 1 . . . . 69 GLU N . 11104 1 797 . 1 1 70 70 GLN H H 1 8.639 0.030 . 1 . . . . 70 GLN H . 11104 1 798 . 1 1 70 70 GLN HA H 1 4.550 0.030 . 1 . . . . 70 GLN HA . 11104 1 799 . 1 1 70 70 GLN HB2 H 1 2.214 0.030 . 2 . . . . 70 GLN HB2 . 11104 1 800 . 1 1 70 70 GLN HB3 H 1 1.954 0.030 . 2 . . . . 70 GLN HB3 . 11104 1 801 . 1 1 70 70 GLN HE21 H 1 8.639 0.030 . 2 . . . . 70 GLN HE21 . 11104 1 802 . 1 1 70 70 GLN HE22 H 1 7.644 0.030 . 2 . . . . 70 GLN HE22 . 11104 1 803 . 1 1 70 70 GLN HG2 H 1 2.682 0.030 . 2 . . . . 70 GLN HG2 . 11104 1 804 . 1 1 70 70 GLN HG3 H 1 2.494 0.030 . 2 . . . . 70 GLN HG3 . 11104 1 805 . 1 1 70 70 GLN C C 13 176.512 0.300 . 1 . . . . 70 GLN C . 11104 1 806 . 1 1 70 70 GLN CA C 13 52.292 0.300 . 1 . . . . 70 GLN CA . 11104 1 807 . 1 1 70 70 GLN CB C 13 25.398 0.300 . 1 . . . . 70 GLN CB . 11104 1 808 . 1 1 70 70 GLN CG C 13 33.039 0.300 . 1 . . . . 70 GLN CG . 11104 1 809 . 1 1 70 70 GLN N N 15 120.003 0.300 . 1 . . . . 70 GLN N . 11104 1 810 . 1 1 70 70 GLN NE2 N 15 119.937 0.300 . 1 . . . . 70 GLN NE2 . 11104 1 811 . 1 1 71 71 THR H H 1 7.515 0.030 . 1 . . . . 71 THR H . 11104 1 812 . 1 1 71 71 THR HA H 1 3.932 0.030 . 1 . . . . 71 THR HA . 11104 1 813 . 1 1 71 71 THR HB H 1 4.198 0.030 . 1 . . . . 71 THR HB . 11104 1 814 . 1 1 71 71 THR HG21 H 1 1.223 0.030 . 1 . . . . 71 THR HG2 . 11104 1 815 . 1 1 71 71 THR HG22 H 1 1.223 0.030 . 1 . . . . 71 THR HG2 . 11104 1 816 . 1 1 71 71 THR HG23 H 1 1.223 0.030 . 1 . . . . 71 THR HG2 . 11104 1 817 . 1 1 71 71 THR C C 13 177.728 0.300 . 1 . . . . 71 THR C . 11104 1 818 . 1 1 71 71 THR CA C 13 65.144 0.300 . 1 . . . . 71 THR CA . 11104 1 819 . 1 1 71 71 THR CB C 13 68.112 0.300 . 1 . . . . 71 THR CB . 11104 1 820 . 1 1 71 71 THR CG2 C 13 22.417 0.300 . 1 . . . . 71 THR CG2 . 11104 1 821 . 1 1 71 71 THR N N 15 112.856 0.300 . 1 . . . . 71 THR N . 11104 1 822 . 1 1 72 72 ASP H H 1 8.266 0.030 . 1 . . . . 72 ASP H . 11104 1 823 . 1 1 72 72 ASP HA H 1 4.421 0.030 . 1 . . . . 72 ASP HA . 11104 1 824 . 1 1 72 72 ASP HB2 H 1 2.599 0.030 . 1 . . . . 72 ASP HB2 . 11104 1 825 . 1 1 72 72 ASP HB3 H 1 2.599 0.030 . 1 . . . . 72 ASP HB3 . 11104 1 826 . 1 1 72 72 ASP C C 13 179.243 0.300 . 1 . . . . 72 ASP C . 11104 1 827 . 1 1 72 72 ASP CA C 13 57.604 0.300 . 1 . . . . 72 ASP CA . 11104 1 828 . 1 1 72 72 ASP CB C 13 40.195 0.300 . 1 . . . . 72 ASP CB . 11104 1 829 . 1 1 72 72 ASP N N 15 121.353 0.300 . 1 . . . . 72 ASP N . 11104 1 830 . 1 1 73 73 LEU H H 1 7.668 0.030 . 1 . . . . 73 LEU H . 11104 1 831 . 1 1 73 73 LEU HA H 1 3.931 0.030 . 1 . . . . 73 LEU HA . 11104 1 832 . 1 1 73 73 LEU HB2 H 1 1.913 0.030 . 2 . . . . 73 LEU HB2 . 11104 1 833 . 1 1 73 73 LEU HB3 H 1 1.199 0.030 . 2 . . . . 73 LEU HB3 . 11104 1 834 . 1 1 73 73 LEU HD11 H 1 0.554 0.030 . 1 . . . . 73 LEU HD1 . 11104 1 835 . 1 1 73 73 LEU HD12 H 1 0.554 0.030 . 1 . . . . 73 LEU HD1 . 11104 1 836 . 1 1 73 73 LEU HD13 H 1 0.554 0.030 . 1 . . . . 73 LEU HD1 . 11104 1 837 . 1 1 73 73 LEU HD21 H 1 0.360 0.030 . 1 . . . . 73 LEU HD2 . 11104 1 838 . 1 1 73 73 LEU HD22 H 1 0.360 0.030 . 1 . . . . 73 LEU HD2 . 11104 1 839 . 1 1 73 73 LEU HD23 H 1 0.360 0.030 . 1 . . . . 73 LEU HD2 . 11104 1 840 . 1 1 73 73 LEU HG H 1 1.633 0.030 . 1 . . . . 73 LEU HG . 11104 1 841 . 1 1 73 73 LEU C C 13 177.755 0.300 . 1 . . . . 73 LEU C . 11104 1 842 . 1 1 73 73 LEU CA C 13 57.605 0.300 . 1 . . . . 73 LEU CA . 11104 1 843 . 1 1 73 73 LEU CB C 13 42.625 0.300 . 1 . . . . 73 LEU CB . 11104 1 844 . 1 1 73 73 LEU CD1 C 13 24.638 0.300 . 2 . . . . 73 LEU CD1 . 11104 1 845 . 1 1 73 73 LEU CD2 C 13 22.813 0.300 . 2 . . . . 73 LEU CD2 . 11104 1 846 . 1 1 73 73 LEU CG C 13 26.778 0.300 . 1 . . . . 73 LEU CG . 11104 1 847 . 1 1 73 73 LEU N N 15 120.534 0.300 . 1 . . . . 73 LEU N . 11104 1 848 . 1 1 74 74 ALA H H 1 7.892 0.030 . 1 . . . . 74 ALA H . 11104 1 849 . 1 1 74 74 ALA HA H 1 3.772 0.030 . 1 . . . . 74 ALA HA . 11104 1 850 . 1 1 74 74 ALA HB1 H 1 1.578 0.030 . 1 . . . . 74 ALA HB . 11104 1 851 . 1 1 74 74 ALA HB2 H 1 1.578 0.030 . 1 . . . . 74 ALA HB . 11104 1 852 . 1 1 74 74 ALA HB3 H 1 1.578 0.030 . 1 . . . . 74 ALA HB . 11104 1 853 . 1 1 74 74 ALA C C 13 179.408 0.300 . 1 . . . . 74 ALA C . 11104 1 854 . 1 1 74 74 ALA CA C 13 55.241 0.300 . 1 . . . . 74 ALA CA . 11104 1 855 . 1 1 74 74 ALA CB C 13 18.385 0.300 . 1 . . . . 74 ALA CB . 11104 1 856 . 1 1 74 74 ALA N N 15 119.284 0.300 . 1 . . . . 74 ALA N . 11104 1 857 . 1 1 75 75 LYS H H 1 7.980 0.030 . 1 . . . . 75 LYS H . 11104 1 858 . 1 1 75 75 LYS HA H 1 4.103 0.030 . 1 . . . . 75 LYS HA . 11104 1 859 . 1 1 75 75 LYS HB2 H 1 1.867 0.030 . 1 . . . . 75 LYS HB2 . 11104 1 860 . 1 1 75 75 LYS HB3 H 1 1.867 0.030 . 1 . . . . 75 LYS HB3 . 11104 1 861 . 1 1 75 75 LYS HD2 H 1 1.664 0.030 . 1 . . . . 75 LYS HD2 . 11104 1 862 . 1 1 75 75 LYS HD3 H 1 1.664 0.030 . 1 . . . . 75 LYS HD3 . 11104 1 863 . 1 1 75 75 LYS HE2 H 1 2.934 0.030 . 2 . . . . 75 LYS HE2 . 11104 1 864 . 1 1 75 75 LYS HG2 H 1 1.536 0.030 . 2 . . . . 75 LYS HG2 . 11104 1 865 . 1 1 75 75 LYS HG3 H 1 1.424 0.030 . 2 . . . . 75 LYS HG3 . 11104 1 866 . 1 1 75 75 LYS C C 13 180.066 0.300 . 1 . . . . 75 LYS C . 11104 1 867 . 1 1 75 75 LYS CA C 13 58.748 0.300 . 1 . . . . 75 LYS CA . 11104 1 868 . 1 1 75 75 LYS CB C 13 32.360 0.300 . 1 . . . . 75 LYS CB . 11104 1 869 . 1 1 75 75 LYS CD C 13 29.155 0.300 . 1 . . . . 75 LYS CD . 11104 1 870 . 1 1 75 75 LYS CE C 13 42.072 0.300 . 1 . . . . 75 LYS CE . 11104 1 871 . 1 1 75 75 LYS CG C 13 25.040 0.300 . 1 . . . . 75 LYS CG . 11104 1 872 . 1 1 75 75 LYS N N 15 117.143 0.300 . 1 . . . . 75 LYS N . 11104 1 873 . 1 1 76 76 ARG H H 1 7.779 0.030 . 1 . . . . 76 ARG H . 11104 1 874 . 1 1 76 76 ARG HA H 1 3.695 0.030 . 1 . . . . 76 ARG HA . 11104 1 875 . 1 1 76 76 ARG HB2 H 1 1.604 0.030 . 2 . . . . 76 ARG HB2 . 11104 1 876 . 1 1 76 76 ARG HB3 H 1 1.380 0.030 . 2 . . . . 76 ARG HB3 . 11104 1 877 . 1 1 76 76 ARG HD2 H 1 2.934 0.030 . 2 . . . . 76 ARG HD2 . 11104 1 878 . 1 1 76 76 ARG HD3 H 1 2.600 0.030 . 2 . . . . 76 ARG HD3 . 11104 1 879 . 1 1 76 76 ARG HE H 1 6.981 0.030 . 1 . . . . 76 ARG HE . 11104 1 880 . 1 1 76 76 ARG HG2 H 1 0.449 0.030 . 2 . . . . 76 ARG HG2 . 11104 1 881 . 1 1 76 76 ARG HG3 H 1 1.411 0.030 . 2 . . . . 76 ARG HG3 . 11104 1 882 . 1 1 76 76 ARG C C 13 177.019 0.300 . 1 . . . . 76 ARG C . 11104 1 883 . 1 1 76 76 ARG CA C 13 58.762 0.300 . 1 . . . . 76 ARG CA . 11104 1 884 . 1 1 76 76 ARG CB C 13 30.561 0.300 . 1 . . . . 76 ARG CB . 11104 1 885 . 1 1 76 76 ARG CD C 13 44.369 0.300 . 1 . . . . 76 ARG CD . 11104 1 886 . 1 1 76 76 ARG CG C 13 25.583 0.300 . 1 . . . . 76 ARG CG . 11104 1 887 . 1 1 76 76 ARG N N 15 120.926 0.300 . 1 . . . . 76 ARG N . 11104 1 888 . 1 1 76 76 ARG NE N 15 83.656 0.300 . 1 . . . . 76 ARG NE . 11104 1 889 . 1 1 77 77 PHE H H 1 6.852 0.030 . 1 . . . . 77 PHE H . 11104 1 890 . 1 1 77 77 PHE HA H 1 4.618 0.030 . 1 . . . . 77 PHE HA . 11104 1 891 . 1 1 77 77 PHE HB2 H 1 3.201 0.030 . 2 . . . . 77 PHE HB2 . 11104 1 892 . 1 1 77 77 PHE HB3 H 1 1.993 0.030 . 2 . . . . 77 PHE HB3 . 11104 1 893 . 1 1 77 77 PHE HD1 H 1 7.347 0.030 . 1 . . . . 77 PHE HD1 . 11104 1 894 . 1 1 77 77 PHE HD2 H 1 7.347 0.030 . 1 . . . . 77 PHE HD2 . 11104 1 895 . 1 1 77 77 PHE HE1 H 1 7.153 0.030 . 1 . . . . 77 PHE HE1 . 11104 1 896 . 1 1 77 77 PHE HE2 H 1 7.153 0.030 . 1 . . . . 77 PHE HE2 . 11104 1 897 . 1 1 77 77 PHE HZ H 1 7.539 0.030 . 1 . . . . 77 PHE HZ . 11104 1 898 . 1 1 77 77 PHE C C 13 173.165 0.300 . 1 . . . . 77 PHE C . 11104 1 899 . 1 1 77 77 PHE CA C 13 57.825 0.300 . 1 . . . . 77 PHE CA . 11104 1 900 . 1 1 77 77 PHE CB C 13 38.464 0.300 . 1 . . . . 77 PHE CB . 11104 1 901 . 1 1 77 77 PHE CD1 C 13 131.664 0.300 . 1 . . . . 77 PHE CD1 . 11104 1 902 . 1 1 77 77 PHE CD2 C 13 131.664 0.300 . 1 . . . . 77 PHE CD2 . 11104 1 903 . 1 1 77 77 PHE CE1 C 13 131.640 0.300 . 1 . . . . 77 PHE CE1 . 11104 1 904 . 1 1 77 77 PHE CE2 C 13 131.640 0.300 . 1 . . . . 77 PHE CE2 . 11104 1 905 . 1 1 77 77 PHE CZ C 13 130.129 0.300 . 1 . . . . 77 PHE CZ . 11104 1 906 . 1 1 77 77 PHE N N 15 112.509 0.300 . 1 . . . . 77 PHE N . 11104 1 907 . 1 1 78 78 ASP H H 1 7.737 0.030 . 1 . . . . 78 ASP H . 11104 1 908 . 1 1 78 78 ASP HA H 1 4.162 0.030 . 1 . . . . 78 ASP HA . 11104 1 909 . 1 1 78 78 ASP HB2 H 1 2.907 0.030 . 2 . . . . 78 ASP HB2 . 11104 1 910 . 1 1 78 78 ASP HB3 H 1 2.415 0.030 . 2 . . . . 78 ASP HB3 . 11104 1 911 . 1 1 78 78 ASP C C 13 174.892 0.300 . 1 . . . . 78 ASP C . 11104 1 912 . 1 1 78 78 ASP CA C 13 55.008 0.300 . 1 . . . . 78 ASP CA . 11104 1 913 . 1 1 78 78 ASP CB C 13 39.384 0.300 . 1 . . . . 78 ASP CB . 11104 1 914 . 1 1 78 78 ASP N N 15 118.489 0.300 . 1 . . . . 78 ASP N . 11104 1 915 . 1 1 79 79 VAL H H 1 7.992 0.030 . 1 . . . . 79 VAL H . 11104 1 916 . 1 1 79 79 VAL HA H 1 3.712 0.030 . 1 . . . . 79 VAL HA . 11104 1 917 . 1 1 79 79 VAL HB H 1 1.751 0.030 . 1 . . . . 79 VAL HB . 11104 1 918 . 1 1 79 79 VAL HG11 H 1 0.752 0.030 . 1 . . . . 79 VAL HG1 . 11104 1 919 . 1 1 79 79 VAL HG12 H 1 0.752 0.030 . 1 . . . . 79 VAL HG1 . 11104 1 920 . 1 1 79 79 VAL HG13 H 1 0.752 0.030 . 1 . . . . 79 VAL HG1 . 11104 1 921 . 1 1 79 79 VAL HG21 H 1 0.186 0.030 . 1 . . . . 79 VAL HG2 . 11104 1 922 . 1 1 79 79 VAL HG22 H 1 0.186 0.030 . 1 . . . . 79 VAL HG2 . 11104 1 923 . 1 1 79 79 VAL HG23 H 1 0.186 0.030 . 1 . . . . 79 VAL HG2 . 11104 1 924 . 1 1 79 79 VAL C C 13 176.459 0.300 . 1 . . . . 79 VAL C . 11104 1 925 . 1 1 79 79 VAL CA C 13 63.811 0.300 . 1 . . . . 79 VAL CA . 11104 1 926 . 1 1 79 79 VAL CB C 13 30.979 0.300 . 1 . . . . 79 VAL CB . 11104 1 927 . 1 1 79 79 VAL CG1 C 13 21.541 0.300 . 2 . . . . 79 VAL CG1 . 11104 1 928 . 1 1 79 79 VAL CG2 C 13 21.239 0.300 . 2 . . . . 79 VAL CG2 . 11104 1 929 . 1 1 79 79 VAL N N 15 118.337 0.300 . 1 . . . . 79 VAL N . 11104 1 930 . 1 1 80 80 SER H H 1 8.904 0.030 . 1 . . . . 80 SER H . 11104 1 931 . 1 1 80 80 SER HA H 1 4.443 0.030 . 1 . . . . 80 SER HA . 11104 1 932 . 1 1 80 80 SER HB2 H 1 3.828 0.030 . 2 . . . . 80 SER HB2 . 11104 1 933 . 1 1 80 80 SER HB3 H 1 3.613 0.030 . 2 . . . . 80 SER HB3 . 11104 1 934 . 1 1 80 80 SER C C 13 172.989 0.300 . 1 . . . . 80 SER C . 11104 1 935 . 1 1 80 80 SER CA C 13 57.510 0.300 . 1 . . . . 80 SER CA . 11104 1 936 . 1 1 80 80 SER CB C 13 64.477 0.300 . 1 . . . . 80 SER CB . 11104 1 937 . 1 1 80 80 SER N N 15 123.860 0.300 . 1 . . . . 80 SER N . 11104 1 938 . 1 1 81 81 GLY H H 1 7.251 0.030 . 1 . . . . 81 GLY H . 11104 1 939 . 1 1 81 81 GLY HA2 H 1 3.583 0.030 . 2 . . . . 81 GLY HA2 . 11104 1 940 . 1 1 81 81 GLY HA3 H 1 3.489 0.030 . 2 . . . . 81 GLY HA3 . 11104 1 941 . 1 1 81 81 GLY C C 13 171.320 0.300 . 1 . . . . 81 GLY C . 11104 1 942 . 1 1 81 81 GLY CA C 13 43.858 0.300 . 1 . . . . 81 GLY CA . 11104 1 943 . 1 1 81 81 GLY N N 15 110.126 0.300 . 1 . . . . 81 GLY N . 11104 1 944 . 1 1 82 82 TYR H H 1 8.205 0.030 . 1 . . . . 82 TYR H . 11104 1 945 . 1 1 82 82 TYR HA H 1 5.050 0.030 . 1 . . . . 82 TYR HA . 11104 1 946 . 1 1 82 82 TYR HB2 H 1 2.992 0.030 . 2 . . . . 82 TYR HB2 . 11104 1 947 . 1 1 82 82 TYR HB3 H 1 2.840 0.030 . 2 . . . . 82 TYR HB3 . 11104 1 948 . 1 1 82 82 TYR HD1 H 1 6.717 0.030 . 1 . . . . 82 TYR HD1 . 11104 1 949 . 1 1 82 82 TYR HD2 H 1 6.717 0.030 . 1 . . . . 82 TYR HD2 . 11104 1 950 . 1 1 82 82 TYR HE1 H 1 6.532 0.030 . 1 . . . . 82 TYR HE1 . 11104 1 951 . 1 1 82 82 TYR HE2 H 1 6.532 0.030 . 1 . . . . 82 TYR HE2 . 11104 1 952 . 1 1 82 82 TYR C C 13 173.299 0.300 . 1 . . . . 82 TYR C . 11104 1 953 . 1 1 82 82 TYR CA C 13 53.843 0.300 . 1 . . . . 82 TYR CA . 11104 1 954 . 1 1 82 82 TYR CB C 13 41.082 0.300 . 1 . . . . 82 TYR CB . 11104 1 955 . 1 1 82 82 TYR CD1 C 13 133.187 0.300 . 1 . . . . 82 TYR CD1 . 11104 1 956 . 1 1 82 82 TYR CD2 C 13 133.187 0.300 . 1 . . . . 82 TYR CD2 . 11104 1 957 . 1 1 82 82 TYR CE1 C 13 117.565 0.300 . 1 . . . . 82 TYR CE1 . 11104 1 958 . 1 1 82 82 TYR CE2 C 13 117.565 0.300 . 1 . . . . 82 TYR CE2 . 11104 1 959 . 1 1 82 82 TYR N N 15 117.495 0.300 . 1 . . . . 82 TYR N . 11104 1 960 . 1 1 83 83 PRO HA H 1 5.142 0.030 . 1 . . . . 83 PRO HA . 11104 1 961 . 1 1 83 83 PRO HB2 H 1 2.826 0.030 . 2 . . . . 83 PRO HB2 . 11104 1 962 . 1 1 83 83 PRO HB3 H 1 1.690 0.030 . 2 . . . . 83 PRO HB3 . 11104 1 963 . 1 1 83 83 PRO HD2 H 1 3.764 0.030 . 2 . . . . 83 PRO HD2 . 11104 1 964 . 1 1 83 83 PRO HD3 H 1 3.397 0.030 . 2 . . . . 83 PRO HD3 . 11104 1 965 . 1 1 83 83 PRO HG2 H 1 1.878 0.030 . 2 . . . . 83 PRO HG2 . 11104 1 966 . 1 1 83 83 PRO HG3 H 1 1.847 0.030 . 2 . . . . 83 PRO HG3 . 11104 1 967 . 1 1 83 83 PRO C C 13 177.679 0.300 . 1 . . . . 83 PRO C . 11104 1 968 . 1 1 83 83 PRO CA C 13 63.116 0.300 . 1 . . . . 83 PRO CA . 11104 1 969 . 1 1 83 83 PRO CB C 13 34.197 0.300 . 1 . . . . 83 PRO CB . 11104 1 970 . 1 1 83 83 PRO CD C 13 49.707 0.300 . 1 . . . . 83 PRO CD . 11104 1 971 . 1 1 83 83 PRO CG C 13 24.692 0.300 . 1 . . . . 83 PRO CG . 11104 1 972 . 1 1 84 84 THR H H 1 8.906 0.030 . 1 . . . . 84 THR H . 11104 1 973 . 1 1 84 84 THR HA H 1 4.752 0.030 . 1 . . . . 84 THR HA . 11104 1 974 . 1 1 84 84 THR HB H 1 4.109 0.030 . 1 . . . . 84 THR HB . 11104 1 975 . 1 1 84 84 THR HG21 H 1 1.277 0.030 . 1 . . . . 84 THR HG2 . 11104 1 976 . 1 1 84 84 THR HG22 H 1 1.277 0.030 . 1 . . . . 84 THR HG2 . 11104 1 977 . 1 1 84 84 THR HG23 H 1 1.277 0.030 . 1 . . . . 84 THR HG2 . 11104 1 978 . 1 1 84 84 THR C C 13 172.734 0.300 . 1 . . . . 84 THR C . 11104 1 979 . 1 1 84 84 THR CA C 13 63.386 0.300 . 1 . . . . 84 THR CA . 11104 1 980 . 1 1 84 84 THR CB C 13 71.856 0.300 . 1 . . . . 84 THR CB . 11104 1 981 . 1 1 84 84 THR CG2 C 13 21.034 0.300 . 1 . . . . 84 THR CG2 . 11104 1 982 . 1 1 84 84 THR N N 15 117.347 0.300 . 1 . . . . 84 THR N . 11104 1 983 . 1 1 85 85 LEU H H 1 9.561 0.030 . 1 . . . . 85 LEU H . 11104 1 984 . 1 1 85 85 LEU HA H 1 5.575 0.030 . 1 . . . . 85 LEU HA . 11104 1 985 . 1 1 85 85 LEU HB2 H 1 1.672 0.030 . 2 . . . . 85 LEU HB2 . 11104 1 986 . 1 1 85 85 LEU HB3 H 1 1.137 0.030 . 2 . . . . 85 LEU HB3 . 11104 1 987 . 1 1 85 85 LEU HD11 H 1 0.708 0.030 . 1 . . . . 85 LEU HD1 . 11104 1 988 . 1 1 85 85 LEU HD12 H 1 0.708 0.030 . 1 . . . . 85 LEU HD1 . 11104 1 989 . 1 1 85 85 LEU HD13 H 1 0.708 0.030 . 1 . . . . 85 LEU HD1 . 11104 1 990 . 1 1 85 85 LEU HD21 H 1 0.521 0.030 . 1 . . . . 85 LEU HD2 . 11104 1 991 . 1 1 85 85 LEU HD22 H 1 0.521 0.030 . 1 . . . . 85 LEU HD2 . 11104 1 992 . 1 1 85 85 LEU HD23 H 1 0.521 0.030 . 1 . . . . 85 LEU HD2 . 11104 1 993 . 1 1 85 85 LEU HG H 1 1.338 0.030 . 1 . . . . 85 LEU HG . 11104 1 994 . 1 1 85 85 LEU C C 13 175.102 0.300 . 1 . . . . 85 LEU C . 11104 1 995 . 1 1 85 85 LEU CA C 13 54.861 0.300 . 1 . . . . 85 LEU CA . 11104 1 996 . 1 1 85 85 LEU CB C 13 44.554 0.300 . 1 . . . . 85 LEU CB . 11104 1 997 . 1 1 85 85 LEU CD1 C 13 25.344 0.300 . 2 . . . . 85 LEU CD1 . 11104 1 998 . 1 1 85 85 LEU CD2 C 13 25.940 0.300 . 2 . . . . 85 LEU CD2 . 11104 1 999 . 1 1 85 85 LEU CG C 13 29.793 0.300 . 1 . . . . 85 LEU CG . 11104 1 1000 . 1 1 85 85 LEU N N 15 131.372 0.300 . 1 . . . . 85 LEU N . 11104 1 1001 . 1 1 86 86 LYS H H 1 9.224 0.030 . 1 . . . . 86 LYS H . 11104 1 1002 . 1 1 86 86 LYS HA H 1 4.959 0.030 . 1 . . . . 86 LYS HA . 11104 1 1003 . 1 1 86 86 LYS HB2 H 1 1.646 0.030 . 2 . . . . 86 LYS HB2 . 11104 1 1004 . 1 1 86 86 LYS HB3 H 1 1.465 0.030 . 2 . . . . 86 LYS HB3 . 11104 1 1005 . 1 1 86 86 LYS HD2 H 1 1.738 0.030 . 2 . . . . 86 LYS HD2 . 11104 1 1006 . 1 1 86 86 LYS HD3 H 1 1.389 0.030 . 2 . . . . 86 LYS HD3 . 11104 1 1007 . 1 1 86 86 LYS HE2 H 1 2.908 0.030 . 2 . . . . 86 LYS HE2 . 11104 1 1008 . 1 1 86 86 LYS HE3 H 1 2.589 0.030 . 2 . . . . 86 LYS HE3 . 11104 1 1009 . 1 1 86 86 LYS HG2 H 1 1.226 0.030 . 2 . . . . 86 LYS HG2 . 11104 1 1010 . 1 1 86 86 LYS HG3 H 1 1.394 0.030 . 2 . . . . 86 LYS HG3 . 11104 1 1011 . 1 1 86 86 LYS C C 13 175.035 0.300 . 1 . . . . 86 LYS C . 11104 1 1012 . 1 1 86 86 LYS CA C 13 54.279 0.300 . 1 . . . . 86 LYS CA . 11104 1 1013 . 1 1 86 86 LYS CB C 13 37.644 0.300 . 1 . . . . 86 LYS CB . 11104 1 1014 . 1 1 86 86 LYS CD C 13 28.740 0.300 . 1 . . . . 86 LYS CD . 11104 1 1015 . 1 1 86 86 LYS CE C 13 42.213 0.300 . 1 . . . . 86 LYS CE . 11104 1 1016 . 1 1 86 86 LYS CG C 13 25.420 0.300 . 1 . . . . 86 LYS CG . 11104 1 1017 . 1 1 86 86 LYS N N 15 120.787 0.300 . 1 . . . . 86 LYS N . 11104 1 1018 . 1 1 87 87 ILE H H 1 8.754 0.030 . 1 . . . . 87 ILE H . 11104 1 1019 . 1 1 87 87 ILE HA H 1 4.871 0.030 . 1 . . . . 87 ILE HA . 11104 1 1020 . 1 1 87 87 ILE HB H 1 1.639 0.030 . 1 . . . . 87 ILE HB . 11104 1 1021 . 1 1 87 87 ILE HD11 H 1 1.165 0.030 . 1 . . . . 87 ILE HD1 . 11104 1 1022 . 1 1 87 87 ILE HD12 H 1 1.165 0.030 . 1 . . . . 87 ILE HD1 . 11104 1 1023 . 1 1 87 87 ILE HD13 H 1 1.165 0.030 . 1 . . . . 87 ILE HD1 . 11104 1 1024 . 1 1 87 87 ILE HG12 H 1 1.987 0.030 . 2 . . . . 87 ILE HG12 . 11104 1 1025 . 1 1 87 87 ILE HG13 H 1 1.052 0.030 . 2 . . . . 87 ILE HG13 . 11104 1 1026 . 1 1 87 87 ILE HG21 H 1 0.829 0.030 . 1 . . . . 87 ILE HG2 . 11104 1 1027 . 1 1 87 87 ILE HG22 H 1 0.829 0.030 . 1 . . . . 87 ILE HG2 . 11104 1 1028 . 1 1 87 87 ILE HG23 H 1 0.829 0.030 . 1 . . . . 87 ILE HG2 . 11104 1 1029 . 1 1 87 87 ILE C C 13 174.984 0.300 . 1 . . . . 87 ILE C . 11104 1 1030 . 1 1 87 87 ILE CA C 13 60.186 0.300 . 1 . . . . 87 ILE CA . 11104 1 1031 . 1 1 87 87 ILE CB C 13 40.774 0.300 . 1 . . . . 87 ILE CB . 11104 1 1032 . 1 1 87 87 ILE CD1 C 13 14.596 0.300 . 1 . . . . 87 ILE CD1 . 11104 1 1033 . 1 1 87 87 ILE CG1 C 13 30.125 0.300 . 1 . . . . 87 ILE CG1 . 11104 1 1034 . 1 1 87 87 ILE CG2 C 13 17.857 0.300 . 1 . . . . 87 ILE CG2 . 11104 1 1035 . 1 1 87 87 ILE N N 15 123.413 0.300 . 1 . . . . 87 ILE N . 11104 1 1036 . 1 1 88 88 PHE H H 1 9.219 0.030 . 1 . . . . 88 PHE H . 11104 1 1037 . 1 1 88 88 PHE HA H 1 5.792 0.030 . 1 . . . . 88 PHE HA . 11104 1 1038 . 1 1 88 88 PHE HB2 H 1 2.906 0.030 . 2 . . . . 88 PHE HB2 . 11104 1 1039 . 1 1 88 88 PHE HB3 H 1 2.364 0.030 . 2 . . . . 88 PHE HB3 . 11104 1 1040 . 1 1 88 88 PHE HD1 H 1 6.761 0.030 . 1 . . . . 88 PHE HD1 . 11104 1 1041 . 1 1 88 88 PHE HD2 H 1 6.761 0.030 . 1 . . . . 88 PHE HD2 . 11104 1 1042 . 1 1 88 88 PHE HE1 H 1 7.062 0.030 . 1 . . . . 88 PHE HE1 . 11104 1 1043 . 1 1 88 88 PHE HE2 H 1 7.062 0.030 . 1 . . . . 88 PHE HE2 . 11104 1 1044 . 1 1 88 88 PHE HZ H 1 5.937 0.030 . 1 . . . . 88 PHE HZ . 11104 1 1045 . 1 1 88 88 PHE C C 13 176.015 0.300 . 1 . . . . 88 PHE C . 11104 1 1046 . 1 1 88 88 PHE CA C 13 55.928 0.300 . 1 . . . . 88 PHE CA . 11104 1 1047 . 1 1 88 88 PHE CB C 13 42.734 0.300 . 1 . . . . 88 PHE CB . 11104 1 1048 . 1 1 88 88 PHE CD1 C 13 131.732 0.300 . 1 . . . . 88 PHE CD1 . 11104 1 1049 . 1 1 88 88 PHE CD2 C 13 131.732 0.300 . 1 . . . . 88 PHE CD2 . 11104 1 1050 . 1 1 88 88 PHE CE1 C 13 130.848 0.300 . 1 . . . . 88 PHE CE1 . 11104 1 1051 . 1 1 88 88 PHE CE2 C 13 130.848 0.300 . 1 . . . . 88 PHE CE2 . 11104 1 1052 . 1 1 88 88 PHE CZ C 13 128.236 0.300 . 1 . . . . 88 PHE CZ . 11104 1 1053 . 1 1 88 88 PHE N N 15 123.748 0.300 . 1 . . . . 88 PHE N . 11104 1 1054 . 1 1 89 89 ARG H H 1 8.778 0.030 . 1 . . . . 89 ARG H . 11104 1 1055 . 1 1 89 89 ARG HA H 1 5.027 0.030 . 1 . . . . 89 ARG HA . 11104 1 1056 . 1 1 89 89 ARG HB2 H 1 1.916 0.030 . 2 . . . . 89 ARG HB2 . 11104 1 1057 . 1 1 89 89 ARG HB3 H 1 1.833 0.030 . 2 . . . . 89 ARG HB3 . 11104 1 1058 . 1 1 89 89 ARG HD2 H 1 3.042 0.030 . 2 . . . . 89 ARG HD2 . 11104 1 1059 . 1 1 89 89 ARG HD3 H 1 2.665 0.030 . 2 . . . . 89 ARG HD3 . 11104 1 1060 . 1 1 89 89 ARG HE H 1 7.478 0.030 . 1 . . . . 89 ARG HE . 11104 1 1061 . 1 1 89 89 ARG HG2 H 1 1.625 0.030 . 2 . . . . 89 ARG HG2 . 11104 1 1062 . 1 1 89 89 ARG HG3 H 1 1.432 0.030 . 2 . . . . 89 ARG HG3 . 11104 1 1063 . 1 1 89 89 ARG C C 13 176.266 0.300 . 1 . . . . 89 ARG C . 11104 1 1064 . 1 1 89 89 ARG CA C 13 54.978 0.300 . 1 . . . . 89 ARG CA . 11104 1 1065 . 1 1 89 89 ARG CB C 13 32.244 0.300 . 1 . . . . 89 ARG CB . 11104 1 1066 . 1 1 89 89 ARG CD C 13 43.245 0.300 . 1 . . . . 89 ARG CD . 11104 1 1067 . 1 1 89 89 ARG CG C 13 27.876 0.300 . 1 . . . . 89 ARG CG . 11104 1 1068 . 1 1 89 89 ARG N N 15 118.044 0.300 . 1 . . . . 89 ARG N . 11104 1 1069 . 1 1 89 89 ARG NE N 15 85.538 0.300 . 1 . . . . 89 ARG NE . 11104 1 1070 . 1 1 90 90 LYS H H 1 8.895 0.030 . 1 . . . . 90 LYS H . 11104 1 1071 . 1 1 90 90 LYS HA H 1 3.883 0.030 . 1 . . . . 90 LYS HA . 11104 1 1072 . 1 1 90 90 LYS HB2 H 1 2.055 0.030 . 2 . . . . 90 LYS HB2 . 11104 1 1073 . 1 1 90 90 LYS HB3 H 1 1.921 0.030 . 2 . . . . 90 LYS HB3 . 11104 1 1074 . 1 1 90 90 LYS HD2 H 1 1.623 0.030 . 1 . . . . 90 LYS HD2 . 11104 1 1075 . 1 1 90 90 LYS HD3 H 1 1.623 0.030 . 1 . . . . 90 LYS HD3 . 11104 1 1076 . 1 1 90 90 LYS HE2 H 1 3.006 0.030 . 1 . . . . 90 LYS HE2 . 11104 1 1077 . 1 1 90 90 LYS HE3 H 1 3.006 0.030 . 1 . . . . 90 LYS HE3 . 11104 1 1078 . 1 1 90 90 LYS HG2 H 1 1.413 0.030 . 2 . . . . 90 LYS HG2 . 11104 1 1079 . 1 1 90 90 LYS HG3 H 1 1.585 0.030 . 2 . . . . 90 LYS HG3 . 11104 1 1080 . 1 1 90 90 LYS C C 13 176.934 0.300 . 1 . . . . 90 LYS C . 11104 1 1081 . 1 1 90 90 LYS CA C 13 56.543 0.300 . 1 . . . . 90 LYS CA . 11104 1 1082 . 1 1 90 90 LYS CB C 13 30.297 0.300 . 1 . . . . 90 LYS CB . 11104 1 1083 . 1 1 90 90 LYS CD C 13 28.728 0.300 . 1 . . . . 90 LYS CD . 11104 1 1084 . 1 1 90 90 LYS CE C 13 42.317 0.300 . 1 . . . . 90 LYS CE . 11104 1 1085 . 1 1 90 90 LYS CG C 13 24.893 0.300 . 1 . . . . 90 LYS CG . 11104 1 1086 . 1 1 90 90 LYS N N 15 126.521 0.300 . 1 . . . . 90 LYS N . 11104 1 1087 . 1 1 91 91 GLY H H 1 8.464 0.030 . 1 . . . . 91 GLY H . 11104 1 1088 . 1 1 91 91 GLY HA2 H 1 4.535 0.030 . 2 . . . . 91 GLY HA2 . 11104 1 1089 . 1 1 91 91 GLY HA3 H 1 3.405 0.030 . 2 . . . . 91 GLY HA3 . 11104 1 1090 . 1 1 91 91 GLY C C 13 173.407 0.300 . 1 . . . . 91 GLY C . 11104 1 1091 . 1 1 91 91 GLY CA C 13 46.086 0.300 . 1 . . . . 91 GLY CA . 11104 1 1092 . 1 1 91 91 GLY N N 15 103.508 0.300 . 1 . . . . 91 GLY N . 11104 1 1093 . 1 1 92 92 ARG H H 1 8.231 0.030 . 1 . . . . 92 ARG H . 11104 1 1094 . 1 1 92 92 ARG HA H 1 4.973 0.030 . 1 . . . . 92 ARG HA . 11104 1 1095 . 1 1 92 92 ARG HB2 H 1 2.051 0.030 . 2 . . . . 92 ARG HB2 . 11104 1 1096 . 1 1 92 92 ARG HB3 H 1 2.002 0.030 . 2 . . . . 92 ARG HB3 . 11104 1 1097 . 1 1 92 92 ARG HD2 H 1 3.255 0.030 . 1 . . . . 92 ARG HD2 . 11104 1 1098 . 1 1 92 92 ARG HD3 H 1 3.255 0.030 . 1 . . . . 92 ARG HD3 . 11104 1 1099 . 1 1 92 92 ARG HG2 H 1 1.728 0.030 . 2 . . . . 92 ARG HG2 . 11104 1 1100 . 1 1 92 92 ARG HG3 H 1 1.469 0.030 . 2 . . . . 92 ARG HG3 . 11104 1 1101 . 1 1 92 92 ARG C C 13 174.455 0.300 . 1 . . . . 92 ARG C . 11104 1 1102 . 1 1 92 92 ARG CA C 13 53.059 0.300 . 1 . . . . 92 ARG CA . 11104 1 1103 . 1 1 92 92 ARG CB C 13 31.040 0.300 . 1 . . . . 92 ARG CB . 11104 1 1104 . 1 1 92 92 ARG CD C 13 43.609 0.300 . 1 . . . . 92 ARG CD . 11104 1 1105 . 1 1 92 92 ARG CG C 13 26.880 0.300 . 1 . . . . 92 ARG CG . 11104 1 1106 . 1 1 92 92 ARG N N 15 124.059 0.300 . 1 . . . . 92 ARG N . 11104 1 1107 . 1 1 93 93 PRO HA H 1 4.250 0.030 . 1 . . . . 93 PRO HA . 11104 1 1108 . 1 1 93 93 PRO HB2 H 1 1.501 0.030 . 2 . . . . 93 PRO HB2 . 11104 1 1109 . 1 1 93 93 PRO HB3 H 1 1.331 0.030 . 2 . . . . 93 PRO HB3 . 11104 1 1110 . 1 1 93 93 PRO HD2 H 1 4.062 0.030 . 2 . . . . 93 PRO HD2 . 11104 1 1111 . 1 1 93 93 PRO HD3 H 1 3.800 0.030 . 2 . . . . 93 PRO HD3 . 11104 1 1112 . 1 1 93 93 PRO HG2 H 1 2.183 0.030 . 2 . . . . 93 PRO HG2 . 11104 1 1113 . 1 1 93 93 PRO HG3 H 1 2.122 0.030 . 2 . . . . 93 PRO HG3 . 11104 1 1114 . 1 1 93 93 PRO C C 13 176.448 0.300 . 1 . . . . 93 PRO C . 11104 1 1115 . 1 1 93 93 PRO CA C 13 62.015 0.300 . 1 . . . . 93 PRO CA . 11104 1 1116 . 1 1 93 93 PRO CB C 13 32.029 0.300 . 1 . . . . 93 PRO CB . 11104 1 1117 . 1 1 93 93 PRO CD C 13 50.999 0.300 . 1 . . . . 93 PRO CD . 11104 1 1118 . 1 1 93 93 PRO CG C 13 26.754 0.300 . 1 . . . . 93 PRO CG . 11104 1 1119 . 1 1 94 94 PHE H H 1 9.245 0.030 . 1 . . . . 94 PHE H . 11104 1 1120 . 1 1 94 94 PHE HA H 1 4.515 0.030 . 1 . . . . 94 PHE HA . 11104 1 1121 . 1 1 94 94 PHE HB2 H 1 3.125 0.030 . 2 . . . . 94 PHE HB2 . 11104 1 1122 . 1 1 94 94 PHE HB3 H 1 2.735 0.030 . 2 . . . . 94 PHE HB3 . 11104 1 1123 . 1 1 94 94 PHE HD1 H 1 7.381 0.030 . 1 . . . . 94 PHE HD1 . 11104 1 1124 . 1 1 94 94 PHE HD2 H 1 7.381 0.030 . 1 . . . . 94 PHE HD2 . 11104 1 1125 . 1 1 94 94 PHE HE1 H 1 7.316 0.030 . 1 . . . . 94 PHE HE1 . 11104 1 1126 . 1 1 94 94 PHE HE2 H 1 7.316 0.030 . 1 . . . . 94 PHE HE2 . 11104 1 1127 . 1 1 94 94 PHE HZ H 1 7.326 0.030 . 1 . . . . 94 PHE HZ . 11104 1 1128 . 1 1 94 94 PHE C C 13 175.051 0.300 . 1 . . . . 94 PHE C . 11104 1 1129 . 1 1 94 94 PHE CA C 13 56.690 0.300 . 1 . . . . 94 PHE CA . 11104 1 1130 . 1 1 94 94 PHE CB C 13 42.363 0.300 . 1 . . . . 94 PHE CB . 11104 1 1131 . 1 1 94 94 PHE CD1 C 13 132.961 0.300 . 1 . . . . 94 PHE CD1 . 11104 1 1132 . 1 1 94 94 PHE CD2 C 13 132.961 0.300 . 1 . . . . 94 PHE CD2 . 11104 1 1133 . 1 1 94 94 PHE CE1 C 13 131.279 0.300 . 1 . . . . 94 PHE CE1 . 11104 1 1134 . 1 1 94 94 PHE CE2 C 13 131.279 0.300 . 1 . . . . 94 PHE CE2 . 11104 1 1135 . 1 1 94 94 PHE CZ C 13 129.342 0.300 . 1 . . . . 94 PHE CZ . 11104 1 1136 . 1 1 94 94 PHE N N 15 119.122 0.300 . 1 . . . . 94 PHE N . 11104 1 1137 . 1 1 95 95 ASP H H 1 8.801 0.030 . 1 . . . . 95 ASP H . 11104 1 1138 . 1 1 95 95 ASP HA H 1 4.645 0.030 . 1 . . . . 95 ASP HA . 11104 1 1139 . 1 1 95 95 ASP HB2 H 1 2.636 0.030 . 2 . . . . 95 ASP HB2 . 11104 1 1140 . 1 1 95 95 ASP HB3 H 1 2.525 0.030 . 2 . . . . 95 ASP HB3 . 11104 1 1141 . 1 1 95 95 ASP C C 13 175.534 0.300 . 1 . . . . 95 ASP C . 11104 1 1142 . 1 1 95 95 ASP CA C 13 55.538 0.300 . 1 . . . . 95 ASP CA . 11104 1 1143 . 1 1 95 95 ASP CB C 13 40.654 0.300 . 1 . . . . 95 ASP CB . 11104 1 1144 . 1 1 95 95 ASP N N 15 121.694 0.300 . 1 . . . . 95 ASP N . 11104 1 1145 . 1 1 96 96 TYR H H 1 8.082 0.030 . 1 . . . . 96 TYR H . 11104 1 1146 . 1 1 96 96 TYR HA H 1 4.531 0.030 . 1 . . . . 96 TYR HA . 11104 1 1147 . 1 1 96 96 TYR HB2 H 1 3.015 0.030 . 2 . . . . 96 TYR HB2 . 11104 1 1148 . 1 1 96 96 TYR HB3 H 1 2.456 0.030 . 2 . . . . 96 TYR HB3 . 11104 1 1149 . 1 1 96 96 TYR HD1 H 1 7.028 0.030 . 1 . . . . 96 TYR HD1 . 11104 1 1150 . 1 1 96 96 TYR HD2 H 1 7.028 0.030 . 1 . . . . 96 TYR HD2 . 11104 1 1151 . 1 1 96 96 TYR HE1 H 1 6.525 0.030 . 1 . . . . 96 TYR HE1 . 11104 1 1152 . 1 1 96 96 TYR HE2 H 1 6.525 0.030 . 1 . . . . 96 TYR HE2 . 11104 1 1153 . 1 1 96 96 TYR C C 13 174.394 0.300 . 1 . . . . 96 TYR C . 11104 1 1154 . 1 1 96 96 TYR CA C 13 58.250 0.300 . 1 . . . . 96 TYR CA . 11104 1 1155 . 1 1 96 96 TYR CB C 13 40.092 0.300 . 1 . . . . 96 TYR CB . 11104 1 1156 . 1 1 96 96 TYR CD1 C 13 134.034 0.300 . 1 . . . . 96 TYR CD1 . 11104 1 1157 . 1 1 96 96 TYR CD2 C 13 134.034 0.300 . 1 . . . . 96 TYR CD2 . 11104 1 1158 . 1 1 96 96 TYR CE1 C 13 118.386 0.300 . 1 . . . . 96 TYR CE1 . 11104 1 1159 . 1 1 96 96 TYR CE2 C 13 118.386 0.300 . 1 . . . . 96 TYR CE2 . 11104 1 1160 . 1 1 96 96 TYR N N 15 120.763 0.300 . 1 . . . . 96 TYR N . 11104 1 1161 . 1 1 97 97 ASN HA H 1 5.056 0.030 . 1 . . . . 97 ASN HA . 11104 1 1162 . 1 1 97 97 ASN HB2 H 1 2.956 0.030 . 2 . . . . 97 ASN HB2 . 11104 1 1163 . 1 1 97 97 ASN HB3 H 1 2.427 0.030 . 2 . . . . 97 ASN HB3 . 11104 1 1164 . 1 1 97 97 ASN HD21 H 1 7.505 0.030 . 2 . . . . 97 ASN HD21 . 11104 1 1165 . 1 1 97 97 ASN HD22 H 1 7.096 0.030 . 2 . . . . 97 ASN HD22 . 11104 1 1166 . 1 1 97 97 ASN CA C 13 51.908 0.300 . 1 . . . . 97 ASN CA . 11104 1 1167 . 1 1 97 97 ASN CB C 13 39.195 0.300 . 1 . . . . 97 ASN CB . 11104 1 1168 . 1 1 97 97 ASN ND2 N 15 113.450 0.300 . 1 . . . . 97 ASN ND2 . 11104 1 1169 . 1 1 98 98 GLY H H 1 4.546 0.030 . 1 . . . . 98 GLY H . 11104 1 1170 . 1 1 98 98 GLY HA2 H 1 3.544 0.030 . 2 . . . . 98 GLY HA2 . 11104 1 1171 . 1 1 98 98 GLY HA3 H 1 1.804 0.030 . 2 . . . . 98 GLY HA3 . 11104 1 1172 . 1 1 98 98 GLY CA C 13 43.861 0.300 . 1 . . . . 98 GLY CA . 11104 1 1173 . 1 1 99 99 PRO HA H 1 4.650 0.030 . 1 . . . . 99 PRO HA . 11104 1 1174 . 1 1 99 99 PRO HB2 H 1 2.608 0.030 . 2 . . . . 99 PRO HB2 . 11104 1 1175 . 1 1 99 99 PRO HB3 H 1 1.807 0.030 . 2 . . . . 99 PRO HB3 . 11104 1 1176 . 1 1 99 99 PRO HD2 H 1 3.325 0.030 . 2 . . . . 99 PRO HD2 . 11104 1 1177 . 1 1 99 99 PRO HD3 H 1 2.919 0.030 . 2 . . . . 99 PRO HD3 . 11104 1 1178 . 1 1 99 99 PRO HG2 H 1 1.978 0.030 . 2 . . . . 99 PRO HG2 . 11104 1 1179 . 1 1 99 99 PRO HG3 H 1 1.798 0.030 . 2 . . . . 99 PRO HG3 . 11104 1 1180 . 1 1 99 99 PRO C C 13 176.625 0.300 . 1 . . . . 99 PRO C . 11104 1 1181 . 1 1 99 99 PRO CA C 13 62.128 0.300 . 1 . . . . 99 PRO CA . 11104 1 1182 . 1 1 99 99 PRO CB C 13 33.767 0.300 . 1 . . . . 99 PRO CB . 11104 1 1183 . 1 1 99 99 PRO CD C 13 49.694 0.300 . 1 . . . . 99 PRO CD . 11104 1 1184 . 1 1 99 99 PRO CG C 13 27.741 0.300 . 1 . . . . 99 PRO CG . 11104 1 1185 . 1 1 100 100 ARG H H 1 8.868 0.030 . 1 . . . . 100 ARG H . 11104 1 1186 . 1 1 100 100 ARG HA H 1 4.449 0.030 . 1 . . . . 100 ARG HA . 11104 1 1187 . 1 1 100 100 ARG HB2 H 1 2.184 0.030 . 2 . . . . 100 ARG HB2 . 11104 1 1188 . 1 1 100 100 ARG HB3 H 1 1.630 0.030 . 2 . . . . 100 ARG HB3 . 11104 1 1189 . 1 1 100 100 ARG HD2 H 1 3.145 0.030 . 1 . . . . 100 ARG HD2 . 11104 1 1190 . 1 1 100 100 ARG HD3 H 1 3.145 0.030 . 1 . . . . 100 ARG HD3 . 11104 1 1191 . 1 1 100 100 ARG HG2 H 1 1.771 0.030 . 2 . . . . 100 ARG HG2 . 11104 1 1192 . 1 1 100 100 ARG HG3 H 1 1.432 0.030 . 2 . . . . 100 ARG HG3 . 11104 1 1193 . 1 1 100 100 ARG C C 13 173.459 0.300 . 1 . . . . 100 ARG C . 11104 1 1194 . 1 1 100 100 ARG CA C 13 54.978 0.300 . 1 . . . . 100 ARG CA . 11104 1 1195 . 1 1 100 100 ARG CB C 13 30.545 0.300 . 1 . . . . 100 ARG CB . 11104 1 1196 . 1 1 100 100 ARG CD C 13 43.844 0.300 . 1 . . . . 100 ARG CD . 11104 1 1197 . 1 1 100 100 ARG CG C 13 27.940 0.300 . 1 . . . . 100 ARG CG . 11104 1 1198 . 1 1 100 100 ARG N N 15 117.016 0.300 . 1 . . . . 100 ARG N . 11104 1 1199 . 1 1 101 101 GLU H H 1 6.760 0.030 . 1 . . . . 101 GLU H . 11104 1 1200 . 1 1 101 101 GLU HA H 1 4.592 0.030 . 1 . . . . 101 GLU HA . 11104 1 1201 . 1 1 101 101 GLU HB2 H 1 2.126 0.030 . 1 . . . . 101 GLU HB2 . 11104 1 1202 . 1 1 101 101 GLU HB3 H 1 2.126 0.030 . 1 . . . . 101 GLU HB3 . 11104 1 1203 . 1 1 101 101 GLU HG2 H 1 2.380 0.030 . 2 . . . . 101 GLU HG2 . 11104 1 1204 . 1 1 101 101 GLU HG3 H 1 2.298 0.030 . 2 . . . . 101 GLU HG3 . 11104 1 1205 . 1 1 101 101 GLU C C 13 175.904 0.300 . 1 . . . . 101 GLU C . 11104 1 1206 . 1 1 101 101 GLU CA C 13 54.905 0.300 . 1 . . . . 101 GLU CA . 11104 1 1207 . 1 1 101 101 GLU CB C 13 31.647 0.300 . 1 . . . . 101 GLU CB . 11104 1 1208 . 1 1 101 101 GLU CG C 13 35.688 0.300 . 1 . . . . 101 GLU CG . 11104 1 1209 . 1 1 101 101 GLU N N 15 115.171 0.300 . 1 . . . . 101 GLU N . 11104 1 1210 . 1 1 102 102 LYS H H 1 9.589 0.030 . 1 . . . . 102 LYS H . 11104 1 1211 . 1 1 102 102 LYS HA H 1 3.662 0.030 . 1 . . . . 102 LYS HA . 11104 1 1212 . 1 1 102 102 LYS HB2 H 1 1.858 0.030 . 2 . . . . 102 LYS HB2 . 11104 1 1213 . 1 1 102 102 LYS HB3 H 1 1.680 0.030 . 2 . . . . 102 LYS HB3 . 11104 1 1214 . 1 1 102 102 LYS HD2 H 1 1.325 0.030 . 2 . . . . 102 LYS HD2 . 11104 1 1215 . 1 1 102 102 LYS HD3 H 1 1.197 0.030 . 2 . . . . 102 LYS HD3 . 11104 1 1216 . 1 1 102 102 LYS HE2 H 1 2.455 0.030 . 1 . . . . 102 LYS HE2 . 11104 1 1217 . 1 1 102 102 LYS HE3 H 1 2.455 0.030 . 1 . . . . 102 LYS HE3 . 11104 1 1218 . 1 1 102 102 LYS HG2 H 1 0.916 0.030 . 2 . . . . 102 LYS HG2 . 11104 1 1219 . 1 1 102 102 LYS HG3 H 1 0.870 0.030 . 2 . . . . 102 LYS HG3 . 11104 1 1220 . 1 1 102 102 LYS C C 13 176.531 0.300 . 1 . . . . 102 LYS C . 11104 1 1221 . 1 1 102 102 LYS CA C 13 61.306 0.300 . 1 . . . . 102 LYS CA . 11104 1 1222 . 1 1 102 102 LYS CB C 13 32.755 0.300 . 1 . . . . 102 LYS CB . 11104 1 1223 . 1 1 102 102 LYS CD C 13 30.058 0.300 . 1 . . . . 102 LYS CD . 11104 1 1224 . 1 1 102 102 LYS CE C 13 41.838 0.300 . 1 . . . . 102 LYS CE . 11104 1 1225 . 1 1 102 102 LYS CG C 13 23.264 0.300 . 1 . . . . 102 LYS CG . 11104 1 1226 . 1 1 102 102 LYS N N 15 122.122 0.300 . 1 . . . . 102 LYS N . 11104 1 1227 . 1 1 103 103 TYR H H 1 8.481 0.030 . 1 . . . . 103 TYR H . 11104 1 1228 . 1 1 103 103 TYR HA H 1 4.096 0.030 . 1 . . . . 103 TYR HA . 11104 1 1229 . 1 1 103 103 TYR HB2 H 1 3.147 0.030 . 2 . . . . 103 TYR HB2 . 11104 1 1230 . 1 1 103 103 TYR HB3 H 1 3.123 0.030 . 2 . . . . 103 TYR HB3 . 11104 1 1231 . 1 1 103 103 TYR HD1 H 1 7.327 0.030 . 1 . . . . 103 TYR HD1 . 11104 1 1232 . 1 1 103 103 TYR HD2 H 1 7.327 0.030 . 1 . . . . 103 TYR HD2 . 11104 1 1233 . 1 1 103 103 TYR HE1 H 1 6.875 0.030 . 1 . . . . 103 TYR HE1 . 11104 1 1234 . 1 1 103 103 TYR HE2 H 1 6.875 0.030 . 1 . . . . 103 TYR HE2 . 11104 1 1235 . 1 1 103 103 TYR C C 13 178.276 0.300 . 1 . . . . 103 TYR C . 11104 1 1236 . 1 1 103 103 TYR CA C 13 62.000 0.300 . 1 . . . . 103 TYR CA . 11104 1 1237 . 1 1 103 103 TYR CB C 13 36.775 0.300 . 1 . . . . 103 TYR CB . 11104 1 1238 . 1 1 103 103 TYR CD1 C 13 133.307 0.300 . 1 . . . . 103 TYR CD1 . 11104 1 1239 . 1 1 103 103 TYR CD2 C 13 133.307 0.300 . 1 . . . . 103 TYR CD2 . 11104 1 1240 . 1 1 103 103 TYR CE1 C 13 118.291 0.300 . 1 . . . . 103 TYR CE1 . 11104 1 1241 . 1 1 103 103 TYR CE2 C 13 118.291 0.300 . 1 . . . . 103 TYR CE2 . 11104 1 1242 . 1 1 103 103 TYR N N 15 117.475 0.300 . 1 . . . . 103 TYR N . 11104 1 1243 . 1 1 104 104 GLY H H 1 8.313 0.030 . 1 . . . . 104 GLY H . 11104 1 1244 . 1 1 104 104 GLY HA2 H 1 4.067 0.030 . 2 . . . . 104 GLY HA2 . 11104 1 1245 . 1 1 104 104 GLY HA3 H 1 3.792 0.030 . 2 . . . . 104 GLY HA3 . 11104 1 1246 . 1 1 104 104 GLY C C 13 176.529 0.300 . 1 . . . . 104 GLY C . 11104 1 1247 . 1 1 104 104 GLY CA C 13 47.280 0.300 . 1 . . . . 104 GLY CA . 11104 1 1248 . 1 1 104 104 GLY N N 15 108.581 0.300 . 1 . . . . 104 GLY N . 11104 1 1249 . 1 1 105 105 ILE H H 1 8.445 0.030 . 1 . . . . 105 ILE H . 11104 1 1250 . 1 1 105 105 ILE HA H 1 3.807 0.030 . 1 . . . . 105 ILE HA . 11104 1 1251 . 1 1 105 105 ILE HB H 1 1.567 0.030 . 1 . . . . 105 ILE HB . 11104 1 1252 . 1 1 105 105 ILE HD11 H 1 0.489 0.030 . 1 . . . . 105 ILE HD1 . 11104 1 1253 . 1 1 105 105 ILE HD12 H 1 0.489 0.030 . 1 . . . . 105 ILE HD1 . 11104 1 1254 . 1 1 105 105 ILE HD13 H 1 0.489 0.030 . 1 . . . . 105 ILE HD1 . 11104 1 1255 . 1 1 105 105 ILE HG12 H 1 1.511 0.030 . 2 . . . . 105 ILE HG12 . 11104 1 1256 . 1 1 105 105 ILE HG13 H 1 0.980 0.030 . 2 . . . . 105 ILE HG13 . 11104 1 1257 . 1 1 105 105 ILE HG21 H 1 0.606 0.030 . 1 . . . . 105 ILE HG2 . 11104 1 1258 . 1 1 105 105 ILE HG22 H 1 0.606 0.030 . 1 . . . . 105 ILE HG2 . 11104 1 1259 . 1 1 105 105 ILE HG23 H 1 0.606 0.030 . 1 . . . . 105 ILE HG2 . 11104 1 1260 . 1 1 105 105 ILE C C 13 177.903 0.300 . 1 . . . . 105 ILE C . 11104 1 1261 . 1 1 105 105 ILE CA C 13 65.817 0.300 . 1 . . . . 105 ILE CA . 11104 1 1262 . 1 1 105 105 ILE CB C 13 38.621 0.300 . 1 . . . . 105 ILE CB . 11104 1 1263 . 1 1 105 105 ILE CD1 C 13 13.000 0.300 . 1 . . . . 105 ILE CD1 . 11104 1 1264 . 1 1 105 105 ILE CG1 C 13 28.321 0.300 . 1 . . . . 105 ILE CG1 . 11104 1 1265 . 1 1 105 105 ILE CG2 C 13 17.146 0.300 . 1 . . . . 105 ILE CG2 . 11104 1 1266 . 1 1 105 105 ILE N N 15 123.317 0.300 . 1 . . . . 105 ILE N . 11104 1 1267 . 1 1 106 106 VAL H H 1 7.726 0.030 . 1 . . . . 106 VAL H . 11104 1 1268 . 1 1 106 106 VAL HA H 1 3.437 0.030 . 1 . . . . 106 VAL HA . 11104 1 1269 . 1 1 106 106 VAL HB H 1 2.273 0.030 . 1 . . . . 106 VAL HB . 11104 1 1270 . 1 1 106 106 VAL HG11 H 1 0.963 0.030 . 1 . . . . 106 VAL HG1 . 11104 1 1271 . 1 1 106 106 VAL HG12 H 1 0.963 0.030 . 1 . . . . 106 VAL HG1 . 11104 1 1272 . 1 1 106 106 VAL HG13 H 1 0.963 0.030 . 1 . . . . 106 VAL HG1 . 11104 1 1273 . 1 1 106 106 VAL HG21 H 1 1.053 0.030 . 1 . . . . 106 VAL HG2 . 11104 1 1274 . 1 1 106 106 VAL HG22 H 1 1.053 0.030 . 1 . . . . 106 VAL HG2 . 11104 1 1275 . 1 1 106 106 VAL HG23 H 1 1.053 0.030 . 1 . . . . 106 VAL HG2 . 11104 1 1276 . 1 1 106 106 VAL C C 13 177.224 0.300 . 1 . . . . 106 VAL C . 11104 1 1277 . 1 1 106 106 VAL CA C 13 67.284 0.300 . 1 . . . . 106 VAL CA . 11104 1 1278 . 1 1 106 106 VAL CB C 13 31.840 0.300 . 1 . . . . 106 VAL CB . 11104 1 1279 . 1 1 106 106 VAL CG1 C 13 21.077 0.300 . 2 . . . . 106 VAL CG1 . 11104 1 1280 . 1 1 106 106 VAL CG2 C 13 23.662 0.300 . 2 . . . . 106 VAL CG2 . 11104 1 1281 . 1 1 106 106 VAL N N 15 118.162 0.300 . 1 . . . . 106 VAL N . 11104 1 1282 . 1 1 107 107 ASP H H 1 8.094 0.030 . 1 . . . . 107 ASP H . 11104 1 1283 . 1 1 107 107 ASP HA H 1 4.349 0.030 . 1 . . . . 107 ASP HA . 11104 1 1284 . 1 1 107 107 ASP HB2 H 1 2.700 0.030 . 1 . . . . 107 ASP HB2 . 11104 1 1285 . 1 1 107 107 ASP HB3 H 1 2.700 0.030 . 1 . . . . 107 ASP HB3 . 11104 1 1286 . 1 1 107 107 ASP C C 13 179.176 0.300 . 1 . . . . 107 ASP C . 11104 1 1287 . 1 1 107 107 ASP CA C 13 57.825 0.300 . 1 . . . . 107 ASP CA . 11104 1 1288 . 1 1 107 107 ASP CB C 13 40.775 0.300 . 1 . . . . 107 ASP CB . 11104 1 1289 . 1 1 107 107 ASP N N 15 117.463 0.300 . 1 . . . . 107 ASP N . 11104 1 1290 . 1 1 108 108 TYR H H 1 8.585 0.030 . 1 . . . . 108 TYR H . 11104 1 1291 . 1 1 108 108 TYR HA H 1 4.267 0.030 . 1 . . . . 108 TYR HA . 11104 1 1292 . 1 1 108 108 TYR HB2 H 1 3.250 0.030 . 2 . . . . 108 TYR HB2 . 11104 1 1293 . 1 1 108 108 TYR HB3 H 1 3.131 0.030 . 2 . . . . 108 TYR HB3 . 11104 1 1294 . 1 1 108 108 TYR HD1 H 1 7.084 0.030 . 1 . . . . 108 TYR HD1 . 11104 1 1295 . 1 1 108 108 TYR HD2 H 1 7.084 0.030 . 1 . . . . 108 TYR HD2 . 11104 1 1296 . 1 1 108 108 TYR HE1 H 1 6.554 0.030 . 1 . . . . 108 TYR HE1 . 11104 1 1297 . 1 1 108 108 TYR HE2 H 1 6.554 0.030 . 1 . . . . 108 TYR HE2 . 11104 1 1298 . 1 1 108 108 TYR C C 13 178.310 0.300 . 1 . . . . 108 TYR C . 11104 1 1299 . 1 1 108 108 TYR CA C 13 61.603 0.300 . 1 . . . . 108 TYR CA . 11104 1 1300 . 1 1 108 108 TYR CB C 13 39.563 0.300 . 1 . . . . 108 TYR CB . 11104 1 1301 . 1 1 108 108 TYR CD1 C 13 133.767 0.300 . 1 . . . . 108 TYR CD1 . 11104 1 1302 . 1 1 108 108 TYR CD2 C 13 133.767 0.300 . 1 . . . . 108 TYR CD2 . 11104 1 1303 . 1 1 108 108 TYR CE1 C 13 118.602 0.300 . 1 . . . . 108 TYR CE1 . 11104 1 1304 . 1 1 108 108 TYR CE2 C 13 118.602 0.300 . 1 . . . . 108 TYR CE2 . 11104 1 1305 . 1 1 108 108 TYR N N 15 121.086 0.300 . 1 . . . . 108 TYR N . 11104 1 1306 . 1 1 109 109 MET H H 1 8.691 0.030 . 1 . . . . 109 MET H . 11104 1 1307 . 1 1 109 109 MET HA H 1 4.651 0.030 . 1 . . . . 109 MET HA . 11104 1 1308 . 1 1 109 109 MET HB2 H 1 2.430 0.030 . 2 . . . . 109 MET HB2 . 11104 1 1309 . 1 1 109 109 MET HB3 H 1 1.821 0.030 . 2 . . . . 109 MET HB3 . 11104 1 1310 . 1 1 109 109 MET HE1 H 1 1.773 0.030 . 1 . . . . 109 MET HE . 11104 1 1311 . 1 1 109 109 MET HE2 H 1 1.773 0.030 . 1 . . . . 109 MET HE . 11104 1 1312 . 1 1 109 109 MET HE3 H 1 1.773 0.030 . 1 . . . . 109 MET HE . 11104 1 1313 . 1 1 109 109 MET HG2 H 1 3.069 0.030 . 2 . . . . 109 MET HG2 . 11104 1 1314 . 1 1 109 109 MET HG3 H 1 2.465 0.030 . 2 . . . . 109 MET HG3 . 11104 1 1315 . 1 1 109 109 MET C C 13 179.680 0.300 . 1 . . . . 109 MET C . 11104 1 1316 . 1 1 109 109 MET CA C 13 55.451 0.300 . 1 . . . . 109 MET CA . 11104 1 1317 . 1 1 109 109 MET CB C 13 28.570 0.300 . 1 . . . . 109 MET CB . 11104 1 1318 . 1 1 109 109 MET CE C 13 15.092 0.300 . 1 . . . . 109 MET CE . 11104 1 1319 . 1 1 109 109 MET CG C 13 32.356 0.300 . 1 . . . . 109 MET CG . 11104 1 1320 . 1 1 109 109 MET N N 15 116.145 0.300 . 1 . . . . 109 MET N . 11104 1 1321 . 1 1 110 110 ILE H H 1 8.480 0.030 . 1 . . . . 110 ILE H . 11104 1 1322 . 1 1 110 110 ILE HA H 1 3.438 0.030 . 1 . . . . 110 ILE HA . 11104 1 1323 . 1 1 110 110 ILE HB H 1 1.917 0.030 . 1 . . . . 110 ILE HB . 11104 1 1324 . 1 1 110 110 ILE HD11 H 1 0.833 0.030 . 1 . . . . 110 ILE HD1 . 11104 1 1325 . 1 1 110 110 ILE HD12 H 1 0.833 0.030 . 1 . . . . 110 ILE HD1 . 11104 1 1326 . 1 1 110 110 ILE HD13 H 1 0.833 0.030 . 1 . . . . 110 ILE HD1 . 11104 1 1327 . 1 1 110 110 ILE HG12 H 1 1.882 0.030 . 2 . . . . 110 ILE HG12 . 11104 1 1328 . 1 1 110 110 ILE HG13 H 1 0.687 0.030 . 2 . . . . 110 ILE HG13 . 11104 1 1329 . 1 1 110 110 ILE HG21 H 1 0.815 0.030 . 1 . . . . 110 ILE HG2 . 11104 1 1330 . 1 1 110 110 ILE HG22 H 1 0.815 0.030 . 1 . . . . 110 ILE HG2 . 11104 1 1331 . 1 1 110 110 ILE HG23 H 1 0.815 0.030 . 1 . . . . 110 ILE HG2 . 11104 1 1332 . 1 1 110 110 ILE C C 13 180.318 0.300 . 1 . . . . 110 ILE C . 11104 1 1333 . 1 1 110 110 ILE CA C 13 66.241 0.300 . 1 . . . . 110 ILE CA . 11104 1 1334 . 1 1 110 110 ILE CB C 13 37.790 0.300 . 1 . . . . 110 ILE CB . 11104 1 1335 . 1 1 110 110 ILE CD1 C 13 14.529 0.300 . 1 . . . . 110 ILE CD1 . 11104 1 1336 . 1 1 110 110 ILE CG1 C 13 29.693 0.300 . 1 . . . . 110 ILE CG1 . 11104 1 1337 . 1 1 110 110 ILE CG2 C 13 16.955 0.300 . 1 . . . . 110 ILE CG2 . 11104 1 1338 . 1 1 110 110 ILE N N 15 121.616 0.300 . 1 . . . . 110 ILE N . 11104 1 1339 . 1 1 111 111 GLU H H 1 7.987 0.030 . 1 . . . . 111 GLU H . 11104 1 1340 . 1 1 111 111 GLU HA H 1 3.961 0.030 . 1 . . . . 111 GLU HA . 11104 1 1341 . 1 1 111 111 GLU HB2 H 1 2.094 0.030 . 2 . . . . 111 GLU HB2 . 11104 1 1342 . 1 1 111 111 GLU HG2 H 1 2.256 0.030 . 2 . . . . 111 GLU HG2 . 11104 1 1343 . 1 1 111 111 GLU HG3 H 1 2.056 0.030 . 2 . . . . 111 GLU HG3 . 11104 1 1344 . 1 1 111 111 GLU C C 13 180.079 0.300 . 1 . . . . 111 GLU C . 11104 1 1345 . 1 1 111 111 GLU CA C 13 59.831 0.300 . 1 . . . . 111 GLU CA . 11104 1 1346 . 1 1 111 111 GLU CB C 13 28.999 0.300 . 1 . . . . 111 GLU CB . 11104 1 1347 . 1 1 111 111 GLU CG C 13 36.082 0.300 . 1 . . . . 111 GLU CG . 11104 1 1348 . 1 1 111 111 GLU N N 15 122.844 0.300 . 1 . . . . 111 GLU N . 11104 1 1349 . 1 1 112 112 GLN H H 1 8.544 0.030 . 1 . . . . 112 GLN H . 11104 1 1350 . 1 1 112 112 GLN HA H 1 3.665 0.030 . 1 . . . . 112 GLN HA . 11104 1 1351 . 1 1 112 112 GLN HB2 H 1 1.883 0.030 . 1 . . . . 112 GLN HB2 . 11104 1 1352 . 1 1 112 112 GLN HB3 H 1 1.883 0.030 . 1 . . . . 112 GLN HB3 . 11104 1 1353 . 1 1 112 112 GLN HE21 H 1 6.849 0.030 . 2 . . . . 112 GLN HE21 . 11104 1 1354 . 1 1 112 112 GLN HE22 H 1 6.707 0.030 . 2 . . . . 112 GLN HE22 . 11104 1 1355 . 1 1 112 112 GLN HG2 H 1 1.723 0.030 . 2 . . . . 112 GLN HG2 . 11104 1 1356 . 1 1 112 112 GLN HG3 H 1 1.888 0.030 . 2 . . . . 112 GLN HG3 . 11104 1 1357 . 1 1 112 112 GLN C C 13 178.026 0.300 . 1 . . . . 112 GLN C . 11104 1 1358 . 1 1 112 112 GLN CA C 13 57.228 0.300 . 1 . . . . 112 GLN CA . 11104 1 1359 . 1 1 112 112 GLN CB C 13 27.849 0.300 . 1 . . . . 112 GLN CB . 11104 1 1360 . 1 1 112 112 GLN CG C 13 33.815 0.300 . 1 . . . . 112 GLN CG . 11104 1 1361 . 1 1 112 112 GLN N N 15 117.315 0.300 . 1 . . . . 112 GLN N . 11104 1 1362 . 1 1 112 112 GLN NE2 N 15 115.996 0.300 . 1 . . . . 112 GLN NE2 . 11104 1 1363 . 1 1 113 113 SER H H 1 8.045 0.030 . 1 . . . . 113 SER H . 11104 1 1364 . 1 1 113 113 SER HA H 1 4.169 0.030 . 1 . . . . 113 SER HA . 11104 1 1365 . 1 1 113 113 SER HB2 H 1 4.046 0.030 . 2 . . . . 113 SER HB2 . 11104 1 1366 . 1 1 113 113 SER HB3 H 1 4.006 0.030 . 2 . . . . 113 SER HB3 . 11104 1 1367 . 1 1 113 113 SER C C 13 174.984 0.300 . 1 . . . . 113 SER C . 11104 1 1368 . 1 1 113 113 SER CA C 13 60.418 0.300 . 1 . . . . 113 SER CA . 11104 1 1369 . 1 1 113 113 SER CB C 13 63.474 0.300 . 1 . . . . 113 SER CB . 11104 1 1370 . 1 1 113 113 SER N N 15 114.676 0.300 . 1 . . . . 113 SER N . 11104 1 1371 . 1 1 114 114 GLY H H 1 7.551 0.030 . 1 . . . . 114 GLY H . 11104 1 1372 . 1 1 114 114 GLY HA2 H 1 4.131 0.030 . 2 . . . . 114 GLY HA2 . 11104 1 1373 . 1 1 114 114 GLY HA3 H 1 3.958 0.030 . 2 . . . . 114 GLY HA3 . 11104 1 1374 . 1 1 114 114 GLY C C 13 174.112 0.300 . 1 . . . . 114 GLY C . 11104 1 1375 . 1 1 114 114 GLY CA C 13 45.496 0.300 . 1 . . . . 114 GLY CA . 11104 1 1376 . 1 1 114 114 GLY N N 15 108.851 0.300 . 1 . . . . 114 GLY N . 11104 1 1377 . 1 1 115 115 SER H H 1 7.853 0.030 . 1 . . . . 115 SER H . 11104 1 1378 . 1 1 115 115 SER HA H 1 4.501 0.030 . 1 . . . . 115 SER HA . 11104 1 1379 . 1 1 115 115 SER HB2 H 1 3.813 0.030 . 1 . . . . 115 SER HB2 . 11104 1 1380 . 1 1 115 115 SER HB3 H 1 3.813 0.030 . 1 . . . . 115 SER HB3 . 11104 1 1381 . 1 1 115 115 SER C C 13 174.646 0.300 . 1 . . . . 115 SER C . 11104 1 1382 . 1 1 115 115 SER CA C 13 58.217 0.300 . 1 . . . . 115 SER CA . 11104 1 1383 . 1 1 115 115 SER CB C 13 64.073 0.300 . 1 . . . . 115 SER CB . 11104 1 1384 . 1 1 115 115 SER N N 15 115.106 0.300 . 1 . . . . 115 SER N . 11104 1 1385 . 1 1 116 116 GLY H H 1 8.301 0.030 . 1 . . . . 116 GLY H . 11104 1 1386 . 1 1 116 116 GLY HA2 H 1 4.092 0.030 . 2 . . . . 116 GLY HA2 . 11104 1 1387 . 1 1 116 116 GLY HA3 H 1 3.991 0.030 . 2 . . . . 116 GLY HA3 . 11104 1 1388 . 1 1 116 116 GLY C C 13 171.860 0.300 . 1 . . . . 116 GLY C . 11104 1 1389 . 1 1 116 116 GLY CA C 13 44.727 0.300 . 1 . . . . 116 GLY CA . 11104 1 1390 . 1 1 116 116 GLY N N 15 110.638 0.300 . 1 . . . . 116 GLY N . 11104 1 1391 . 1 1 117 117 PRO HA H 1 4.422 0.030 . 1 . . . . 117 PRO HA . 11104 1 1392 . 1 1 117 117 PRO HB2 H 1 2.246 0.030 . 2 . . . . 117 PRO HB2 . 11104 1 1393 . 1 1 117 117 PRO HB3 H 1 1.963 0.030 . 2 . . . . 117 PRO HB3 . 11104 1 1394 . 1 1 117 117 PRO HD2 H 1 3.576 0.030 . 2 . . . . 117 PRO HD2 . 11104 1 1395 . 1 1 117 117 PRO HD3 H 1 3.549 0.030 . 2 . . . . 117 PRO HD3 . 11104 1 1396 . 1 1 117 117 PRO HG2 H 1 1.993 0.030 . 1 . . . . 117 PRO HG2 . 11104 1 1397 . 1 1 117 117 PRO HG3 H 1 1.993 0.030 . 1 . . . . 117 PRO HG3 . 11104 1 1398 . 1 1 117 117 PRO C C 13 177.369 0.300 . 1 . . . . 117 PRO C . 11104 1 1399 . 1 1 117 117 PRO CA C 13 63.259 0.300 . 1 . . . . 117 PRO CA . 11104 1 1400 . 1 1 117 117 PRO CB C 13 32.198 0.300 . 1 . . . . 117 PRO CB . 11104 1 1401 . 1 1 117 117 PRO CD C 13 49.773 0.300 . 1 . . . . 117 PRO CD . 11104 1 1402 . 1 1 117 117 PRO CG C 13 27.237 0.300 . 1 . . . . 117 PRO CG . 11104 1 1403 . 1 1 118 118 SER H H 1 8.489 0.030 . 1 . . . . 118 SER H . 11104 1 1404 . 1 1 118 118 SER HA H 1 4.469 0.030 . 1 . . . . 118 SER HA . 11104 1 1405 . 1 1 118 118 SER HB2 H 1 3.892 0.030 . 2 . . . . 118 SER HB2 . 11104 1 1406 . 1 1 118 118 SER C C 13 174.738 0.300 . 1 . . . . 118 SER C . 11104 1 1407 . 1 1 118 118 SER CA C 13 58.401 0.300 . 1 . . . . 118 SER CA . 11104 1 1408 . 1 1 118 118 SER CB C 13 63.863 0.300 . 1 . . . . 118 SER CB . 11104 1 1409 . 1 1 118 118 SER N N 15 116.228 0.300 . 1 . . . . 118 SER N . 11104 1 1410 . 1 1 119 119 SER H H 1 8.327 0.030 . 1 . . . . 119 SER H . 11104 1 1411 . 1 1 119 119 SER HA H 1 4.489 0.030 . 1 . . . . 119 SER HA . 11104 1 1412 . 1 1 119 119 SER C C 13 173.928 0.300 . 1 . . . . 119 SER C . 11104 1 1413 . 1 1 119 119 SER CA C 13 58.416 0.300 . 1 . . . . 119 SER CA . 11104 1 1414 . 1 1 119 119 SER CB C 13 64.029 0.300 . 1 . . . . 119 SER CB . 11104 1 1415 . 1 1 119 119 SER N N 15 117.924 0.300 . 1 . . . . 119 SER N . 11104 1 1416 . 1 1 120 120 GLY H H 1 8.053 0.030 . 1 . . . . 120 GLY H . 11104 1 1417 . 1 1 120 120 GLY HA2 H 1 3.766 0.030 . 1 . . . . 120 GLY HA2 . 11104 1 1418 . 1 1 120 120 GLY HA3 H 1 3.766 0.030 . 1 . . . . 120 GLY HA3 . 11104 1 1419 . 1 1 120 120 GLY C C 13 179.037 0.300 . 1 . . . . 120 GLY C . 11104 1 1420 . 1 1 120 120 GLY CA C 13 46.208 0.300 . 1 . . . . 120 GLY CA . 11104 1 1421 . 1 1 120 120 GLY N N 15 116.871 0.300 . 1 . . . . 120 GLY N . 11104 1 stop_ save_