data_15433 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15433 _Entry.Title ; Solution-State Structures of Oleate-Liganded LFABP, Protein Only ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-08-15 _Entry.Accession_date 2007-08-15 _Entry.Last_release_date 2007-08-17 _Entry.Original_release_date 2007-08-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; The structures are that of the fully oleate-liganded LFABP (protein-ligand ratio 1:2). However, they are drived from information pertaining protein alone. A major form of the complex coordinates is deposited separately. ; _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.ORCID _Entry_author.Entry_ID 1 Yan He . . . . 15433 2 Xiaomin Yang . . . . 15433 3 Hsin Wang . . . . 15433 4 Rima Estephan . . . . 15433 5 Fouad Francis . . . . 15433 6 Sarala Kodukula . . . . 15433 7 Judith Storch . . . . 15433 8 Ruth Stark . E. . . 15433 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 1 'not applicable' 'not applicable' . 15433 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Chemistry, City Univeristy of New York - College of Staten Island' . 15433 2 . 'Department of Nutritional Sciences, Rutgers Univeristy' . 15433 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FABP . 15433 LFABP . 15433 apo . 15433 iLBP . 15433 protein . 15433 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15433 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 608 15433 '15N chemical shifts' 135 15433 '1H chemical shifts' 862 15433 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 . . 2008-06-18 . original BMRB . 15433 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15429 'Solution-State Structures of apo-LFABP (Liver Fatty Acid-Binding Protein)' 15433 BMRB 4098 'resonance assignments and secondary structure' 15433 PDB 2JU7 'BMRB Entry Tracking System' 15433 PDB 2ju3 'Solution-State Structures of apo-LFABP (Liver Fatty Acid-Binding Protein)' 15433 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15433 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17927211 _Citation.Full_citation . _Citation.Title ; Solution-state molecular structure of apo and oleate-liganded liver fatty acid-binding protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 44 _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 12543 _Citation.Page_last 12556 _Citation.Year 2007 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yan He . . . . 15433 1 2 Xiaomin Yang . . . . 15433 1 3 Hsin Wang . . . . 15433 1 4 Rima Estephan . . . . 15433 1 5 Fouad Francis . . . . 15433 1 6 Sarala Kodukula . . . . 15433 1 7 Judith Storch . . . . 15433 1 8 Ruth Stark . E. . . 15433 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID LFABP 15433 1 NMR 15433 1 iLBP 15433 1 oleate 15433 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15433 _Assembly.ID 1 _Assembly.Name holoLFABP _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14273 _Assembly.Enzyme_commission_number . _Assembly.Details ; This entry contains information derived from protein alone in the presence of 3 equivalents of ligands. Two ligands were identified in the protein cavity. ; _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 LFABP 1 $LFABP A . yes native no no . protein 'Protein is in slow exchange with ligands. Only bound state is observed.' 15433 1 2 oleate 2 $OLA B . no native no no . ligand 'Kd was reported to be 70 nM.' 15433 1 3 oleate 2 $OLA B . no native no no . ligand 'Kd was reported to be 9 nM' 15433 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 BMRB 15429 . . 'solution NMR' . apo-LFABP . 15433 1 yes PDB 1lfo . . X-ray 2.3 oleate-liganded . 15433 1 yes PDB 2ju3 . . 'solution NMR' . apo-LFABP . 15433 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 2 3 'Slow exchange' 15433 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'facilitate intracellular lipid transport' 15433 1 'facilitate lipid uptake and metabolic regulation' 15433 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LFABP _Entity.Sf_category entity _Entity.Sf_framecode LFABP _Entity.Entry_ID 15433 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LFABP _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 ; MNFSGKYQVQSQENFEPFMK AMGLPEDLIQKGKDIKGVSE IVHEGKKVKLTITYGSKVIH NEFTLGEECELETMTGEKVK AVVKMEGDNKMVTTFKGIKS VTEFNGDTITNTMTLGDIVY KRVSKRI ; _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 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14295.663 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes SWS P02692 . FABPL_RAT . . . . . . . . . . . . . . 15433 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'facilitate intracellular lipid transport' 15433 1 'facilitate lipid uptake and metabolic regulation' 15433 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 . MET . 15433 1 2 . ASN . 15433 1 3 . PHE . 15433 1 4 . SER . 15433 1 5 . GLY . 15433 1 6 . LYS . 15433 1 7 . TYR . 15433 1 8 . GLN . 15433 1 9 . VAL . 15433 1 10 . GLN . 15433 1 11 . SER . 15433 1 12 . GLN . 15433 1 13 . GLU . 15433 1 14 . ASN . 15433 1 15 . PHE . 15433 1 16 . GLU . 15433 1 17 . PRO . 15433 1 18 . PHE . 15433 1 19 . MET . 15433 1 20 . LYS . 15433 1 21 . ALA . 15433 1 22 . MET . 15433 1 23 . GLY . 15433 1 24 . LEU . 15433 1 25 . PRO . 15433 1 26 . GLU . 15433 1 27 . ASP . 15433 1 28 . LEU . 15433 1 29 . ILE . 15433 1 30 . GLN . 15433 1 31 . LYS . 15433 1 32 . GLY . 15433 1 33 . LYS . 15433 1 34 . ASP . 15433 1 35 . ILE . 15433 1 36 . LYS . 15433 1 37 . GLY . 15433 1 38 . VAL . 15433 1 39 . SER . 15433 1 40 . GLU . 15433 1 41 . ILE . 15433 1 42 . VAL . 15433 1 43 . HIS . 15433 1 44 . GLU . 15433 1 45 . GLY . 15433 1 46 . LYS . 15433 1 47 . LYS . 15433 1 48 . VAL . 15433 1 49 . LYS . 15433 1 50 . LEU . 15433 1 51 . THR . 15433 1 52 . ILE . 15433 1 53 . THR . 15433 1 54 . TYR . 15433 1 55 . GLY . 15433 1 56 . SER . 15433 1 57 . LYS . 15433 1 58 . VAL . 15433 1 59 . ILE . 15433 1 60 . HIS . 15433 1 61 . ASN . 15433 1 62 . GLU . 15433 1 63 . PHE . 15433 1 64 . THR . 15433 1 65 . LEU . 15433 1 66 . GLY . 15433 1 67 . GLU . 15433 1 68 . GLU . 15433 1 69 . CYS . 15433 1 70 . GLU . 15433 1 71 . LEU . 15433 1 72 . GLU . 15433 1 73 . THR . 15433 1 74 . MET . 15433 1 75 . THR . 15433 1 76 . GLY . 15433 1 77 . GLU . 15433 1 78 . LYS . 15433 1 79 . VAL . 15433 1 80 . LYS . 15433 1 81 . ALA . 15433 1 82 . VAL . 15433 1 83 . VAL . 15433 1 84 . LYS . 15433 1 85 . MET . 15433 1 86 . GLU . 15433 1 87 . GLY . 15433 1 88 . ASP . 15433 1 89 . ASN . 15433 1 90 . LYS . 15433 1 91 . MET . 15433 1 92 . VAL . 15433 1 93 . THR . 15433 1 94 . THR . 15433 1 95 . PHE . 15433 1 96 . LYS . 15433 1 97 . GLY . 15433 1 98 . ILE . 15433 1 99 . LYS . 15433 1 100 . SER . 15433 1 101 . VAL . 15433 1 102 . THR . 15433 1 103 . GLU . 15433 1 104 . PHE . 15433 1 105 . ASN . 15433 1 106 . GLY . 15433 1 107 . ASP . 15433 1 108 . THR . 15433 1 109 . ILE . 15433 1 110 . THR . 15433 1 111 . ASN . 15433 1 112 . THR . 15433 1 113 . MET . 15433 1 114 . THR . 15433 1 115 . LEU . 15433 1 116 . GLY . 15433 1 117 . ASP . 15433 1 118 . ILE . 15433 1 119 . VAL . 15433 1 120 . TYR . 15433 1 121 . LYS . 15433 1 122 . ARG . 15433 1 123 . VAL . 15433 1 124 . SER . 15433 1 125 . LYS . 15433 1 126 . ARG . 15433 1 127 . ILE . 15433 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 . MET 1 1 15433 1 . ASN 2 2 15433 1 . PHE 3 3 15433 1 . SER 4 4 15433 1 . GLY 5 5 15433 1 . LYS 6 6 15433 1 . TYR 7 7 15433 1 . GLN 8 8 15433 1 . VAL 9 9 15433 1 . GLN 10 10 15433 1 . SER 11 11 15433 1 . GLN 12 12 15433 1 . GLU 13 13 15433 1 . ASN 14 14 15433 1 . PHE 15 15 15433 1 . GLU 16 16 15433 1 . PRO 17 17 15433 1 . PHE 18 18 15433 1 . MET 19 19 15433 1 . LYS 20 20 15433 1 . ALA 21 21 15433 1 . MET 22 22 15433 1 . GLY 23 23 15433 1 . LEU 24 24 15433 1 . PRO 25 25 15433 1 . GLU 26 26 15433 1 . ASP 27 27 15433 1 . LEU 28 28 15433 1 . ILE 29 29 15433 1 . GLN 30 30 15433 1 . LYS 31 31 15433 1 . GLY 32 32 15433 1 . LYS 33 33 15433 1 . ASP 34 34 15433 1 . ILE 35 35 15433 1 . LYS 36 36 15433 1 . GLY 37 37 15433 1 . VAL 38 38 15433 1 . SER 39 39 15433 1 . GLU 40 40 15433 1 . ILE 41 41 15433 1 . VAL 42 42 15433 1 . HIS 43 43 15433 1 . GLU 44 44 15433 1 . GLY 45 45 15433 1 . LYS 46 46 15433 1 . LYS 47 47 15433 1 . VAL 48 48 15433 1 . LYS 49 49 15433 1 . LEU 50 50 15433 1 . THR 51 51 15433 1 . ILE 52 52 15433 1 . THR 53 53 15433 1 . TYR 54 54 15433 1 . GLY 55 55 15433 1 . SER 56 56 15433 1 . LYS 57 57 15433 1 . VAL 58 58 15433 1 . ILE 59 59 15433 1 . HIS 60 60 15433 1 . ASN 61 61 15433 1 . GLU 62 62 15433 1 . PHE 63 63 15433 1 . THR 64 64 15433 1 . LEU 65 65 15433 1 . GLY 66 66 15433 1 . GLU 67 67 15433 1 . GLU 68 68 15433 1 . CYS 69 69 15433 1 . GLU 70 70 15433 1 . LEU 71 71 15433 1 . GLU 72 72 15433 1 . THR 73 73 15433 1 . MET 74 74 15433 1 . THR 75 75 15433 1 . GLY 76 76 15433 1 . GLU 77 77 15433 1 . LYS 78 78 15433 1 . VAL 79 79 15433 1 . LYS 80 80 15433 1 . ALA 81 81 15433 1 . VAL 82 82 15433 1 . VAL 83 83 15433 1 . LYS 84 84 15433 1 . MET 85 85 15433 1 . GLU 86 86 15433 1 . GLY 87 87 15433 1 . ASP 88 88 15433 1 . ASN 89 89 15433 1 . LYS 90 90 15433 1 . MET 91 91 15433 1 . VAL 92 92 15433 1 . THR 93 93 15433 1 . THR 94 94 15433 1 . PHE 95 95 15433 1 . LYS 96 96 15433 1 . GLY 97 97 15433 1 . ILE 98 98 15433 1 . LYS 99 99 15433 1 . SER 100 100 15433 1 . VAL 101 101 15433 1 . THR 102 102 15433 1 . GLU 103 103 15433 1 . PHE 104 104 15433 1 . ASN 105 105 15433 1 . GLY 106 106 15433 1 . ASP 107 107 15433 1 . THR 108 108 15433 1 . ILE 109 109 15433 1 . THR 110 110 15433 1 . ASN 111 111 15433 1 . THR 112 112 15433 1 . MET 113 113 15433 1 . THR 114 114 15433 1 . LEU 115 115 15433 1 . GLY 116 116 15433 1 . ASP 117 117 15433 1 . ILE 118 118 15433 1 . VAL 119 119 15433 1 . TYR 120 120 15433 1 . LYS 121 121 15433 1 . ARG 122 122 15433 1 . VAL 123 123 15433 1 . SER 124 124 15433 1 . LYS 125 125 15433 1 . ARG 126 126 15433 1 . ILE 127 127 15433 1 stop_ save_ save_OLA _Entity.Sf_category entity _Entity.Sf_framecode OLA _Entity.Entry_ID 15433 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name OLA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID OLA _Entity.Nonpolymer_comp_label $chem_comp_OLA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . OLA . 15433 2 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 15433 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $LFABP . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 15433 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 15433 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $LFABP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) pLys . . . . pET-11a . . . 15433 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_OLA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_OLA _Chem_comp.Entry_ID 15433 _Chem_comp.ID OLA _Chem_comp.Provenance PDB _Chem_comp.Name 'OLEIC ACID' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code OLA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces OLI _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code OLA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C18 H34 O2' _Chem_comp.Formula_weight 282.461 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1HMS _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 12 11:59:11 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCCCCCCCC=CCCCCCCCC(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 15433 OLA CCCCCCCCC=CCCCCCCCC(O)=O SMILES CACTVS 3.341 15433 OLA CCCCCCCC\C=C/CCCCCCCC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15433 OLA CCCCCCCC\C=C/CCCCCCCC(O)=O SMILES_CANONICAL CACTVS 3.341 15433 OLA InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- InChI InChI 1.03 15433 OLA O=C(O)CCCCCCC\C=C/CCCCCCCC SMILES ACDLabs 10.04 15433 OLA ZQPPMHVWECSIRJ-KTKRTIGZSA-N InChIKey InChI 1.03 15433 OLA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(9Z)-octadec-9-enoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 15433 OLA '(Z)-octadec-9-enoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15433 OLA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . N 0 . . . . no no . . . . 19.030 . 33.338 . 52.492 . 1.422 -0.175 -8.205 1 . 15433 OLA O1 . O1 . . O . . N 0 . . . . no no . . . . 19.014 . 34.416 . 51.910 . 0.409 -0.728 -8.561 2 . 15433 OLA O2 . O2 . . O . . N 0 . . . . no no . . . . 18.321 . 32.334 . 52.411 . 2.421 0.023 -9.080 3 . 15433 OLA C2 . C2 . . C . . N 0 . . . . no no . . . . 20.002 . 33.266 . 53.577 . 1.566 0.290 -6.779 4 . 15433 OLA C3 . C3 . . C . . N 0 . . . . no no . . . . 20.600 . 34.503 . 54.125 . 0.296 -0.056 -5.999 5 . 15433 OLA C4 . C4 . . C . . N 0 . . . . no no . . . . 21.803 . 34.275 . 55.060 . 0.441 0.416 -4.551 6 . 15433 OLA C5 . C5 . . C . . N 0 . . . . no no . . . . 22.341 . 35.602 . 55.561 . -0.827 0.070 -3.771 7 . 15433 OLA C6 . C6 . . C . . N 0 . . . . no no . . . . 23.569 . 35.534 . 56.400 . -0.682 0.543 -2.324 8 . 15433 OLA C7 . C7 . . C . . N 0 . . . . no no . . . . 23.537 . 34.531 . 57.514 . -1.951 0.196 -1.544 9 . 15433 OLA C8 . C8 . . C . . N 0 . . . . no no . . . . 22.693 . 35.032 . 58.687 . -1.806 0.669 -0.096 10 . 15433 OLA C9 . C9 . . C . . N 0 . . . . no no . . . . 22.642 . 34.052 . 59.804 . -3.056 0.328 0.672 11 . 15433 OLA C10 . C10 . . C . . N 0 . . . . no no . . . . 21.721 . 34.138 . 60.860 . -2.973 -0.342 1.794 12 . 15433 OLA C11 . C11 . . C . . N 0 . . . . no no . . . . 20.778 . 35.236 . 61.059 . -1.624 -0.636 2.398 13 . 15433 OLA C12 . C12 . . C . . N 0 . . . . no no . . . . 19.336 . 34.993 . 60.903 . -1.604 -0.169 3.854 14 . 15433 OLA C13 . C13 . . C . . N 0 . . . . no no . . . . 18.923 . 34.610 . 59.496 . -0.235 -0.467 4.467 15 . 15433 OLA C14 . C14 . . C . . N 0 . . . . no no . . . . 17.506 . 34.084 . 59.484 . -0.215 0.000 5.924 16 . 15433 OLA C15 . C15 . . C . . N 0 . . . . no no . . . . 16.731 . 34.508 . 58.278 . 1.154 -0.297 6.537 17 . 15433 OLA C16 . C16 . . C . . N 0 . . . . no no . . . . 17.327 . 35.668 . 57.566 . 1.173 0.169 7.994 18 . 15433 OLA C17 . C17 . . C . . N 0 . . . . no no . . . . 16.304 . 36.426 . 56.732 . 2.543 -0.128 8.607 19 . 15433 OLA C18 . C18 . . C . . N 0 . . . . no no . . . . 16.728 . 37.892 . 56.648 . 2.562 0.338 10.064 20 . 15433 OLA HO2 . HO2 . . H . . N 0 . . . . no no . . . . 18.333 . 31.498 . 52.862 . 2.329 -0.275 -9.995 21 . 15433 OLA H21 . H21 . . H . . N 0 . . . . no no . . . . 19.546 . 32.693 . 54.418 . 1.718 1.369 -6.763 22 . 15433 OLA H22 . H22 . . H . . N 0 . . . . no no . . . . 20.828 . 32.585 . 53.263 . 2.421 -0.204 -6.319 23 . 15433 OLA H31 . H31 . . H . . N 0 . . . . no no . . . . 20.878 . 35.197 . 53.298 . 0.143 -1.135 -6.015 24 . 15433 OLA H32 . H32 . . H . . N 0 . . . . no no . . . . 19.821 . 35.115 . 54.637 . -0.559 0.438 -6.459 25 . 15433 OLA H41 . H41 . . H . . N 0 . . . . no no . . . . 21.552 . 33.584 . 55.899 . 0.594 1.496 -4.536 26 . 15433 OLA H42 . H42 . . H . . N 0 . . . . no no . . . . 22.597 . 33.661 . 54.573 . 1.297 -0.077 -4.092 27 . 15433 OLA H51 . H51 . . H . . N 0 . . . . no no . . . . 22.508 . 36.291 . 54.700 . -0.980 -1.009 -3.787 28 . 15433 OLA H52 . H52 . . H . . N 0 . . . . no no . . . . 21.540 . 36.153 . 56.106 . -1.683 0.564 -4.231 29 . 15433 OLA H61 . H61 . . H . . N 0 . . . . no no . . . . 24.461 . 35.359 . 55.755 . -0.529 1.622 -2.308 30 . 15433 OLA H62 . H62 . . H . . N 0 . . . . no no . . . . 23.811 . 36.544 . 56.803 . 0.173 0.048 -1.864 31 . 15433 OLA H71 . H71 . . H . . N 0 . . . . no no . . . . 23.190 . 33.533 . 57.156 . -2.104 -0.882 -1.559 32 . 15433 OLA H72 . H72 . . H . . N 0 . . . . no no . . . . 24.565 . 34.248 . 57.840 . -2.807 0.691 -2.003 33 . 15433 OLA H81 . H81 . . H . . N 0 . . . . no no . . . . 23.046 . 36.028 . 59.041 . -1.653 1.748 -0.080 34 . 15433 OLA H82 . H82 . . H . . N 0 . . . . no no . . . . 21.667 . 35.315 . 58.353 . -0.950 0.175 0.363 35 . 15433 OLA H9 . H9 . . H . . N 0 . . . . no no . . . . 23.338 . 33.198 . 59.852 . -4.021 0.635 0.297 36 . 15433 OLA H10 . H10 . . H . . N 0 . . . . no no . . . . 21.739 . 33.296 . 61.572 . -3.871 -0.685 2.286 37 . 15433 OLA H111 . H111 . . H . . N 0 . . . . no no . . . . 20.956 . 35.679 . 62.066 . -0.852 -0.109 1.837 38 . 15433 OLA H112 . H112 . . H . . N 0 . . . . no no . . . . 21.070 . 36.080 . 60.391 . -1.433 -1.708 2.357 39 . 15433 OLA H121 . H121 . . H . . N 0 . . . . no no . . . . 18.986 . 34.227 . 61.635 . -2.376 -0.696 4.415 40 . 15433 OLA H122 . H122 . . H . . N 0 . . . . no no . . . . 18.750 . 35.873 . 61.256 . -1.795 0.903 3.894 41 . 15433 OLA H131 . H131 . . H . . N 0 . . . . no no . . . . 19.057 . 35.454 . 58.780 . 0.536 0.060 3.906 42 . 15433 OLA H132 . H132 . . H . . N 0 . . . . no no . . . . 19.637 . 33.887 . 59.036 . -0.044 -1.539 4.427 43 . 15433 OLA H141 . H141 . . H . . N 0 . . . . no no . . . . 17.493 . 32.974 . 59.593 . -0.987 -0.527 6.485 44 . 15433 OLA H142 . H142 . . H . . N 0 . . . . no no . . . . 16.969 . 34.366 . 60.419 . -0.406 1.072 5.964 45 . 15433 OLA H151 . H151 . . H . . N 0 . . . . no no . . . . 16.585 . 33.649 . 57.581 . 1.925 0.229 5.976 46 . 15433 OLA H152 . H152 . . H . . N 0 . . . . no no . . . . 15.667 . 34.712 . 58.544 . 1.344 -1.370 6.497 47 . 15433 OLA H161 . H161 . . H . . N 0 . . . . no no . . . . 17.850 . 36.349 . 58.276 . 0.401 -0.357 8.555 48 . 15433 OLA H162 . H162 . . H . . N 0 . . . . no no . . . . 18.198 . 35.353 . 56.945 . 0.983 1.241 8.034 49 . 15433 OLA H171 . H171 . . H . . N 0 . . . . no no . . . . 16.150 . 35.968 . 55.726 . 3.314 0.398 8.046 50 . 15433 OLA H172 . H172 . . H . . N 0 . . . . no no . . . . 15.265 . 36.304 . 57.117 . 2.733 -1.201 8.567 51 . 15433 OLA H181 . H181 . . H . . N 0 . . . . no no . . . . 15.978 . 38.447 . 56.037 . 3.538 0.126 10.500 52 . 15433 OLA H182 . H182 . . H . . N 0 . . . . no no . . . . 16.881 . 38.349 . 57.653 . 2.372 1.411 10.104 53 . 15433 OLA H183 . H183 . . H . . N 0 . . . . no no . . . . 17.767 . 38.013 . 56.262 . 1.791 -0.188 10.625 54 . 15433 OLA stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 O1 no N 1 . 15433 OLA 2 . SING C1 O2 no N 2 . 15433 OLA 3 . SING C1 C2 no N 3 . 15433 OLA 4 . SING O2 HO2 no N 4 . 15433 OLA 5 . SING C2 C3 no N 5 . 15433 OLA 6 . SING C2 H21 no N 6 . 15433 OLA 7 . SING C2 H22 no N 7 . 15433 OLA 8 . SING C3 C4 no N 8 . 15433 OLA 9 . SING C3 H31 no N 9 . 15433 OLA 10 . SING C3 H32 no N 10 . 15433 OLA 11 . SING C4 C5 no N 11 . 15433 OLA 12 . SING C4 H41 no N 12 . 15433 OLA 13 . SING C4 H42 no N 13 . 15433 OLA 14 . SING C5 C6 no N 14 . 15433 OLA 15 . SING C5 H51 no N 15 . 15433 OLA 16 . SING C5 H52 no N 16 . 15433 OLA 17 . SING C6 C7 no N 17 . 15433 OLA 18 . SING C6 H61 no N 18 . 15433 OLA 19 . SING C6 H62 no N 19 . 15433 OLA 20 . SING C7 C8 no N 20 . 15433 OLA 21 . SING C7 H71 no N 21 . 15433 OLA 22 . SING C7 H72 no N 22 . 15433 OLA 23 . SING C8 C9 no N 23 . 15433 OLA 24 . SING C8 H81 no N 24 . 15433 OLA 25 . SING C8 H82 no N 25 . 15433 OLA 26 . DOUB C9 C10 no Z 26 . 15433 OLA 27 . SING C9 H9 no N 27 . 15433 OLA 28 . SING C10 C11 no N 28 . 15433 OLA 29 . SING C10 H10 no N 29 . 15433 OLA 30 . SING C11 C12 no N 30 . 15433 OLA 31 . SING C11 H111 no N 31 . 15433 OLA 32 . SING C11 H112 no N 32 . 15433 OLA 33 . SING C12 C13 no N 33 . 15433 OLA 34 . SING C12 H121 no N 34 . 15433 OLA 35 . SING C12 H122 no N 35 . 15433 OLA 36 . SING C13 C14 no N 36 . 15433 OLA 37 . SING C13 H131 no N 37 . 15433 OLA 38 . SING C13 H132 no N 38 . 15433 OLA 39 . SING C14 C15 no N 39 . 15433 OLA 40 . SING C14 H141 no N 40 . 15433 OLA 41 . SING C14 H142 no N 41 . 15433 OLA 42 . SING C15 C16 no N 42 . 15433 OLA 43 . SING C15 H151 no N 43 . 15433 OLA 44 . SING C15 H152 no N 44 . 15433 OLA 45 . SING C16 C17 no N 45 . 15433 OLA 46 . SING C16 H161 no N 46 . 15433 OLA 47 . SING C16 H162 no N 47 . 15433 OLA 48 . SING C17 C18 no N 48 . 15433 OLA 49 . SING C17 H171 no N 49 . 15433 OLA 50 . SING C17 H172 no N 50 . 15433 OLA 51 . SING C18 H181 no N 51 . 15433 OLA 52 . SING C18 H182 no N 52 . 15433 OLA 53 . SING C18 H183 no N 53 . 15433 OLA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15433 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'U-13C, 15N-LFABP with 3 equivalents of unlabeled-oleate to LFABP, pH7' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 LFABP '[U-99% 13C; U-99% 15N]' . . 1 $LFABP . . . 0.7 1.0 mM . . . . 15433 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15433 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15433 1 4 EDTA 'natural abundance' . . . . . . 5 . . uM . . . . 15433 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15433 1 6 oleate 'natural abundance' . . . . . . 3 . . eq . . . . 15433 1 7 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15433 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15433 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'U-13C, 15N-LFABP with 3 equivalents of unlabeled oleate to LFABP, pD7' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 LFABP '[U-99% 13C; U-99% 15N]' . . 1 $LFABP . . . 0.7 1.0 mM . . . . 15433 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15433 2 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15433 2 4 EDTA 'natural abundance' . . . . . . 5 . . uM . . . . 15433 2 5 D2O 'natural abundance' . . . . . . 98 . . % . . . . 15433 2 6 oleate 'natural abundance' . . . . . . 3 . . eq . . . . 15433 2 7 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15433 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15433 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'U-N15-LFABP with 3 equivalents of U-13C-oleate, pH7' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 LFABP '[U-99% 15N]' . . 1 $LFABP . . . 0.5 1.3 mM . . . . 15433 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15433 3 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15433 3 4 EDTA 'natural abundance' . . . . . . 5 . . uM . . . . 15433 3 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15433 3 6 oleate '[U-99% 13C]' . . . . . . 3 . . eq . . . . 15433 3 7 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15433 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15433 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'N15-LFABP with 3 equivalents of U-13C-oleate in the C12/E5 alignment medium' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 LFABP '[U-99% 15N]' . . 1 $LFABP . . 0.3 . . mM . . . . 15433 4 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15433 4 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15433 4 4 EDTA 'natural abundance' . . . . . . 5 . . uM . . . . 15433 4 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15433 4 6 C12E5 'natural abundance' . . . . . . 5 . . % . . . . 15433 4 7 oleate '[U-99% 13C]' . . . . . . 3 . . eq . . . . 15433 4 8 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15433 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15433 _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' 0.15 . M 15433 1 pH 7 . pH 15433 1 pressure 1 . atm 15433 1 temperature 303 . K 15433 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 15433 _Sample_condition_list.ID 2 _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' 0.15 . M 15433 2 pD 7 . pH 15433 2 pressure 1 . atm 15433 2 temperature 303 . K 15433 2 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 15433 _Software.ID 1 _Software.Name ARIA _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 15433 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15433 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15433 _Software.ID 2 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15433 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15433 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15433 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15433 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15433 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15433 _Software.ID 4 _Software.Name NMRView _Software.Version 5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15433 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15433 4 'data analysis' 15433 4 'peak picking' 15433 4 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15433 _Software.ID 5 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15433 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15433 5 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 15433 _Software.ID 6 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 15433 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15433 6 'graphic display' 15433 6 stop_ save_ save_Procheck _Software.Sf_category software _Software.Sf_framecode Procheck _Software.Entry_ID 15433 _Software.ID 7 _Software.Name Procheck _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Th' . . 15433 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure analysis' 15433 7 stop_ save_ save_CSI _Software.Sf_category software _Software.Sf_framecode CSI _Software.Entry_ID 15433 _Software.ID 8 _Software.Name CSI _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Wishart, Sykes' . . 15433 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15433 8 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 15433 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 15433 _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 Varian INOVA . 600 . . . 15433 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 15433 _Experiment_list.ID 1 _Experiment_list.Details 'RDC data from sample 4 are not used (and hence not reported) because the medium (C12E5) competes with LFABP for oleate' 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 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15433 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15433 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15433 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15433 1 5 '4D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15433 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15433 1 7 '4D 1H-13C-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15433 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15433 1 9 '3D HNHA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15433 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15433 1 11 '3D H(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15433 1 12 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15433 1 13 '3D CBCACOHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15433 1 14 '2D (HB)CB(CD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15433 1 15 '2D (HB)CB(CDCE)HE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15433 1 16 '2D CG(CB)HB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15433 1 17 '2D CG(CD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15433 1 18 '2D CG(CDCE)HE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15433 1 19 '3D CT-HMQC-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15433 1 20 '2D hisHCN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15433 1 21 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15433 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15433 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . 15433 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 15433 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 15433 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15433 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 '2D 1H-15N HSQC' . . . 15433 1 2 '3D CBCA(CO)NH' . . . 15433 1 3 '3D HNCACB' . . . 15433 1 4 '3D HCCH-TOCSY' . . . 15433 1 5 '2D 1H-15N HSQC' . . . 15433 1 6 '3D C(CO)NH' . . . 15433 1 7 '3D H(CO)NH' . . . 15433 1 8 '3D HNCO' . . . 15433 1 9 '3D CBCACOHA' . . . 15433 1 10 '2D (HB)CB(CD)HD' . . . 15433 1 11 '2D (HB)CB(CDCE)HE' . . . 15433 1 12 '2D CG(CB)HB' . . . 15433 1 13 '2D CG(CD)HD' . . . 15433 1 14 '2D CG(CDCE)HE' . . . 15433 1 15 '3D CT-HMQC-COSY' . . . 15433 1 16 '2D hisHCN' . . . 15433 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 3 $NMRPipe . . 15433 1 4 $NMRView . . 15433 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 2 2 ASN HA H 1 4.760 . . 1 . . . . 2 ASN HA . 15433 1 2 . 1 1 2 2 ASN HB2 H 1 2.540 . . 1 . . . . 2 ASN HB1 . 15433 1 3 . 1 1 2 2 ASN HB3 H 1 2.800 . . 1 . . . . 2 ASN HB2 . 15433 1 4 . 1 1 2 2 ASN HD21 H 1 7.550 . . 1 . . . . 2 ASN HD21 . 15433 1 5 . 1 1 2 2 ASN HD22 H 1 7.070 . . 1 . . . . 2 ASN HD22 . 15433 1 6 . 1 1 2 2 ASN C C 13 176.100 . . 1 . . . . 2 ASN C . 15433 1 7 . 1 1 2 2 ASN CA C 13 52.200 . . 1 . . . . 2 ASN CA . 15433 1 8 . 1 1 2 2 ASN CB C 13 40.500 . . 1 . . . . 2 ASN CB . 15433 1 9 . 1 1 2 2 ASN CG C 13 177.600 . . 1 . . . . 2 ASN CG . 15433 1 10 . 1 1 2 2 ASN ND2 N 15 116.600 . . 1 . . . . 2 ASN ND2 . 15433 1 11 . 1 1 3 3 PHE H H 1 11.284 . . 1 . . . . 3 PHE HN . 15433 1 12 . 1 1 3 3 PHE HA H 1 4.510 . . 1 . . . . 3 PHE HA . 15433 1 13 . 1 1 3 3 PHE HB2 H 1 2.210 . . 1 . . . . 3 PHE HB1 . 15433 1 14 . 1 1 3 3 PHE HB3 H 1 3.080 . . 1 . . . . 3 PHE HB2 . 15433 1 15 . 1 1 3 3 PHE HD1 H 1 6.169 . . 1 . . . . 3 PHE HD1 . 15433 1 16 . 1 1 3 3 PHE HD2 H 1 6.169 . . 1 . . . . 3 PHE HD2 . 15433 1 17 . 1 1 3 3 PHE HE1 H 1 6.866 . . 1 . . . . 3 PHE HE1 . 15433 1 18 . 1 1 3 3 PHE HE2 H 1 6.866 . . 1 . . . . 3 PHE HE2 . 15433 1 19 . 1 1 3 3 PHE C C 13 176.800 . . 1 . . . . 3 PHE C . 15433 1 20 . 1 1 3 3 PHE CA C 13 57.200 . . 1 . . . . 3 PHE CA . 15433 1 21 . 1 1 3 3 PHE CB C 13 38.800 . . 1 . . . . 3 PHE CB . 15433 1 22 . 1 1 3 3 PHE CD1 C 13 130.946 . . 1 . . . . 3 PHE CD1 . 15433 1 23 . 1 1 3 3 PHE CD2 C 13 130.946 . . 1 . . . . 3 PHE CD2 . 15433 1 24 . 1 1 3 3 PHE CE1 C 13 130.511 . . 1 . . . . 3 PHE CE1 . 15433 1 25 . 1 1 3 3 PHE CE2 C 13 130.511 . . 1 . . . . 3 PHE CE2 . 15433 1 26 . 1 1 3 3 PHE CG C 13 138.600 . . 1 . . . . 3 PHE CG . 15433 1 27 . 1 1 3 3 PHE N N 15 131.755 . . 1 . . . . 3 PHE N . 15433 1 28 . 1 1 4 4 SER H H 1 8.667 . . 1 . . . . 4 SER HN . 15433 1 29 . 1 1 4 4 SER HA H 1 4.420 . . 1 . . . . 4 SER HA . 15433 1 30 . 1 1 4 4 SER HB2 H 1 3.980 . . 1 . . . . 4 SER HB1 . 15433 1 31 . 1 1 4 4 SER HB3 H 1 4.130 . . 1 . . . . 4 SER HB2 . 15433 1 32 . 1 1 4 4 SER C C 13 174.200 . . 1 . . . . 4 SER C . 15433 1 33 . 1 1 4 4 SER CA C 13 61.100 . . 1 . . . . 4 SER CA . 15433 1 34 . 1 1 4 4 SER CB C 13 64.500 . . 1 . . . . 4 SER CB . 15433 1 35 . 1 1 4 4 SER N N 15 118.297 . . 1 . . . . 4 SER N . 15433 1 36 . 1 1 5 5 GLY H H 1 9.100 . . 1 . . . . 5 GLY HN . 15433 1 37 . 1 1 5 5 GLY HA2 H 1 3.890 . . 1 . . . . 5 GLY HA1 . 15433 1 38 . 1 1 5 5 GLY HA3 H 1 4.010 . . 1 . . . . 5 GLY HA2 . 15433 1 39 . 1 1 5 5 GLY C C 13 169.900 . . 1 . . . . 5 GLY C . 15433 1 40 . 1 1 5 5 GLY CA C 13 45.300 . . 1 . . . . 5 GLY CA . 15433 1 41 . 1 1 5 5 GLY N N 15 113.032 . . 1 . . . . 5 GLY N . 15433 1 42 . 1 1 6 6 LYS H H 1 8.217 . . 1 . . . . 6 LYS HN . 15433 1 43 . 1 1 6 6 LYS HA H 1 5.080 . . 1 . . . . 6 LYS HA . 15433 1 44 . 1 1 6 6 LYS HB2 H 1 1.610 . . 1 . . . . 6 LYS HB1 . 15433 1 45 . 1 1 6 6 LYS HB3 H 1 1.610 . . 1 . . . . 6 LYS HB2 . 15433 1 46 . 1 1 6 6 LYS HD2 H 1 1.610 . . 1 . . . . 6 LYS HD1 . 15433 1 47 . 1 1 6 6 LYS HE2 H 1 2.860 . . 1 . . . . 6 LYS HE1 . 15433 1 48 . 1 1 6 6 LYS HG2 H 1 1.190 . . 1 . . . . 6 LYS HG1 . 15433 1 49 . 1 1 6 6 LYS HG3 H 1 1.350 . . 1 . . . . 6 LYS HG2 . 15433 1 50 . 1 1 6 6 LYS C C 13 174.300 . . 1 . . . . 6 LYS C . 15433 1 51 . 1 1 6 6 LYS CA C 13 55.600 . . 1 . . . . 6 LYS CA . 15433 1 52 . 1 1 6 6 LYS CB C 13 34.900 . . 1 . . . . 6 LYS CB . 15433 1 53 . 1 1 6 6 LYS CD C 13 29.800 . . 1 . . . . 6 LYS CD . 15433 1 54 . 1 1 6 6 LYS CE C 13 42.100 . . 1 . . . . 6 LYS CE . 15433 1 55 . 1 1 6 6 LYS CG C 13 26.100 . . 1 . . . . 6 LYS CG . 15433 1 56 . 1 1 6 6 LYS N N 15 123.214 . . 1 . . . . 6 LYS N . 15433 1 57 . 1 1 7 7 TYR H H 1 9.193 . . 1 . . . . 7 TYR HN . 15433 1 58 . 1 1 7 7 TYR HA H 1 5.200 . . 1 . . . . 7 TYR HA . 15433 1 59 . 1 1 7 7 TYR HB2 H 1 2.510 . . 1 . . . . 7 TYR HB1 . 15433 1 60 . 1 1 7 7 TYR HB3 H 1 2.680 . . 1 . . . . 7 TYR HB2 . 15433 1 61 . 1 1 7 7 TYR HD1 H 1 6.738 . . 1 . . . . 7 TYR HD1 . 15433 1 62 . 1 1 7 7 TYR HD2 H 1 6.738 . . 1 . . . . 7 TYR HD2 . 15433 1 63 . 1 1 7 7 TYR HE1 H 1 6.583 . . 1 . . . . 7 TYR HE1 . 15433 1 64 . 1 1 7 7 TYR HE2 H 1 6.583 . . 1 . . . . 7 TYR HE2 . 15433 1 65 . 1 1 7 7 TYR C C 13 174.100 . . 1 . . . . 7 TYR C . 15433 1 66 . 1 1 7 7 TYR CA C 13 56.300 . . 1 . . . . 7 TYR CA . 15433 1 67 . 1 1 7 7 TYR CB C 13 42.100 . . 1 . . . . 7 TYR CB . 15433 1 68 . 1 1 7 7 TYR CD1 C 13 133.768 . . 1 . . . . 7 TYR CD1 . 15433 1 69 . 1 1 7 7 TYR CD2 C 13 133.768 . . 1 . . . . 7 TYR CD2 . 15433 1 70 . 1 1 7 7 TYR CE1 C 13 117.702 . . 1 . . . . 7 TYR CE1 . 15433 1 71 . 1 1 7 7 TYR CE2 C 13 117.702 . . 1 . . . . 7 TYR CE2 . 15433 1 72 . 1 1 7 7 TYR CG C 13 131.250 . . 1 . . . . 7 TYR CG . 15433 1 73 . 1 1 7 7 TYR CZ C 13 158.081 . . 1 . . . . 7 TYR CZ . 15433 1 74 . 1 1 7 7 TYR N N 15 123.731 . . 1 . . . . 7 TYR N . 15433 1 75 . 1 1 8 8 GLN H H 1 9.027 . . 1 . . . . 8 GLN HN . 15433 1 76 . 1 1 8 8 GLN HA H 1 5.400 . . 1 . . . . 8 GLN HA . 15433 1 77 . 1 1 8 8 GLN HB2 H 1 1.870 . . 1 . . . . 8 GLN HB1 . 15433 1 78 . 1 1 8 8 GLN HB3 H 1 1.970 . . 1 . . . . 8 GLN HB2 . 15433 1 79 . 1 1 8 8 GLN HE21 H 1 7.300 . . 0 . . . . 8 GLN HE21 . 15433 1 80 . 1 1 8 8 GLN HE22 H 1 6.850 . . 0 . . . . 8 GLN HE22 . 15433 1 81 . 1 1 8 8 GLN HG2 H 1 2.280 . . 1 . . . . 8 GLN HG1 . 15433 1 82 . 1 1 8 8 GLN HG3 H 1 2.340 . . 1 . . . . 8 GLN HG2 . 15433 1 83 . 1 1 8 8 GLN C C 13 176.300 . . 1 . . . . 8 GLN C . 15433 1 84 . 1 1 8 8 GLN CA C 13 54.000 . . 1 . . . . 8 GLN CA . 15433 1 85 . 1 1 8 8 GLN CB C 13 33.500 . . 1 . . . . 8 GLN CB . 15433 1 86 . 1 1 8 8 GLN CD C 13 180.200 . . 1 . . . . 8 GLN CD . 15433 1 87 . 1 1 8 8 GLN CG C 13 34.200 . . 1 . . . . 8 GLN CG . 15433 1 88 . 1 1 8 8 GLN N N 15 123.166 . . 1 . . . . 8 GLN N . 15433 1 89 . 1 1 8 8 GLN NE2 N 15 113.800 . . 1 . . . . 8 GLN NE2 . 15433 1 90 . 1 1 9 9 VAL H H 1 8.475 . . 1 . . . . 9 VAL HN . 15433 1 91 . 1 1 9 9 VAL HA H 1 4.140 . . 1 . . . . 9 VAL HA . 15433 1 92 . 1 1 9 9 VAL HB H 1 1.880 . . 1 . . . . 9 VAL HB . 15433 1 93 . 1 1 9 9 VAL HG11 H 1 0.860 . . 0 . . . . 9 VAL HG11 . 15433 1 94 . 1 1 9 9 VAL HG12 H 1 0.860 . . 0 . . . . 9 VAL HG11 . 15433 1 95 . 1 1 9 9 VAL HG13 H 1 0.860 . . 0 . . . . 9 VAL HG11 . 15433 1 96 . 1 1 9 9 VAL HG21 H 1 0.960 . . 0 . . . . 9 VAL HG21 . 15433 1 97 . 1 1 9 9 VAL HG22 H 1 0.960 . . 0 . . . . 9 VAL HG21 . 15433 1 98 . 1 1 9 9 VAL HG23 H 1 0.960 . . 0 . . . . 9 VAL HG21 . 15433 1 99 . 1 1 9 9 VAL C C 13 175.100 . . 1 . . . . 9 VAL C . 15433 1 100 . 1 1 9 9 VAL CA C 13 64.700 . . 1 . . . . 9 VAL CA . 15433 1 101 . 1 1 9 9 VAL CB C 13 33.000 . . 1 . . . . 9 VAL CB . 15433 1 102 . 1 1 9 9 VAL CG1 C 13 21.200 . . 0 . . . . 9 VAL CG1 . 15433 1 103 . 1 1 9 9 VAL CG2 C 13 22.400 . . 0 . . . . 9 VAL CG2 . 15433 1 104 . 1 1 9 9 VAL N N 15 132.664 . . 1 . . . . 9 VAL N . 15433 1 105 . 1 1 10 10 GLN H H 1 10.059 . . 1 . . . . 10 GLN HN . 15433 1 106 . 1 1 10 10 GLN HA H 1 4.490 . . 1 . . . . 10 GLN HA . 15433 1 107 . 1 1 10 10 GLN HB2 H 1 1.920 . . 0 . . . . 10 GLN HB1 . 15433 1 108 . 1 1 10 10 GLN HB3 H 1 2.170 . . 0 . . . . 10 GLN HB2 . 15433 1 109 . 1 1 10 10 GLN HE21 H 1 7.230 . . 0 . . . . 10 GLN HE21 . 15433 1 110 . 1 1 10 10 GLN HE22 H 1 7.150 . . 0 . . . . 10 GLN HE22 . 15433 1 111 . 1 1 10 10 GLN HG2 H 1 2.400 . . 0 . . . . 10 GLN HG1 . 15433 1 112 . 1 1 10 10 GLN HG3 H 1 2.400 . . 0 . . . . 10 GLN HG2 . 15433 1 113 . 1 1 10 10 GLN C C 13 176.300 . . 1 . . . . 10 GLN C . 15433 1 114 . 1 1 10 10 GLN CA C 13 55.900 . . 1 . . . . 10 GLN CA . 15433 1 115 . 1 1 10 10 GLN CB C 13 31.800 . . 1 . . . . 10 GLN CB . 15433 1 116 . 1 1 10 10 GLN CD C 13 179.700 . . 1 . . . . 10 GLN CD . 15433 1 117 . 1 1 10 10 GLN CG C 13 34.600 . . 1 . . . . 10 GLN CG . 15433 1 118 . 1 1 10 10 GLN N N 15 128.162 . . 1 . . . . 10 GLN N . 15433 1 119 . 1 1 10 10 GLN NE2 N 15 115.800 . . 1 . . . . 10 GLN NE2 . 15433 1 120 . 1 1 11 11 SER H H 1 8.072 . . 1 . . . . 11 SER HN . 15433 1 121 . 1 1 11 11 SER HA H 1 4.740 . . 1 . . . . 11 SER HA . 15433 1 122 . 1 1 11 11 SER HB2 H 1 3.790 . . 0 . . . . 11 SER HB1 . 15433 1 123 . 1 1 11 11 SER HB3 H 1 3.850 . . 0 . . . . 11 SER HB2 . 15433 1 124 . 1 1 11 11 SER C C 13 172.100 . . 1 . . . . 11 SER C . 15433 1 125 . 1 1 11 11 SER CA C 13 57.600 . . 1 . . . . 11 SER CA . 15433 1 126 . 1 1 11 11 SER CB C 13 65.400 . . 1 . . . . 11 SER CB . 15433 1 127 . 1 1 11 11 SER N N 15 114.413 . . 1 . . . . 11 SER N . 15433 1 128 . 1 1 12 12 GLN H H 1 8.530 . . 1 . . . . 12 GLN HN . 15433 1 129 . 1 1 12 12 GLN HA H 1 5.490 . . 1 . . . . 12 GLN HA . 15433 1 130 . 1 1 12 12 GLN HB2 H 1 2.260 . . 0 . . . . 12 GLN HB1 . 15433 1 131 . 1 1 12 12 GLN HB3 H 1 2.360 . . 0 . . . . 12 GLN HB2 . 15433 1 132 . 1 1 12 12 GLN HE21 H 1 7.790 . . 0 . . . . 12 GLN HE21 . 15433 1 133 . 1 1 12 12 GLN HE22 H 1 6.410 . . 0 . . . . 12 GLN HE22 . 15433 1 134 . 1 1 12 12 GLN HG2 H 1 2.520 . . 0 . . . . 12 GLN HG1 . 15433 1 135 . 1 1 12 12 GLN HG3 H 1 2.520 . . 0 . . . . 12 GLN HG2 . 15433 1 136 . 1 1 12 12 GLN C C 13 174.700 . . 1 . . . . 12 GLN C . 15433 1 137 . 1 1 12 12 GLN CA C 13 54.800 . . 1 . . . . 12 GLN CA . 15433 1 138 . 1 1 12 12 GLN CB C 13 34.100 . . 1 . . . . 12 GLN CB . 15433 1 139 . 1 1 12 12 GLN CD C 13 180.600 . . 1 . . . . 12 GLN CD . 15433 1 140 . 1 1 12 12 GLN CG C 13 35.100 . . 1 . . . . 12 GLN CG . 15433 1 141 . 1 1 12 12 GLN N N 15 119.707 . . 1 . . . . 12 GLN N . 15433 1 142 . 1 1 12 12 GLN NE2 N 15 115.100 . . 1 . . . . 12 GLN NE2 . 15433 1 143 . 1 1 13 13 GLU H H 1 9.049 . . 1 . . . . 13 GLU HN . 15433 1 144 . 1 1 13 13 GLU HA H 1 4.850 . . 1 . . . . 13 GLU HA . 15433 1 145 . 1 1 13 13 GLU HB2 H 1 2.900 . . 0 . . . . 13 GLU HB1 . 15433 1 146 . 1 1 13 13 GLU HB3 H 1 2.130 . . 0 . . . . 13 GLU HB2 . 15433 1 147 . 1 1 13 13 GLU HG2 H 1 2.280 . . 0 . . . . 13 GLU HG1 . 15433 1 148 . 1 1 13 13 GLU HG3 H 1 2.280 . . 0 . . . . 13 GLU HG2 . 15433 1 149 . 1 1 13 13 GLU C C 13 176.000 . . 1 . . . . 13 GLU C . 15433 1 150 . 1 1 13 13 GLU CA C 13 55.500 . . 1 . . . . 13 GLU CA . 15433 1 151 . 1 1 13 13 GLU CB C 13 34.000 . . 1 . . . . 13 GLU CB . 15433 1 152 . 1 1 13 13 GLU CD C 13 183.600 . . 1 . . . . 13 GLU CD . 15433 1 153 . 1 1 13 13 GLU CG C 13 36.300 . . 1 . . . . 13 GLU CG . 15433 1 154 . 1 1 13 13 GLU N N 15 122.649 . . 1 . . . . 13 GLU N . 15433 1 155 . 1 1 14 14 ASN H H 1 9.292 . . 1 . . . . 14 ASN HN . 15433 1 156 . 1 1 14 14 ASN HA H 1 4.510 . . 1 . . . . 14 ASN HA . 15433 1 157 . 1 1 14 14 ASN HB2 H 1 3.130 . . 0 . . . . 14 ASN HB1 . 15433 1 158 . 1 1 14 14 ASN HB3 H 1 3.760 . . 0 . . . . 14 ASN HB2 . 15433 1 159 . 1 1 14 14 ASN HD21 H 1 7.910 . . 0 . . . . 14 ASN HD21 . 15433 1 160 . 1 1 14 14 ASN HD22 H 1 7.090 . . 0 . . . . 14 ASN HD22 . 15433 1 161 . 1 1 14 14 ASN C C 13 174.400 . . 1 . . . . 14 ASN C . 15433 1 162 . 1 1 14 14 ASN CA C 13 54.900 . . 1 . . . . 14 ASN CA . 15433 1 163 . 1 1 14 14 ASN CB C 13 36.300 . . 1 . . . . 14 ASN CB . 15433 1 164 . 1 1 14 14 ASN CG C 13 178.400 . . 1 . . . . 14 ASN CG . 15433 1 165 . 1 1 14 14 ASN N N 15 119.031 . . 1 . . . . 14 ASN N . 15433 1 166 . 1 1 14 14 ASN ND2 N 15 116.000 . . 1 . . . . 14 ASN ND2 . 15433 1 167 . 1 1 15 15 PHE H H 1 8.542 . . 1 . . . . 15 PHE HN . 15433 1 168 . 1 1 15 15 PHE HA H 1 3.570 . . 1 . . . . 15 PHE HA . 15433 1 169 . 1 1 15 15 PHE HB2 H 1 3.010 . . 0 . . . . 15 PHE HB1 . 15433 1 170 . 1 1 15 15 PHE HD1 H 1 7.005 . . 0 . . . . 15 PHE HD1 . 15433 1 171 . 1 1 15 15 PHE HD2 H 1 7.005 . . 0 . . . . 15 PHE HD2 . 15433 1 172 . 1 1 15 15 PHE HE1 H 1 6.760 . . 0 . . . . 15 PHE HE1 . 15433 1 173 . 1 1 15 15 PHE HE2 H 1 6.760 . . 0 . . . . 15 PHE HE2 . 15433 1 174 . 1 1 15 15 PHE C C 13 176.300 . . 1 . . . . 15 PHE C . 15433 1 175 . 1 1 15 15 PHE CA C 13 62.500 . . 1 . . . . 15 PHE CA . 15433 1 176 . 1 1 15 15 PHE CB C 13 40.500 . . 1 . . . . 15 PHE CB . 15433 1 177 . 1 1 15 15 PHE CD1 C 13 132.284 . . 0 . . . . 15 PHE CD1 . 15433 1 178 . 1 1 15 15 PHE CD2 C 13 132.284 . . 0 . . . . 15 PHE CD2 . 15433 1 179 . 1 1 15 15 PHE CG C 13 138.786 . . 1 . . . . 15 PHE CG . 15433 1 180 . 1 1 15 15 PHE N N 15 120.742 . . 1 . . . . 15 PHE N . 15433 1 181 . 1 1 16 16 GLU H H 1 9.575 . . 1 . . . . 16 GLU HN . 15433 1 182 . 1 1 16 16 GLU HA H 1 3.730 . . 1 . . . . 16 GLU HA . 15433 1 183 . 1 1 16 16 GLU HB2 H 1 2.160 . . 0 . . . . 16 GLU HB2 . 15433 1 184 . 1 1 16 16 GLU HG2 H 1 2.270 . . 0 . . . . 16 GLU HG1 . 15433 1 185 . 1 1 16 16 GLU HG3 H 1 2.270 . . 0 . . . . 16 GLU HG2 . 15433 1 186 . 1 1 16 16 GLU C C 13 175.200 . . 1 . . . . 16 GLU C . 15433 1 187 . 1 1 16 16 GLU CA C 13 62.400 . . 1 . . . . 16 GLU CA . 15433 1 188 . 1 1 16 16 GLU CB C 13 27.200 . . 1 . . . . 16 GLU CB . 15433 1 189 . 1 1 16 16 GLU CD C 13 183.100 . . 1 . . . . 16 GLU CD . 15433 1 190 . 1 1 16 16 GLU CG C 13 38.100 . . 1 . . . . 16 GLU CG . 15433 1 191 . 1 1 16 16 GLU N N 15 118.755 . . 1 . . . . 16 GLU N . 15433 1 192 . 1 1 17 17 PRO HA H 1 4.210 . . 1 . . . . 17 PRO HA . 15433 1 193 . 1 1 17 17 PRO HB2 H 1 1.730 . . 0 . . . . 17 PRO HB1 . 15433 1 194 . 1 1 17 17 PRO HB3 H 1 2.320 . . 0 . . . . 17 PRO HB2 . 15433 1 195 . 1 1 17 17 PRO HD2 H 1 3.590 . . 0 . . . . 17 PRO HD1 . 15433 1 196 . 1 1 17 17 PRO HD3 H 1 3.690 . . 0 . . . . 17 PRO HD2 . 15433 1 197 . 1 1 17 17 PRO HG2 H 1 2.080 . . 0 . . . . 17 PRO HG1 . 15433 1 198 . 1 1 17 17 PRO C C 13 179.700 . . 1 . . . . 17 PRO C . 15433 1 199 . 1 1 17 17 PRO CA C 13 65.700 . . 1 . . . . 17 PRO CA . 15433 1 200 . 1 1 17 17 PRO CB C 13 31.100 . . 1 . . . . 17 PRO CB . 15433 1 201 . 1 1 17 17 PRO CD C 13 40.700 . . 1 . . . . 17 PRO CD . 15433 1 202 . 1 1 17 17 PRO CG C 13 28.300 . . 1 . . . . 17 PRO CG . 15433 1 203 . 1 1 18 18 PHE H H 1 7.240 . . 1 . . . . 18 PHE HN . 15433 1 204 . 1 1 18 18 PHE HA H 1 3.880 . . 1 . . . . 18 PHE HA . 15433 1 205 . 1 1 18 18 PHE HB2 H 1 2.730 . . 0 . . . . 18 PHE HB1 . 15433 1 206 . 1 1 18 18 PHE HB3 H 1 2.940 . . 0 . . . . 18 PHE HB2 . 15433 1 207 . 1 1 18 18 PHE HD1 H 1 6.783 . . 0 . . . . 18 PHE HD1 . 15433 1 208 . 1 1 18 18 PHE HD2 H 1 6.783 . . 0 . . . . 18 PHE HD2 . 15433 1 209 . 1 1 18 18 PHE HE1 H 1 7.026 . . 0 . . . . 18 PHE HE1 . 15433 1 210 . 1 1 18 18 PHE HE2 H 1 7.026 . . 0 . . . . 18 PHE HE2 . 15433 1 211 . 1 1 18 18 PHE C C 13 176.100 . . 1 . . . . 18 PHE C . 15433 1 212 . 1 1 18 18 PHE CA C 13 62.400 . . 1 . . . . 18 PHE CA . 15433 1 213 . 1 1 18 18 PHE CB C 13 40.400 . . 1 . . . . 18 PHE CB . 15433 1 214 . 1 1 18 18 PHE CD1 C 13 132.282 . . 0 . . . . 18 PHE CD1 . 15433 1 215 . 1 1 18 18 PHE CD2 C 13 132.282 . . 0 . . . . 18 PHE CD2 . 15433 1 216 . 1 1 18 18 PHE CE1 C 13 131.383 . . 0 . . . . 18 PHE CE1 . 15433 1 217 . 1 1 18 18 PHE CE2 C 13 131.383 . . 0 . . . . 18 PHE CE2 . 15433 1 218 . 1 1 18 18 PHE CG C 13 137.760 . . 1 . . . . 18 PHE CG . 15433 1 219 . 1 1 18 18 PHE N N 15 120.200 . . 1 . . . . 18 PHE N . 15433 1 220 . 1 1 19 19 MET H H 1 8.228 . . 1 . . . . 19 MET HN . 15433 1 221 . 1 1 19 19 MET HA H 1 3.990 . . 1 . . . . 19 MET HA . 15433 1 222 . 1 1 19 19 MET HB2 H 1 1.350 . . 0 . . . . 19 MET HB1 . 15433 1 223 . 1 1 19 19 MET HB3 H 1 1.560 . . 0 . . . . 19 MET HB2 . 15433 1 224 . 1 1 19 19 MET HG2 H 1 1.490 . . 0 . . . . 19 MET HG1 . 15433 1 225 . 1 1 19 19 MET HG3 H 1 1.760 . . 0 . . . . 19 MET HG2 . 15433 1 226 . 1 1 19 19 MET C C 13 179.500 . . 1 . . . . 19 MET C . 15433 1 227 . 1 1 19 19 MET CA C 13 56.700 . . 1 . . . . 19 MET CA . 15433 1 228 . 1 1 19 19 MET CB C 13 31.600 . . 1 . . . . 19 MET CB . 15433 1 229 . 1 1 19 19 MET CG C 13 33.000 . . 1 . . . . 19 MET CG . 15433 1 230 . 1 1 19 19 MET N N 15 117.830 . . 1 . . . . 19 MET N . 15433 1 231 . 1 1 20 20 LYS H H 1 8.305 . . 1 . . . . 20 LYS HN . 15433 1 232 . 1 1 20 20 LYS HA H 1 3.930 . . 1 . . . . 20 LYS HA . 15433 1 233 . 1 1 20 20 LYS HB2 H 1 1.740 . . 0 . . . . 20 LYS HB1 . 15433 1 234 . 1 1 20 20 LYS HD2 H 1 1.610 . . 0 . . . . 20 LYS HD1 . 15433 1 235 . 1 1 20 20 LYS HE2 H 1 2.900 . . 0 . . . . 20 LYS HE1 . 15433 1 236 . 1 1 20 20 LYS HG2 H 1 1.320 . . 0 . . . . 20 LYS HG1 . 15433 1 237 . 1 1 20 20 LYS HG3 H 1 1.460 . . 0 . . . . 20 LYS HG2 . 15433 1 238 . 1 1 20 20 LYS C C 13 180.700 . . 1 . . . . 20 LYS C . 15433 1 239 . 1 1 20 20 LYS CA C 13 59.600 . . 1 . . . . 20 LYS CA . 15433 1 240 . 1 1 20 20 LYS CB C 13 32.500 . . 1 . . . . 20 LYS CB . 15433 1 241 . 1 1 20 20 LYS CD C 13 29.300 . . 1 . . . . 20 LYS CD . 15433 1 242 . 1 1 20 20 LYS CE C 13 42.300 . . 1 . . . . 20 LYS CE . 15433 1 243 . 1 1 20 20 LYS CG C 13 25.700 . . 1 . . . . 20 LYS CG . 15433 1 244 . 1 1 20 20 LYS N N 15 122.202 . . 1 . . . . 20 LYS N . 15433 1 245 . 1 1 21 21 ALA H H 1 7.560 . . 1 . . . . 21 ALA HN . 15433 1 246 . 1 1 21 21 ALA HA H 1 4.000 . . 1 . . . . 21 ALA HA . 15433 1 247 . 1 1 21 21 ALA HB1 H 1 1.290 . . 0 . . . . 21 ALA HB1 . 15433 1 248 . 1 1 21 21 ALA HB2 H 1 1.290 . . 0 . . . . 21 ALA HB1 . 15433 1 249 . 1 1 21 21 ALA HB3 H 1 1.290 . . 0 . . . . 21 ALA HB1 . 15433 1 250 . 1 1 21 21 ALA C C 13 179.500 . . 1 . . . . 21 ALA C . 15433 1 251 . 1 1 21 21 ALA CA C 13 54.900 . . 1 . . . . 21 ALA CA . 15433 1 252 . 1 1 21 21 ALA CB C 13 18.000 . . 1 . . . . 21 ALA CB . 15433 1 253 . 1 1 21 21 ALA N N 15 125.700 . . 1 . . . . 21 ALA N . 15433 1 254 . 1 1 22 22 MET H H 1 7.480 . . 1 . . . . 22 MET HN . 15433 1 255 . 1 1 22 22 MET HA H 1 4.160 . . 1 . . . . 22 MET HA . 15433 1 256 . 1 1 22 22 MET HB2 H 1 2.080 . . 0 . . . . 22 MET HB1 . 15433 1 257 . 1 1 22 22 MET HB3 H 1 2.160 . . 0 . . . . 22 MET HB2 . 15433 1 258 . 1 1 22 22 MET HG2 H 1 1.830 . . 0 . . . . 22 MET HG1 . 15433 1 259 . 1 1 22 22 MET HG3 H 1 1.880 . . 0 . . . . 22 MET HG2 . 15433 1 260 . 1 1 22 22 MET C C 13 176.500 . . 1 . . . . 22 MET C . 15433 1 261 . 1 1 22 22 MET CA C 13 55.400 . . 1 . . . . 22 MET CA . 15433 1 262 . 1 1 22 22 MET CB C 13 32.400 . . 1 . . . . 22 MET CB . 15433 1 263 . 1 1 22 22 MET CG C 13 32.600 . . 1 . . . . 22 MET CG . 15433 1 264 . 1 1 22 22 MET N N 15 117.200 . . 1 . . . . 22 MET N . 15433 1 265 . 1 1 23 23 GLY H H 1 7.610 . . 1 . . . . 23 GLY HN . 15433 1 266 . 1 1 23 23 GLY HA2 H 1 3.660 . . 0 . . . . 23 GLY HA1 . 15433 1 267 . 1 1 23 23 GLY HA3 H 1 4.090 . . 0 . . . . 23 GLY HA2 . 15433 1 268 . 1 1 23 23 GLY C C 13 175.200 . . 1 . . . . 23 GLY C . 15433 1 269 . 1 1 23 23 GLY CA C 13 45.400 . . 1 . . . . 23 GLY CA . 15433 1 270 . 1 1 23 23 GLY N N 15 108.400 . . 1 . . . . 23 GLY N . 15433 1 271 . 1 1 24 24 LEU H H 1 7.580 . . 1 . . . . 24 LEU HN . 15433 1 272 . 1 1 24 24 LEU HA H 1 4.300 . . 1 . . . . 24 LEU HA . 15433 1 273 . 1 1 24 24 LEU HB2 H 1 1.130 . . 0 . . . . 24 LEU HB1 . 15433 1 274 . 1 1 24 24 LEU HB3 H 1 1.380 . . 0 . . . . 24 LEU HB2 . 15433 1 275 . 1 1 24 24 LEU HD11 H 1 0.810 . . 0 . . . . 24 LEU HD11 . 15433 1 276 . 1 1 24 24 LEU HD12 H 1 0.810 . . 0 . . . . 24 LEU HD11 . 15433 1 277 . 1 1 24 24 LEU HD13 H 1 0.810 . . 0 . . . . 24 LEU HD11 . 15433 1 278 . 1 1 24 24 LEU HD21 H 1 0.710 . . 0 . . . . 24 LEU HD21 . 15433 1 279 . 1 1 24 24 LEU HD22 H 1 0.710 . . 0 . . . . 24 LEU HD21 . 15433 1 280 . 1 1 24 24 LEU HD23 H 1 0.710 . . 0 . . . . 24 LEU HD21 . 15433 1 281 . 1 1 24 24 LEU HG H 1 1.630 . . 1 . . . . 24 LEU HG . 15433 1 282 . 1 1 24 24 LEU C C 13 174.200 . . 1 . . . . 24 LEU C . 15433 1 283 . 1 1 24 24 LEU CA C 13 53.800 . . 1 . . . . 24 LEU CA . 15433 1 284 . 1 1 24 24 LEU CB C 13 42.200 . . 1 . . . . 24 LEU CB . 15433 1 285 . 1 1 24 24 LEU CD1 C 13 25.400 . . 0 . . . . 24 LEU CD1 . 15433 1 286 . 1 1 24 24 LEU CD2 C 13 24.900 . . 0 . . . . 24 LEU CD2 . 15433 1 287 . 1 1 24 24 LEU CG C 13 27.900 . . 1 . . . . 24 LEU CG . 15433 1 288 . 1 1 24 24 LEU N N 15 125.600 . . 1 . . . . 24 LEU N . 15433 1 289 . 1 1 25 25 PRO HA H 1 4.410 . . 1 . . . . 25 PRO HA . 15433 1 290 . 1 1 25 25 PRO HB2 H 1 2.030 . . 0 . . . . 25 PRO HB1 . 15433 1 291 . 1 1 25 25 PRO HB3 H 1 2.450 . . 0 . . . . 25 PRO HB2 . 15433 1 292 . 1 1 25 25 PRO HD2 H 1 3.440 . . 0 . . . . 25 PRO HD1 . 15433 1 293 . 1 1 25 25 PRO HD3 H 1 3.990 . . 0 . . . . 25 PRO HD2 . 15433 1 294 . 1 1 25 25 PRO HG2 H 1 2.110 . . 0 . . . . 25 PRO HG1 . 15433 1 295 . 1 1 25 25 PRO HG3 H 1 2.110 . . 0 . . . . 25 PRO HG2 . 15433 1 296 . 1 1 25 25 PRO C C 13 177.900 . . 1 . . . . 25 PRO C . 15433 1 297 . 1 1 25 25 PRO CA C 13 63.000 . . 1 . . . . 25 PRO CA . 15433 1 298 . 1 1 25 25 PRO CB C 13 33.000 . . 1 . . . . 25 PRO CB . 15433 1 299 . 1 1 25 25 PRO CD C 13 51.000 . . 1 . . . . 25 PRO CD . 15433 1 300 . 1 1 25 25 PRO CG C 13 28.100 . . 1 . . . . 25 PRO CG . 15433 1 301 . 1 1 26 26 GLU H H 1 8.768 . . 1 . . . . 26 GLU HN . 15433 1 302 . 1 1 26 26 GLU HA H 1 3.820 . . 1 . . . . 26 GLU HA . 15433 1 303 . 1 1 26 26 GLU HB2 H 1 2.060 . . 0 . . . . 26 GLU HB1 . 15433 1 304 . 1 1 26 26 GLU HG2 H 1 2.330 . . 0 . . . . 26 GLU HG1 . 15433 1 305 . 1 1 26 26 GLU HG3 H 1 2.330 . . 0 . . . . 26 GLU HG2 . 15433 1 306 . 1 1 26 26 GLU C C 13 178.200 . . 1 . . . . 26 GLU C . 15433 1 307 . 1 1 26 26 GLU CA C 13 60.200 . . 1 . . . . 26 GLU CA . 15433 1 308 . 1 1 26 26 GLU CB C 13 30.000 . . 1 . . . . 26 GLU CB . 15433 1 309 . 1 1 26 26 GLU CD C 13 183.400 . . 1 . . . . 26 GLU CD . 15433 1 310 . 1 1 26 26 GLU CG C 13 36.500 . . 1 . . . . 26 GLU CG . 15433 1 311 . 1 1 26 26 GLU N N 15 124.706 . . 1 . . . . 26 GLU N . 15433 1 312 . 1 1 27 27 ASP H H 1 8.886 . . 1 . . . . 27 ASP HN . 15433 1 313 . 1 1 27 27 ASP HA H 1 4.350 . . 1 . . . . 27 ASP HA . 15433 1 314 . 1 1 27 27 ASP HB2 H 1 2.600 . . 0 . . . . 27 ASP HB1 . 15433 1 315 . 1 1 27 27 ASP HB3 H 1 2.650 . . 0 . . . . 27 ASP HB2 . 15433 1 316 . 1 1 27 27 ASP C C 13 178.700 . . 1 . . . . 27 ASP C . 15433 1 317 . 1 1 27 27 ASP CA C 13 57.100 . . 1 . . . . 27 ASP CA . 15433 1 318 . 1 1 27 27 ASP CB C 13 40.100 . . 1 . . . . 27 ASP CB . 15433 1 319 . 1 1 27 27 ASP CG C 13 179.700 . . 1 . . . . 27 ASP CG . 15433 1 320 . 1 1 27 27 ASP N N 15 118.492 . . 1 . . . . 27 ASP N . 15433 1 321 . 1 1 28 28 LEU H H 1 7.180 . . 1 . . . . 28 LEU HN . 15433 1 322 . 1 1 28 28 LEU HA H 1 4.190 . . 1 . . . . 28 LEU HA . 15433 1 323 . 1 1 28 28 LEU HB2 H 1 1.460 . . 0 . . . . 28 LEU HB1 . 15433 1 324 . 1 1 28 28 LEU HB3 H 1 1.790 . . 0 . . . . 28 LEU HB2 . 15433 1 325 . 1 1 28 28 LEU HD11 H 1 0.910 . . 0 . . . . 28 LEU HD11 . 15433 1 326 . 1 1 28 28 LEU HD12 H 1 0.910 . . 0 . . . . 28 LEU HD11 . 15433 1 327 . 1 1 28 28 LEU HD13 H 1 0.910 . . 0 . . . . 28 LEU HD11 . 15433 1 328 . 1 1 28 28 LEU HD21 H 1 0.850 . . 0 . . . . 28 LEU HD21 . 15433 1 329 . 1 1 28 28 LEU HD22 H 1 0.850 . . 0 . . . . 28 LEU HD21 . 15433 1 330 . 1 1 28 28 LEU HD23 H 1 0.850 . . 0 . . . . 28 LEU HD21 . 15433 1 331 . 1 1 28 28 LEU HG H 1 1.720 . . 1 . . . . 28 LEU HG . 15433 1 332 . 1 1 28 28 LEU C C 13 179.200 . . 1 . . . . 28 LEU C . 15433 1 333 . 1 1 28 28 LEU CA C 13 57.500 . . 1 . . . . 28 LEU CA . 15433 1 334 . 1 1 28 28 LEU CB C 13 42.000 . . 1 . . . . 28 LEU CB . 15433 1 335 . 1 1 28 28 LEU CD1 C 13 25.500 . . 0 . . . . 28 LEU CD1 . 15433 1 336 . 1 1 28 28 LEU CD2 C 13 23.800 . . 0 . . . . 28 LEU CD2 . 15433 1 337 . 1 1 28 28 LEU CG C 13 27.500 . . 1 . . . . 28 LEU CG . 15433 1 338 . 1 1 28 28 LEU N N 15 121.500 . . 1 . . . . 28 LEU N . 15433 1 339 . 1 1 29 29 ILE H H 1 7.740 . . 1 . . . . 29 ILE HN . 15433 1 340 . 1 1 29 29 ILE HA H 1 3.490 . . 1 . . . . 29 ILE HA . 15433 1 341 . 1 1 29 29 ILE HB H 1 1.990 . . 1 . . . . 29 ILE HB . 15433 1 342 . 1 1 29 29 ILE HD11 H 1 0.650 . . 0 . . . . 29 ILE HD11 . 15433 1 343 . 1 1 29 29 ILE HD12 H 1 0.650 . . 0 . . . . 29 ILE HD11 . 15433 1 344 . 1 1 29 29 ILE HD13 H 1 0.650 . . 0 . . . . 29 ILE HD11 . 15433 1 345 . 1 1 29 29 ILE HG12 H 1 0.350 . . 0 . . . . 29 ILE HG11 . 15433 1 346 . 1 1 29 29 ILE HG13 H 1 1.650 . . 0 . . . . 29 ILE HG12 . 15433 1 347 . 1 1 29 29 ILE HG21 H 1 0.870 . . 0 . . . . 29 ILE HG21 . 15433 1 348 . 1 1 29 29 ILE HG22 H 1 0.870 . . 0 . . . . 29 ILE HG21 . 15433 1 349 . 1 1 29 29 ILE HG23 H 1 0.870 . . 0 . . . . 29 ILE HG21 . 15433 1 350 . 1 1 29 29 ILE C C 13 177.900 . . 1 . . . . 29 ILE C . 15433 1 351 . 1 1 29 29 ILE CA C 13 66.600 . . 1 . . . . 29 ILE CA . 15433 1 352 . 1 1 29 29 ILE CB C 13 38.000 . . 1 . . . . 29 ILE CB . 15433 1 353 . 1 1 29 29 ILE CD1 C 13 13.600 . . 1 . . . . 29 ILE CD1 . 15433 1 354 . 1 1 29 29 ILE CG1 C 13 29.900 . . 0 . . . . 29 ILE CG1 . 15433 1 355 . 1 1 29 29 ILE CG2 C 13 17.700 . . 0 . . . . 29 ILE CG2 . 15433 1 356 . 1 1 29 29 ILE N N 15 122.400 . . 1 . . . . 29 ILE N . 15433 1 357 . 1 1 30 30 GLN H H 1 8.081 . . 1 . . . . 30 GLN HN . 15433 1 358 . 1 1 30 30 GLN HA H 1 3.930 . . 1 . . . . 30 GLN HA . 15433 1 359 . 1 1 30 30 GLN HB2 H 1 2.160 . . 0 . . . . 30 GLN HB1 . 15433 1 360 . 1 1 30 30 GLN HB3 H 1 2.160 . . 0 . . . . 30 GLN HB2 . 15433 1 361 . 1 1 30 30 GLN HE21 H 1 7.700 . . 0 . . . . 30 GLN HE21 . 15433 1 362 . 1 1 30 30 GLN HE22 H 1 6.950 . . 0 . . . . 30 GLN HE22 . 15433 1 363 . 1 1 30 30 GLN HG2 H 1 2.170 . . 0 . . . . 30 GLN HG1 . 15433 1 364 . 1 1 30 30 GLN HG3 H 1 2.500 . . 0 . . . . 30 GLN HG2 . 15433 1 365 . 1 1 30 30 GLN C C 13 178.900 . . 1 . . . . 30 GLN C . 15433 1 366 . 1 1 30 30 GLN CA C 13 58.900 . . 1 . . . . 30 GLN CA . 15433 1 367 . 1 1 30 30 GLN CB C 13 28.200 . . 1 . . . . 30 GLN CB . 15433 1 368 . 1 1 30 30 GLN CD C 13 180.300 . . 1 . . . . 30 GLN CD . 15433 1 369 . 1 1 30 30 GLN CG C 13 33.700 . . 1 . . . . 30 GLN CG . 15433 1 370 . 1 1 30 30 GLN N N 15 118.301 . . 1 . . . . 30 GLN N . 15433 1 371 . 1 1 30 30 GLN NE2 N 15 115.800 . . 1 . . . . 30 GLN NE2 . 15433 1 372 . 1 1 31 31 LYS H H 1 7.630 . . 1 . . . . 31 LYS HN . 15433 1 373 . 1 1 31 31 LYS HA H 1 4.190 . . 1 . . . . 31 LYS HA . 15433 1 374 . 1 1 31 31 LYS HB2 H 1 1.720 . . 0 . . . . 31 LYS HB1 . 15433 1 375 . 1 1 31 31 LYS HB3 H 1 1.850 . . 0 . . . . 31 LYS HB2 . 15433 1 376 . 1 1 31 31 LYS HD2 H 1 1.620 . . 0 . . . . 31 LYS HD1 . 15433 1 377 . 1 1 31 31 LYS HD3 H 1 1.720 . . 0 . . . . 31 LYS HD2 . 15433 1 378 . 1 1 31 31 LYS HE2 H 1 2.980 . . 0 . . . . 31 LYS HE2 . 15433 1 379 . 1 1 31 31 LYS HG2 H 1 1.530 . . 0 . . . . 31 LYS HG1 . 15433 1 380 . 1 1 31 31 LYS HG3 H 1 1.700 . . 0 . . . . 31 LYS HG2 . 15433 1 381 . 1 1 31 31 LYS C C 13 179.100 . . 1 . . . . 31 LYS C . 15433 1 382 . 1 1 31 31 LYS CA C 13 59.100 . . 1 . . . . 31 LYS CA . 15433 1 383 . 1 1 31 31 LYS CB C 13 33.800 . . 1 . . . . 31 LYS CB . 15433 1 384 . 1 1 31 31 LYS CD C 13 29.600 . . 1 . . . . 31 LYS CD . 15433 1 385 . 1 1 31 31 LYS CE C 13 42.600 . . 1 . . . . 31 LYS CE . 15433 1 386 . 1 1 31 31 LYS CG C 13 26.100 . . 1 . . . . 31 LYS CG . 15433 1 387 . 1 1 31 31 LYS N N 15 118.900 . . 1 . . . . 31 LYS N . 15433 1 388 . 1 1 32 32 GLY H H 1 8.430 . . 1 . . . . 32 GLY HN . 15433 1 389 . 1 1 32 32 GLY HA2 H 1 3.600 . . 0 . . . . 32 GLY HA1 . 15433 1 390 . 1 1 32 32 GLY HA3 H 1 3.980 . . 0 . . . . 32 GLY HA2 . 15433 1 391 . 1 1 32 32 GLY C C 13 175.200 . . 1 . . . . 32 GLY C . 15433 1 392 . 1 1 32 32 GLY CA C 13 46.900 . . 1 . . . . 32 GLY CA . 15433 1 393 . 1 1 32 32 GLY N N 15 106.967 . . 1 . . . . 32 GLY N . 15433 1 394 . 1 1 33 33 LYS H H 1 7.710 . . 1 . . . . 33 LYS HN . 15433 1 395 . 1 1 33 33 LYS HA H 1 3.330 . . 1 . . . . 33 LYS HA . 15433 1 396 . 1 1 33 33 LYS HB2 H 1 1.850 . . 0 . . . . 33 LYS HB1 . 15433 1 397 . 1 1 33 33 LYS HD2 H 1 1.690 . . 0 . . . . 33 LYS HD1 . 15433 1 398 . 1 1 33 33 LYS HD3 H 1 1.690 . . 0 . . . . 33 LYS HD2 . 15433 1 399 . 1 1 33 33 LYS HG2 H 1 1.440 . . 0 . . . . 33 LYS HG1 . 15433 1 400 . 1 1 33 33 LYS HG3 H 1 1.530 . . 0 . . . . 33 LYS HG2 . 15433 1 401 . 1 1 33 33 LYS C C 13 176.500 . . 1 . . . . 33 LYS C . 15433 1 402 . 1 1 33 33 LYS CA C 13 59.000 . . 1 . . . . 33 LYS CA . 15433 1 403 . 1 1 33 33 LYS CB C 13 32.500 . . 1 . . . . 33 LYS CB . 15433 1 404 . 1 1 33 33 LYS CD C 13 30.100 . . 1 . . . . 33 LYS CD . 15433 1 405 . 1 1 33 33 LYS CE C 13 42.500 . . 1 . . . . 33 LYS CE . 15433 1 406 . 1 1 33 33 LYS CG C 13 24.100 . . 1 . . . . 33 LYS CG . 15433 1 407 . 1 1 33 33 LYS N N 15 121.300 . . 1 . . . . 33 LYS N . 15433 1 408 . 1 1 34 34 ASP H H 1 7.530 . . 1 . . . . 34 ASP HN . 15433 1 409 . 1 1 34 34 ASP HA H 1 4.800 . . 1 . . . . 34 ASP HA . 15433 1 410 . 1 1 34 34 ASP HB2 H 1 2.500 . . 0 . . . . 34 ASP HB1 . 15433 1 411 . 1 1 34 34 ASP HB3 H 1 2.850 . . 0 . . . . 34 ASP HB2 . 15433 1 412 . 1 1 34 34 ASP C C 13 176.200 . . 1 . . . . 34 ASP C . 15433 1 413 . 1 1 34 34 ASP CA C 13 54.800 . . 1 . . . . 34 ASP CA . 15433 1 414 . 1 1 34 34 ASP CB C 13 42.300 . . 1 . . . . 34 ASP CB . 15433 1 415 . 1 1 34 34 ASP CG C 13 180.200 . . 1 . . . . 34 ASP CG . 15433 1 416 . 1 1 34 34 ASP N N 15 119.100 . . 1 . . . . 34 ASP N . 15433 1 417 . 1 1 35 35 ILE H H 1 7.380 . . 1 . . . . 35 ILE HN . 15433 1 418 . 1 1 35 35 ILE HA H 1 3.980 . . 1 . . . . 35 ILE HA . 15433 1 419 . 1 1 35 35 ILE HB H 1 1.860 . . 1 . . . . 35 ILE HB . 15433 1 420 . 1 1 35 35 ILE HD11 H 1 0.870 . . 0 . . . . 35 ILE HD11 . 15433 1 421 . 1 1 35 35 ILE HD12 H 1 0.870 . . 0 . . . . 35 ILE HD11 . 15433 1 422 . 1 1 35 35 ILE HD13 H 1 0.870 . . 0 . . . . 35 ILE HD11 . 15433 1 423 . 1 1 35 35 ILE HG12 H 1 1.110 . . 0 . . . . 35 ILE HG11 . 15433 1 424 . 1 1 35 35 ILE HG13 H 1 1.740 . . 0 . . . . 35 ILE HG12 . 15433 1 425 . 1 1 35 35 ILE HG21 H 1 0.620 . . 0 . . . . 35 ILE HG21 . 15433 1 426 . 1 1 35 35 ILE HG22 H 1 0.620 . . 0 . . . . 35 ILE HG21 . 15433 1 427 . 1 1 35 35 ILE HG23 H 1 0.620 . . 0 . . . . 35 ILE HG21 . 15433 1 428 . 1 1 35 35 ILE C C 13 176.000 . . 1 . . . . 35 ILE C . 15433 1 429 . 1 1 35 35 ILE CA C 13 61.500 . . 1 . . . . 35 ILE CA . 15433 1 430 . 1 1 35 35 ILE CB C 13 39.600 . . 1 . . . . 35 ILE CB . 15433 1 431 . 1 1 35 35 ILE CD1 C 13 14.100 . . 1 . . . . 35 ILE CD1 . 15433 1 432 . 1 1 35 35 ILE CG1 C 13 27.900 . . 0 . . . . 35 ILE CG1 . 15433 1 433 . 1 1 35 35 ILE CG2 C 13 17.400 . . 0 . . . . 35 ILE CG2 . 15433 1 434 . 1 1 35 35 ILE N N 15 122.700 . . 1 . . . . 35 ILE N . 15433 1 435 . 1 1 36 36 LYS H H 1 8.666 . . 1 . . . . 36 LYS HN . 15433 1 436 . 1 1 36 36 LYS HA H 1 4.260 . . 1 . . . . 36 LYS HA . 15433 1 437 . 1 1 36 36 LYS HB2 H 1 1.800 . . 0 . . . . 36 LYS HB2 . 15433 1 438 . 1 1 36 36 LYS HD2 H 1 1.620 . . 0 . . . . 36 LYS HD2 . 15433 1 439 . 1 1 36 36 LYS HE2 H 1 2.990 . . 0 . . . . 36 LYS HE2 . 15433 1 440 . 1 1 36 36 LYS HG2 H 1 1.300 . . 0 . . . . 36 LYS HG1 . 15433 1 441 . 1 1 36 36 LYS HG3 H 1 1.480 . . 0 . . . . 36 LYS HG2 . 15433 1 442 . 1 1 36 36 LYS C C 13 175.900 . . 1 . . . . 36 LYS C . 15433 1 443 . 1 1 36 36 LYS CA C 13 55.100 . . 1 . . . . 36 LYS CA . 15433 1 444 . 1 1 36 36 LYS CB C 13 30.800 . . 1 . . . . 36 LYS CB . 15433 1 445 . 1 1 36 36 LYS CD C 13 29.200 . . 1 . . . . 36 LYS CD . 15433 1 446 . 1 1 36 36 LYS CE C 13 42.100 . . 1 . . . . 36 LYS CE . 15433 1 447 . 1 1 36 36 LYS CG C 13 24.800 . . 1 . . . . 36 LYS CG . 15433 1 448 . 1 1 36 36 LYS N N 15 130.394 . . 1 . . . . 36 LYS N . 15433 1 449 . 1 1 37 37 GLY H H 1 7.060 . . 1 . . . . 37 GLY HN . 15433 1 450 . 1 1 37 37 GLY HA2 H 1 3.020 . . 0 . . . . 37 GLY HA1 . 15433 1 451 . 1 1 37 37 GLY HA3 H 1 3.510 . . 0 . . . . 37 GLY HA2 . 15433 1 452 . 1 1 37 37 GLY C C 13 171.700 . . 1 . . . . 37 GLY C . 15433 1 453 . 1 1 37 37 GLY CA C 13 45.400 . . 1 . . . . 37 GLY CA . 15433 1 454 . 1 1 37 37 GLY N N 15 113.700 . . 1 . . . . 37 GLY N . 15433 1 455 . 1 1 38 38 VAL H H 1 7.790 . . 1 . . . . 38 VAL HN . 15433 1 456 . 1 1 38 38 VAL HA H 1 5.040 . . 1 . . . . 38 VAL HA . 15433 1 457 . 1 1 38 38 VAL HB H 1 1.910 . . 1 . . . . 38 VAL HB . 15433 1 458 . 1 1 38 38 VAL HG11 H 1 0.950 . . 0 . . . . 38 VAL HG11 . 15433 1 459 . 1 1 38 38 VAL HG12 H 1 0.950 . . 0 . . . . 38 VAL HG11 . 15433 1 460 . 1 1 38 38 VAL HG13 H 1 0.950 . . 0 . . . . 38 VAL HG11 . 15433 1 461 . 1 1 38 38 VAL HG21 H 1 0.950 . . 0 . . . . 38 VAL HG21 . 15433 1 462 . 1 1 38 38 VAL HG22 H 1 0.950 . . 0 . . . . 38 VAL HG21 . 15433 1 463 . 1 1 38 38 VAL HG23 H 1 0.950 . . 0 . . . . 38 VAL HG21 . 15433 1 464 . 1 1 38 38 VAL C C 13 176.000 . . 1 . . . . 38 VAL C . 15433 1 465 . 1 1 38 38 VAL CA C 13 61.000 . . 1 . . . . 38 VAL CA . 15433 1 466 . 1 1 38 38 VAL CB C 13 35.800 . . 1 . . . . 38 VAL CB . 15433 1 467 . 1 1 38 38 VAL CG1 C 13 21.000 . . 0 . . . . 38 VAL CG1 . 15433 1 468 . 1 1 38 38 VAL CG2 C 13 21.000 . . 0 . . . . 38 VAL CG2 . 15433 1 469 . 1 1 38 38 VAL N N 15 120.900 . . 1 . . . . 38 VAL N . 15433 1 470 . 1 1 39 39 SER H H 1 9.317 . . 1 . . . . 39 SER HN . 15433 1 471 . 1 1 39 39 SER HA H 1 5.530 . . 1 . . . . 39 SER HA . 15433 1 472 . 1 1 39 39 SER HB2 H 1 3.650 . . 0 . . . . 39 SER HB1 . 15433 1 473 . 1 1 39 39 SER HB3 H 1 3.770 . . 0 . . . . 39 SER HB2 . 15433 1 474 . 1 1 39 39 SER C C 13 172.800 . . 1 . . . . 39 SER C . 15433 1 475 . 1 1 39 39 SER CA C 13 56.900 . . 1 . . . . 39 SER CA . 15433 1 476 . 1 1 39 39 SER CB C 13 65.600 . . 1 . . . . 39 SER CB . 15433 1 477 . 1 1 39 39 SER N N 15 126.472 . . 1 . . . . 39 SER N . 15433 1 478 . 1 1 40 40 GLU H H 1 9.511 . . 1 . . . . 40 GLU HN . 15433 1 479 . 1 1 40 40 GLU HA H 1 5.330 . . 1 . . . . 40 GLU HA . 15433 1 480 . 1 1 40 40 GLU HB2 H 1 1.890 . . 0 . . . . 40 GLU HB1 . 15433 1 481 . 1 1 40 40 GLU HB3 H 1 2.140 . . 0 . . . . 40 GLU HB2 . 15433 1 482 . 1 1 40 40 GLU HG2 H 1 2.080 . . 0 . . . . 40 GLU HG1 . 15433 1 483 . 1 1 40 40 GLU HG3 H 1 2.190 . . 0 . . . . 40 GLU HG2 . 15433 1 484 . 1 1 40 40 GLU C C 13 175.300 . . 1 . . . . 40 GLU C . 15433 1 485 . 1 1 40 40 GLU CA C 13 55.300 . . 1 . . . . 40 GLU CA . 15433 1 486 . 1 1 40 40 GLU CB C 13 33.000 . . 1 . . . . 40 GLU CB . 15433 1 487 . 1 1 40 40 GLU CD C 13 182.800 . . 1 . . . . 40 GLU CD . 15433 1 488 . 1 1 40 40 GLU CG C 13 37.200 . . 1 . . . . 40 GLU CG . 15433 1 489 . 1 1 40 40 GLU N N 15 126.665 . . 1 . . . . 40 GLU N . 15433 1 490 . 1 1 41 41 ILE H H 1 9.640 . . 1 . . . . 41 ILE HN . 15433 1 491 . 1 1 41 41 ILE HA H 1 5.120 . . 1 . . . . 41 ILE HA . 15433 1 492 . 1 1 41 41 ILE HB H 1 2.220 . . 1 . . . . 41 ILE HB . 15433 1 493 . 1 1 41 41 ILE HD11 H 1 0.890 . . 0 . . . . 41 ILE HD11 . 15433 1 494 . 1 1 41 41 ILE HD12 H 1 0.890 . . 0 . . . . 41 ILE HD11 . 15433 1 495 . 1 1 41 41 ILE HD13 H 1 0.890 . . 0 . . . . 41 ILE HD11 . 15433 1 496 . 1 1 41 41 ILE HG12 H 1 0.970 . . 0 . . . . 41 ILE HG11 . 15433 1 497 . 1 1 41 41 ILE HG13 H 1 1.730 . . 0 . . . . 41 ILE HG12 . 15433 1 498 . 1 1 41 41 ILE HG21 H 1 0.790 . . 0 . . . . 41 ILE HG21 . 15433 1 499 . 1 1 41 41 ILE HG22 H 1 0.790 . . 0 . . . . 41 ILE HG21 . 15433 1 500 . 1 1 41 41 ILE HG23 H 1 0.790 . . 0 . . . . 41 ILE HG21 . 15433 1 501 . 1 1 41 41 ILE C C 13 176.700 . . 1 . . . . 41 ILE C . 15433 1 502 . 1 1 41 41 ILE CA C 13 60.500 . . 1 . . . . 41 ILE CA . 15433 1 503 . 1 1 41 41 ILE CB C 13 41.100 . . 1 . . . . 41 ILE CB . 15433 1 504 . 1 1 41 41 ILE CD1 C 13 14.300 . . 1 . . . . 41 ILE CD1 . 15433 1 505 . 1 1 41 41 ILE CG1 C 13 28.400 . . 0 . . . . 41 ILE CG1 . 15433 1 506 . 1 1 41 41 ILE CG2 C 13 18.200 . . 0 . . . . 41 ILE CG2 . 15433 1 507 . 1 1 41 41 ILE N N 15 128.238 . . 1 . . . . 41 ILE N . 15433 1 508 . 1 1 42 42 VAL H H 1 9.345 . . 1 . . . . 42 VAL HN . 15433 1 509 . 1 1 42 42 VAL HA H 1 4.210 . . 1 . . . . 42 VAL HA . 15433 1 510 . 1 1 42 42 VAL HB H 1 2.050 . . 1 . . . . 42 VAL HB . 15433 1 511 . 1 1 42 42 VAL HG11 H 1 0.930 . . 0 . . . . 42 VAL HG11 . 15433 1 512 . 1 1 42 42 VAL HG12 H 1 0.930 . . 0 . . . . 42 VAL HG11 . 15433 1 513 . 1 1 42 42 VAL HG13 H 1 0.930 . . 0 . . . . 42 VAL HG11 . 15433 1 514 . 1 1 42 42 VAL HG21 H 1 0.980 . . 0 . . . . 42 VAL HG21 . 15433 1 515 . 1 1 42 42 VAL HG22 H 1 0.980 . . 0 . . . . 42 VAL HG21 . 15433 1 516 . 1 1 42 42 VAL HG23 H 1 0.980 . . 0 . . . . 42 VAL HG21 . 15433 1 517 . 1 1 42 42 VAL C C 13 173.900 . . 1 . . . . 42 VAL C . 15433 1 518 . 1 1 42 42 VAL CA C 13 63.400 . . 1 . . . . 42 VAL CA . 15433 1 519 . 1 1 42 42 VAL CB C 13 33.500 . . 1 . . . . 42 VAL CB . 15433 1 520 . 1 1 42 42 VAL CG1 C 13 21.000 . . 0 . . . . 42 VAL CG1 . 15433 1 521 . 1 1 42 42 VAL CG2 C 13 20.600 . . 0 . . . . 42 VAL CG2 . 15433 1 522 . 1 1 42 42 VAL N N 15 132.409 . . 1 . . . . 42 VAL N . 15433 1 523 . 1 1 43 43 HIS H H 1 8.956 . . 1 . . . . 43 HIS HN . 15433 1 524 . 1 1 43 43 HIS HA H 1 5.520 . . 1 . . . . 43 HIS HA . 15433 1 525 . 1 1 43 43 HIS HB2 H 1 2.520 . . 0 . . . . 43 HIS HB1 . 15433 1 526 . 1 1 43 43 HIS HB3 H 1 3.310 . . 0 . . . . 43 HIS HB2 . 15433 1 527 . 1 1 43 43 HIS HD1 H 1 6.580 . . 0 . . . . 43 HIS HD1 . 15433 1 528 . 1 1 43 43 HIS HD2 H 1 6.654 . . 0 . . . . 43 HIS HD2 . 15433 1 529 . 1 1 43 43 HIS C C 13 174.100 . . 1 . . . . 43 HIS C . 15433 1 530 . 1 1 43 43 HIS CA C 13 53.100 . . 1 . . . . 43 HIS CA . 15433 1 531 . 1 1 43 43 HIS CB C 13 34.700 . . 1 . . . . 43 HIS CB . 15433 1 532 . 1 1 43 43 HIS CD2 C 13 116.282 . . 1 . . . . 43 HIS CD2 . 15433 1 533 . 1 1 43 43 HIS CG C 13 135.970 . . 1 . . . . 43 HIS CG . 15433 1 534 . 1 1 43 43 HIS N N 15 133.809 . . 1 . . . . 43 HIS N . 15433 1 535 . 1 1 44 44 GLU H H 1 8.927 . . 1 . . . . 44 GLU HN . 15433 1 536 . 1 1 44 44 GLU HA H 1 4.330 . . 1 . . . . 44 GLU HA . 15433 1 537 . 1 1 44 44 GLU HB2 H 1 1.820 . . 0 . . . . 44 GLU HB1 . 15433 1 538 . 1 1 44 44 GLU HB3 H 1 1.890 . . 0 . . . . 44 GLU HB2 . 15433 1 539 . 1 1 44 44 GLU HG2 H 1 2.040 . . 0 . . . . 44 GLU HG1 . 15433 1 540 . 1 1 44 44 GLU HG3 H 1 2.040 . . 0 . . . . 44 GLU HG2 . 15433 1 541 . 1 1 44 44 GLU C C 13 175.900 . . 1 . . . . 44 GLU C . 15433 1 542 . 1 1 44 44 GLU CA C 13 54.900 . . 1 . . . . 44 GLU CA . 15433 1 543 . 1 1 44 44 GLU CB C 13 32.000 . . 1 . . . . 44 GLU CB . 15433 1 544 . 1 1 44 44 GLU CD C 13 184.000 . . 1 . . . . 44 GLU CD . 15433 1 545 . 1 1 44 44 GLU CG C 13 36.200 . . 1 . . . . 44 GLU CG . 15433 1 546 . 1 1 44 44 GLU N N 15 132.610 . . 1 . . . . 44 GLU N . 15433 1 547 . 1 1 45 45 GLY H H 1 8.600 . . 1 . . . . 45 GLY HN . 15433 1 548 . 1 1 45 45 GLY HA2 H 1 3.530 . . 0 . . . . 45 GLY HA1 . 15433 1 549 . 1 1 45 45 GLY HA3 H 1 3.970 . . 0 . . . . 45 GLY HA2 . 15433 1 550 . 1 1 45 45 GLY C C 13 174.400 . . 1 . . . . 45 GLY C . 15433 1 551 . 1 1 45 45 GLY CA C 13 47.500 . . 1 . . . . 45 GLY CA . 15433 1 552 . 1 1 45 45 GLY N N 15 119.400 . . 1 . . . . 45 GLY N . 15433 1 553 . 1 1 46 46 LYS H H 1 8.870 . . 1 . . . . 46 LYS HN . 15433 1 554 . 1 1 46 46 LYS HA H 1 4.570 . . 1 . . . . 46 LYS HA . 15433 1 555 . 1 1 46 46 LYS HB2 H 1 1.850 . . 0 . . . . 46 LYS HB1 . 15433 1 556 . 1 1 46 46 LYS HB3 H 1 2.240 . . 0 . . . . 46 LYS HB2 . 15433 1 557 . 1 1 46 46 LYS HD2 H 1 1.770 . . 0 . . . . 46 LYS HD1 . 15433 1 558 . 1 1 46 46 LYS HD3 H 1 1.770 . . 0 . . . . 46 LYS HD2 . 15433 1 559 . 1 1 46 46 LYS HE2 H 1 3.020 . . 0 . . . . 46 LYS HE2 . 15433 1 560 . 1 1 46 46 LYS HG2 H 1 1.530 . . 0 . . . . 46 LYS HG1 . 15433 1 561 . 1 1 46 46 LYS HG3 H 1 1.590 . . 0 . . . . 46 LYS HG2 . 15433 1 562 . 1 1 46 46 LYS C C 13 175.000 . . 1 . . . . 46 LYS C . 15433 1 563 . 1 1 46 46 LYS CA C 13 56.400 . . 1 . . . . 46 LYS CA . 15433 1 564 . 1 1 46 46 LYS CB C 13 33.700 . . 1 . . . . 46 LYS CB . 15433 1 565 . 1 1 46 46 LYS CD C 13 29.800 . . 1 . . . . 46 LYS CD . 15433 1 566 . 1 1 46 46 LYS CE C 13 42.300 . . 1 . . . . 46 LYS CE . 15433 1 567 . 1 1 46 46 LYS CG C 13 25.800 . . 1 . . . . 46 LYS CG . 15433 1 568 . 1 1 46 46 LYS N N 15 127.700 . . 1 . . . . 46 LYS N . 15433 1 569 . 1 1 47 47 LYS H H 1 8.193 . . 1 . . . . 47 LYS HN . 15433 1 570 . 1 1 47 47 LYS HA H 1 4.760 . . 1 . . . . 47 LYS HA . 15433 1 571 . 1 1 47 47 LYS HB2 H 1 1.900 . . 0 . . . . 47 LYS HB2 . 15433 1 572 . 1 1 47 47 LYS HD2 H 1 1.650 . . 0 . . . . 47 LYS HD2 . 15433 1 573 . 1 1 47 47 LYS HE2 H 1 2.900 . . 0 . . . . 47 LYS HE2 . 15433 1 574 . 1 1 47 47 LYS HG2 H 1 1.410 . . 0 . . . . 47 LYS HG1 . 15433 1 575 . 1 1 47 47 LYS HG3 H 1 1.410 . . 0 . . . . 47 LYS HG2 . 15433 1 576 . 1 1 47 47 LYS C C 13 175.500 . . 1 . . . . 47 LYS C . 15433 1 577 . 1 1 47 47 LYS CA C 13 56.200 . . 1 . . . . 47 LYS CA . 15433 1 578 . 1 1 47 47 LYS CB C 13 33.900 . . 1 . . . . 47 LYS CB . 15433 1 579 . 1 1 47 47 LYS CD C 13 29.200 . . 1 . . . . 47 LYS CD . 15433 1 580 . 1 1 47 47 LYS CE C 13 42.100 . . 1 . . . . 47 LYS CE . 15433 1 581 . 1 1 47 47 LYS CG C 13 25.200 . . 1 . . . . 47 LYS CG . 15433 1 582 . 1 1 47 47 LYS N N 15 122.630 . . 1 . . . . 47 LYS N . 15433 1 583 . 1 1 48 48 VAL H H 1 8.730 . . 1 . . . . 48 VAL HN . 15433 1 584 . 1 1 48 48 VAL HA H 1 4.510 . . 1 . . . . 48 VAL HA . 15433 1 585 . 1 1 48 48 VAL HB H 1 0.540 . . 1 . . . . 48 VAL HB . 15433 1 586 . 1 1 48 48 VAL HG11 H 1 0.390 . . 0 . . . . 48 VAL HG11 . 15433 1 587 . 1 1 48 48 VAL HG12 H 1 0.390 . . 0 . . . . 48 VAL HG11 . 15433 1 588 . 1 1 48 48 VAL HG13 H 1 0.390 . . 0 . . . . 48 VAL HG11 . 15433 1 589 . 1 1 48 48 VAL HG21 H 1 0.460 . . 0 . . . . 48 VAL HG21 . 15433 1 590 . 1 1 48 48 VAL HG22 H 1 0.460 . . 0 . . . . 48 VAL HG21 . 15433 1 591 . 1 1 48 48 VAL HG23 H 1 0.460 . . 0 . . . . 48 VAL HG21 . 15433 1 592 . 1 1 48 48 VAL C C 13 174.100 . . 1 . . . . 48 VAL C . 15433 1 593 . 1 1 48 48 VAL CA C 13 61.300 . . 1 . . . . 48 VAL CA . 15433 1 594 . 1 1 48 48 VAL CB C 13 33.900 . . 1 . . . . 48 VAL CB . 15433 1 595 . 1 1 48 48 VAL CG1 C 13 22.000 . . 0 . . . . 48 VAL CG1 . 15433 1 596 . 1 1 48 48 VAL CG2 C 13 21.400 . . 0 . . . . 48 VAL CG2 . 15433 1 597 . 1 1 48 48 VAL N N 15 127.000 . . 1 . . . . 48 VAL N . 15433 1 598 . 1 1 49 49 LYS H H 1 8.727 . . 1 . . . . 49 LYS HN . 15433 1 599 . 1 1 49 49 LYS HA H 1 4.770 . . 1 . . . . 49 LYS HA . 15433 1 600 . 1 1 49 49 LYS HB2 H 1 1.810 . . 0 . . . . 49 LYS HB2 . 15433 1 601 . 1 1 49 49 LYS HD2 H 1 1.640 . . 0 . . . . 49 LYS HD2 . 15433 1 602 . 1 1 49 49 LYS HE2 H 1 2.880 . . 0 . . . . 49 LYS HE2 . 15433 1 603 . 1 1 49 49 LYS HG2 H 1 1.330 . . 0 . . . . 49 LYS HG1 . 15433 1 604 . 1 1 49 49 LYS HG3 H 1 1.450 . . 0 . . . . 49 LYS HG2 . 15433 1 605 . 1 1 49 49 LYS C C 13 174.700 . . 1 . . . . 49 LYS C . 15433 1 606 . 1 1 49 49 LYS CA C 13 55.300 . . 1 . . . . 49 LYS CA . 15433 1 607 . 1 1 49 49 LYS CB C 13 34.700 . . 1 . . . . 49 LYS CB . 15433 1 608 . 1 1 49 49 LYS CD C 13 30.000 . . 1 . . . . 49 LYS CD . 15433 1 609 . 1 1 49 49 LYS CE C 13 42.200 . . 1 . . . . 49 LYS CE . 15433 1 610 . 1 1 49 49 LYS CG C 13 25.300 . . 1 . . . . 49 LYS CG . 15433 1 611 . 1 1 49 49 LYS N N 15 127.165 . . 1 . . . . 49 LYS N . 15433 1 612 . 1 1 50 50 LEU H H 1 9.037 . . 1 . . . . 50 LEU HN . 15433 1 613 . 1 1 50 50 LEU HA H 1 5.450 . . 1 . . . . 50 LEU HA . 15433 1 614 . 1 1 50 50 LEU HB2 H 1 1.160 . . 0 . . . . 50 LEU HB1 . 15433 1 615 . 1 1 50 50 LEU HB3 H 1 1.730 . . 0 . . . . 50 LEU HB2 . 15433 1 616 . 1 1 50 50 LEU HD11 H 1 0.930 . . 0 . . . . 50 LEU HD11 . 15433 1 617 . 1 1 50 50 LEU HD12 H 1 0.930 . . 0 . . . . 50 LEU HD11 . 15433 1 618 . 1 1 50 50 LEU HD13 H 1 0.930 . . 0 . . . . 50 LEU HD11 . 15433 1 619 . 1 1 50 50 LEU HD21 H 1 0.920 . . 0 . . . . 50 LEU HD21 . 15433 1 620 . 1 1 50 50 LEU HD22 H 1 0.920 . . 0 . . . . 50 LEU HD21 . 15433 1 621 . 1 1 50 50 LEU HD23 H 1 0.920 . . 0 . . . . 50 LEU HD21 . 15433 1 622 . 1 1 50 50 LEU HG H 1 1.530 . . 1 . . . . 50 LEU HG . 15433 1 623 . 1 1 50 50 LEU C C 13 175.500 . . 1 . . . . 50 LEU C . 15433 1 624 . 1 1 50 50 LEU CA C 13 53.400 . . 1 . . . . 50 LEU CA . 15433 1 625 . 1 1 50 50 LEU CB C 13 46.800 . . 1 . . . . 50 LEU CB . 15433 1 626 . 1 1 50 50 LEU CD1 C 13 27.500 . . 0 . . . . 50 LEU CD1 . 15433 1 627 . 1 1 50 50 LEU CD2 C 13 24.000 . . 0 . . . . 50 LEU CD2 . 15433 1 628 . 1 1 50 50 LEU CG C 13 28.100 . . 1 . . . . 50 LEU CG . 15433 1 629 . 1 1 50 50 LEU N N 15 128.940 . . 1 . . . . 50 LEU N . 15433 1 630 . 1 1 51 51 THR H H 1 9.525 . . 1 . . . . 51 THR HN . 15433 1 631 . 1 1 51 51 THR HA H 1 5.230 . . 1 . . . . 51 THR HA . 15433 1 632 . 1 1 51 51 THR HB H 1 4.050 . . 1 . . . . 51 THR HB . 15433 1 633 . 1 1 51 51 THR HG21 H 1 1.120 . . 0 . . . . 51 THR HG21 . 15433 1 634 . 1 1 51 51 THR HG22 H 1 1.120 . . 0 . . . . 51 THR HG21 . 15433 1 635 . 1 1 51 51 THR HG23 H 1 1.120 . . 0 . . . . 51 THR HG21 . 15433 1 636 . 1 1 51 51 THR C C 13 173.800 . . 1 . . . . 51 THR C . 15433 1 637 . 1 1 51 51 THR CA C 13 62.400 . . 1 . . . . 51 THR CA . 15433 1 638 . 1 1 51 51 THR CB C 13 70.900 . . 1 . . . . 51 THR CB . 15433 1 639 . 1 1 51 51 THR CG2 C 13 22.600 . . 1 . . . . 51 THR CG2 . 15433 1 640 . 1 1 51 51 THR N N 15 129.173 . . 1 . . . . 51 THR N . 15433 1 641 . 1 1 52 52 ILE H H 1 9.095 . . 1 . . . . 52 ILE HN . 15433 1 642 . 1 1 52 52 ILE HA H 1 4.940 . . 1 . . . . 52 ILE HA . 15433 1 643 . 1 1 52 52 ILE HB H 1 1.780 . . 1 . . . . 52 ILE HB . 15433 1 644 . 1 1 52 52 ILE HD11 H 1 0.870 . . 0 . . . . 52 ILE HD11 . 15433 1 645 . 1 1 52 52 ILE HD12 H 1 0.870 . . 0 . . . . 52 ILE HD11 . 15433 1 646 . 1 1 52 52 ILE HD13 H 1 0.870 . . 0 . . . . 52 ILE HD11 . 15433 1 647 . 1 1 52 52 ILE HG12 H 1 1.410 . . 0 . . . . 52 ILE HG11 . 15433 1 648 . 1 1 52 52 ILE HG13 H 1 1.530 . . 0 . . . . 52 ILE HG12 . 15433 1 649 . 1 1 52 52 ILE HG21 H 1 1.040 . . 0 . . . . 52 ILE HG21 . 15433 1 650 . 1 1 52 52 ILE HG22 H 1 1.040 . . 0 . . . . 52 ILE HG21 . 15433 1 651 . 1 1 52 52 ILE HG23 H 1 1.040 . . 0 . . . . 52 ILE HG21 . 15433 1 652 . 1 1 52 52 ILE C C 13 174.500 . . 1 . . . . 52 ILE C . 15433 1 653 . 1 1 52 52 ILE CA C 13 60.600 . . 1 . . . . 52 ILE CA . 15433 1 654 . 1 1 52 52 ILE CB C 13 41.200 . . 1 . . . . 52 ILE CB . 15433 1 655 . 1 1 52 52 ILE CD1 C 13 14.400 . . 1 . . . . 52 ILE CD1 . 15433 1 656 . 1 1 52 52 ILE CG1 C 13 27.200 . . 0 . . . . 52 ILE CG1 . 15433 1 657 . 1 1 52 52 ILE CG2 C 13 17.300 . . 0 . . . . 52 ILE CG2 . 15433 1 658 . 1 1 52 52 ILE N N 15 132.275 . . 1 . . . . 52 ILE N . 15433 1 659 . 1 1 53 53 THR H H 1 9.163 . . 1 . . . . 53 THR HN . 15433 1 660 . 1 1 53 53 THR HA H 1 5.110 . . 1 . . . . 53 THR HA . 15433 1 661 . 1 1 53 53 THR HB H 1 3.960 . . 1 . . . . 53 THR HB . 15433 1 662 . 1 1 53 53 THR HG21 H 1 1.150 . . 0 . . . . 53 THR HG21 . 15433 1 663 . 1 1 53 53 THR HG22 H 1 1.150 . . 0 . . . . 53 THR HG21 . 15433 1 664 . 1 1 53 53 THR HG23 H 1 1.150 . . 0 . . . . 53 THR HG21 . 15433 1 665 . 1 1 53 53 THR C C 13 174.000 . . 1 . . . . 53 THR C . 15433 1 666 . 1 1 53 53 THR CA C 13 62.700 . . 1 . . . . 53 THR CA . 15433 1 667 . 1 1 53 53 THR CB C 13 70.500 . . 1 . . . . 53 THR CB . 15433 1 668 . 1 1 53 53 THR CG2 C 13 21.500 . . 1 . . . . 53 THR CG2 . 15433 1 669 . 1 1 53 53 THR N N 15 125.688 . . 1 . . . . 53 THR N . 15433 1 670 . 1 1 54 54 TYR H H 1 9.393 . . 1 . . . . 54 TYR HN . 15433 1 671 . 1 1 54 54 TYR HA H 1 4.460 . . 1 . . . . 54 TYR HA . 15433 1 672 . 1 1 54 54 TYR HB2 H 1 2.760 . . 0 . . . . 54 TYR HB1 . 15433 1 673 . 1 1 54 54 TYR HB3 H 1 2.910 . . 0 . . . . 54 TYR HB2 . 15433 1 674 . 1 1 54 54 TYR HD1 H 1 6.918 . . 0 . . . . 54 TYR HD1 . 15433 1 675 . 1 1 54 54 TYR HD2 H 1 6.918 . . 0 . . . . 54 TYR HD2 . 15433 1 676 . 1 1 54 54 TYR HE1 H 1 6.838 . . 0 . . . . 54 TYR HE1 . 15433 1 677 . 1 1 54 54 TYR HE2 H 1 6.838 . . 0 . . . . 54 TYR HE2 . 15433 1 678 . 1 1 54 54 TYR C C 13 175.200 . . 1 . . . . 54 TYR C . 15433 1 679 . 1 1 54 54 TYR CA C 13 57.300 . . 1 . . . . 54 TYR CA . 15433 1 680 . 1 1 54 54 TYR CB C 13 41.700 . . 1 . . . . 54 TYR CB . 15433 1 681 . 1 1 54 54 TYR CE1 C 13 118.568 . . 0 . . . . 54 TYR CE1 . 15433 1 682 . 1 1 54 54 TYR CE2 C 13 118.568 . . 0 . . . . 54 TYR CE2 . 15433 1 683 . 1 1 54 54 TYR CZ C 13 157.876 . . 1 . . . . 54 TYR CZ . 15433 1 684 . 1 1 54 54 TYR N N 15 133.486 . . 1 . . . . 54 TYR N . 15433 1 685 . 1 1 55 55 GLY H H 1 8.743 . . 1 . . . . 55 GLY HN . 15433 1 686 . 1 1 55 55 GLY HA2 H 1 3.590 . . 0 . . . . 55 GLY HA1 . 15433 1 687 . 1 1 55 55 GLY HA3 H 1 4.050 . . 0 . . . . 55 GLY HA2 . 15433 1 688 . 1 1 55 55 GLY C C 13 174.800 . . 1 . . . . 55 GLY C . 15433 1 689 . 1 1 55 55 GLY CA C 13 47.300 . . 1 . . . . 55 GLY CA . 15433 1 690 . 1 1 55 55 GLY N N 15 115.454 . . 1 . . . . 55 GLY N . 15433 1 691 . 1 1 56 56 SER H H 1 9.080 . . 1 . . . . 56 SER HN . 15433 1 692 . 1 1 56 56 SER HA H 1 4.340 . . 1 . . . . 56 SER HA . 15433 1 693 . 1 1 56 56 SER HB2 H 1 3.900 . . 0 . . . . 56 SER HB1 . 15433 1 694 . 1 1 56 56 SER HB3 H 1 4.040 . . 0 . . . . 56 SER HB2 . 15433 1 695 . 1 1 56 56 SER C C 13 174.200 . . 1 . . . . 56 SER C . 15433 1 696 . 1 1 56 56 SER CA C 13 59.200 . . 1 . . . . 56 SER CA . 15433 1 697 . 1 1 56 56 SER CB C 13 64.100 . . 1 . . . . 56 SER CB . 15433 1 698 . 1 1 56 56 SER N N 15 124.900 . . 1 . . . . 56 SER N . 15433 1 699 . 1 1 57 57 LYS H H 1 8.313 . . 1 . . . . 57 LYS HN . 15433 1 700 . 1 1 57 57 LYS HA H 1 4.500 . . 1 . . . . 57 LYS HA . 15433 1 701 . 1 1 57 57 LYS HB2 H 1 1.860 . . 0 . . . . 57 LYS HB1 . 15433 1 702 . 1 1 57 57 LYS HB3 H 1 2.150 . . 0 . . . . 57 LYS HB2 . 15433 1 703 . 1 1 57 57 LYS HD2 H 1 1.710 . . 0 . . . . 57 LYS HD2 . 15433 1 704 . 1 1 57 57 LYS HE2 H 1 2.990 . . 0 . . . . 57 LYS HE2 . 15433 1 705 . 1 1 57 57 LYS HG2 H 1 1.380 . . 0 . . . . 57 LYS HG1 . 15433 1 706 . 1 1 57 57 LYS HG3 H 1 1.380 . . 0 . . . . 57 LYS HG2 . 15433 1 707 . 1 1 57 57 LYS C C 13 173.700 . . 1 . . . . 57 LYS C . 15433 1 708 . 1 1 57 57 LYS CA C 13 55.600 . . 1 . . . . 57 LYS CA . 15433 1 709 . 1 1 57 57 LYS CB C 13 33.100 . . 1 . . . . 57 LYS CB . 15433 1 710 . 1 1 57 57 LYS CD C 13 28.800 . . 1 . . . . 57 LYS CD . 15433 1 711 . 1 1 57 57 LYS CE C 13 42.400 . . 1 . . . . 57 LYS CE . 15433 1 712 . 1 1 57 57 LYS CG C 13 25.100 . . 1 . . . . 57 LYS CG . 15433 1 713 . 1 1 57 57 LYS N N 15 127.762 . . 1 . . . . 57 LYS N . 15433 1 714 . 1 1 58 58 VAL H H 1 8.313 . . 1 . . . . 58 VAL HN . 15433 1 715 . 1 1 58 58 VAL HA H 1 5.000 . . 1 . . . . 58 VAL HA . 15433 1 716 . 1 1 58 58 VAL HB H 1 1.860 . . 1 . . . . 58 VAL HB . 15433 1 717 . 1 1 58 58 VAL HG11 H 1 0.670 . . 0 . . . . 58 VAL HG11 . 15433 1 718 . 1 1 58 58 VAL HG12 H 1 0.670 . . 0 . . . . 58 VAL HG11 . 15433 1 719 . 1 1 58 58 VAL HG13 H 1 0.670 . . 0 . . . . 58 VAL HG11 . 15433 1 720 . 1 1 58 58 VAL HG21 H 1 0.890 . . 0 . . . . 58 VAL HG21 . 15433 1 721 . 1 1 58 58 VAL HG22 H 1 0.890 . . 0 . . . . 58 VAL HG21 . 15433 1 722 . 1 1 58 58 VAL HG23 H 1 0.890 . . 0 . . . . 58 VAL HG21 . 15433 1 723 . 1 1 58 58 VAL C C 13 176.200 . . 1 . . . . 58 VAL C . 15433 1 724 . 1 1 58 58 VAL CA C 13 61.100 . . 1 . . . . 58 VAL CA . 15433 1 725 . 1 1 58 58 VAL CB C 13 34.500 . . 1 . . . . 58 VAL CB . 15433 1 726 . 1 1 58 58 VAL CG1 C 13 21.400 . . 0 . . . . 58 VAL CG1 . 15433 1 727 . 1 1 58 58 VAL CG2 C 13 21.400 . . 0 . . . . 58 VAL CG2 . 15433 1 728 . 1 1 58 58 VAL N N 15 128.829 . . 1 . . . . 58 VAL N . 15433 1 729 . 1 1 59 59 ILE H H 1 9.233 . . 1 . . . . 59 ILE HN . 15433 1 730 . 1 1 59 59 ILE HA H 1 4.430 . . 1 . . . . 59 ILE HA . 15433 1 731 . 1 1 59 59 ILE HB H 1 1.700 . . 1 . . . . 59 ILE HB . 15433 1 732 . 1 1 59 59 ILE HD11 H 1 0.810 . . 0 . . . . 59 ILE HD11 . 15433 1 733 . 1 1 59 59 ILE HD12 H 1 0.810 . . 0 . . . . 59 ILE HD11 . 15433 1 734 . 1 1 59 59 ILE HD13 H 1 0.810 . . 0 . . . . 59 ILE HD11 . 15433 1 735 . 1 1 59 59 ILE HG12 H 1 1.470 . . 0 . . . . 59 ILE HG11 . 15433 1 736 . 1 1 59 59 ILE HG13 H 1 1.550 . . 0 . . . . 59 ILE HG12 . 15433 1 737 . 1 1 59 59 ILE HG21 H 1 0.720 . . 0 . . . . 59 ILE HG21 . 15433 1 738 . 1 1 59 59 ILE HG22 H 1 0.720 . . 0 . . . . 59 ILE HG21 . 15433 1 739 . 1 1 59 59 ILE HG23 H 1 0.720 . . 0 . . . . 59 ILE HG21 . 15433 1 740 . 1 1 59 59 ILE C C 13 175.700 . . 1 . . . . 59 ILE C . 15433 1 741 . 1 1 59 59 ILE CA C 13 60.500 . . 1 . . . . 59 ILE CA . 15433 1 742 . 1 1 59 59 ILE CB C 13 41.100 . . 1 . . . . 59 ILE CB . 15433 1 743 . 1 1 59 59 ILE CD1 C 13 14.300 . . 1 . . . . 59 ILE CD1 . 15433 1 744 . 1 1 59 59 ILE CG1 C 13 28.400 . . 0 . . . . 59 ILE CG1 . 15433 1 745 . 1 1 59 59 ILE CG2 C 13 18.500 . . 0 . . . . 59 ILE CG2 . 15433 1 746 . 1 1 59 59 ILE N N 15 129.008 . . 1 . . . . 59 ILE N . 15433 1 747 . 1 1 60 60 HIS H H 1 9.350 . . 1 . . . . 60 HIS HN . 15433 1 748 . 1 1 60 60 HIS HA H 1 5.380 . . 1 . . . . 60 HIS HA . 15433 1 749 . 1 1 60 60 HIS HB2 H 1 2.940 . . 0 . . . . 60 HIS HB1 . 15433 1 750 . 1 1 60 60 HIS HB3 H 1 3.140 . . 0 . . . . 60 HIS HB2 . 15433 1 751 . 1 1 60 60 HIS HD1 H 1 6.990 . . 0 . . . . 60 HIS HD1 . 15433 1 752 . 1 1 60 60 HIS HD2 H 1 7.069 . . 0 . . . . 60 HIS HD2 . 15433 1 753 . 1 1 60 60 HIS C C 13 173.600 . . 1 . . . . 60 HIS C . 15433 1 754 . 1 1 60 60 HIS CA C 13 55.900 . . 1 . . . . 60 HIS CA . 15433 1 755 . 1 1 60 60 HIS CB C 13 32.800 . . 1 . . . . 60 HIS CB . 15433 1 756 . 1 1 60 60 HIS CD2 C 13 120.859 . . 1 . . . . 60 HIS CD2 . 15433 1 757 . 1 1 60 60 HIS CG C 13 132.020 . . 1 . . . . 60 HIS CG . 15433 1 758 . 1 1 60 60 HIS N N 15 132.400 . . 1 . . . . 60 HIS N . 15433 1 759 . 1 1 61 61 ASN H H 1 8.663 . . 1 . . . . 61 ASN HN . 15433 1 760 . 1 1 61 61 ASN HA H 1 5.170 . . 1 . . . . 61 ASN HA . 15433 1 761 . 1 1 61 61 ASN HB2 H 1 2.490 . . 0 . . . . 61 ASN HB1 . 15433 1 762 . 1 1 61 61 ASN HB3 H 1 2.490 . . 0 . . . . 61 ASN HB2 . 15433 1 763 . 1 1 61 61 ASN HD21 H 1 7.830 . . 0 . . . . 61 ASN HD21 . 15433 1 764 . 1 1 61 61 ASN HD22 H 1 7.610 . . 0 . . . . 61 ASN HD22 . 15433 1 765 . 1 1 61 61 ASN C C 13 173.200 . . 1 . . . . 61 ASN C . 15433 1 766 . 1 1 61 61 ASN CA C 13 53.400 . . 1 . . . . 61 ASN CA . 15433 1 767 . 1 1 61 61 ASN CB C 13 45.600 . . 1 . . . . 61 ASN CB . 15433 1 768 . 1 1 61 61 ASN CG C 13 177.200 . . 1 . . . . 61 ASN CG . 15433 1 769 . 1 1 61 61 ASN N N 15 123.916 . . 1 . . . . 61 ASN N . 15433 1 770 . 1 1 61 61 ASN ND2 N 15 116.000 . . 1 . . . . 61 ASN ND2 . 15433 1 771 . 1 1 62 62 GLU H H 1 8.945 . . 1 . . . . 62 GLU HN . 15433 1 772 . 1 1 62 62 GLU HA H 1 5.210 . . 1 . . . . 62 GLU HA . 15433 1 773 . 1 1 62 62 GLU HB2 H 1 2.000 . . 0 . . . . 62 GLU HB1 . 15433 1 774 . 1 1 62 62 GLU HB3 H 1 2.000 . . 0 . . . . 62 GLU HB2 . 15433 1 775 . 1 1 62 62 GLU HG2 H 1 2.110 . . 0 . . . . 62 GLU HG1 . 15433 1 776 . 1 1 62 62 GLU HG3 H 1 2.190 . . 0 . . . . 62 GLU HG2 . 15433 1 777 . 1 1 62 62 GLU C C 13 174.100 . . 1 . . . . 62 GLU C . 15433 1 778 . 1 1 62 62 GLU CA C 13 55.500 . . 1 . . . . 62 GLU CA . 15433 1 779 . 1 1 62 62 GLU CB C 13 32.900 . . 1 . . . . 62 GLU CB . 15433 1 780 . 1 1 62 62 GLU CD C 13 183.600 . . 1 . . . . 62 GLU CD . 15433 1 781 . 1 1 62 62 GLU CG C 13 36.400 . . 1 . . . . 62 GLU CG . 15433 1 782 . 1 1 62 62 GLU N N 15 122.407 . . 1 . . . . 62 GLU N . 15433 1 783 . 1 1 63 63 PHE H H 1 8.617 . . 1 . . . . 63 PHE HN . 15433 1 784 . 1 1 63 63 PHE HA H 1 5.100 . . 1 . . . . 63 PHE HA . 15433 1 785 . 1 1 63 63 PHE HB2 H 1 3.220 . . 0 . . . . 63 PHE HB2 . 15433 1 786 . 1 1 63 63 PHE HD1 H 1 6.648 . . 0 . . . . 63 PHE HD1 . 15433 1 787 . 1 1 63 63 PHE HD2 H 1 6.648 . . 0 . . . . 63 PHE HD2 . 15433 1 788 . 1 1 63 63 PHE HE1 H 1 6.866 . . 0 . . . . 63 PHE HE1 . 15433 1 789 . 1 1 63 63 PHE HE2 H 1 6.866 . . 0 . . . . 63 PHE HE2 . 15433 1 790 . 1 1 63 63 PHE C C 13 173.000 . . 1 . . . . 63 PHE C . 15433 1 791 . 1 1 63 63 PHE CA C 13 56.100 . . 1 . . . . 63 PHE CA . 15433 1 792 . 1 1 63 63 PHE CB C 13 41.300 . . 1 . . . . 63 PHE CB . 15433 1 793 . 1 1 63 63 PHE CD1 C 13 132.597 . . 0 . . . . 63 PHE CD1 . 15433 1 794 . 1 1 63 63 PHE CD2 C 13 132.597 . . 0 . . . . 63 PHE CD2 . 15433 1 795 . 1 1 63 63 PHE CE1 C 13 130.810 . . 0 . . . . 63 PHE CE1 . 15433 1 796 . 1 1 63 63 PHE CE2 C 13 130.810 . . 0 . . . . 63 PHE CE2 . 15433 1 797 . 1 1 63 63 PHE CG C 13 138.640 . . 1 . . . . 63 PHE CG . 15433 1 798 . 1 1 63 63 PHE CZ C 13 128.712 . . 1 . . . . 63 PHE CZ . 15433 1 799 . 1 1 63 63 PHE N N 15 120.859 . . 1 . . . . 63 PHE N . 15433 1 800 . 1 1 64 64 THR H H 1 8.601 . . 1 . . . . 64 THR HN . 15433 1 801 . 1 1 64 64 THR HA H 1 5.010 . . 1 . . . . 64 THR HA . 15433 1 802 . 1 1 64 64 THR HB H 1 3.900 . . 1 . . . . 64 THR HB . 15433 1 803 . 1 1 64 64 THR HG21 H 1 1.210 . . 0 . . . . 64 THR HG21 . 15433 1 804 . 1 1 64 64 THR HG22 H 1 1.210 . . 0 . . . . 64 THR HG21 . 15433 1 805 . 1 1 64 64 THR HG23 H 1 1.210 . . 0 . . . . 64 THR HG21 . 15433 1 806 . 1 1 64 64 THR C C 13 175.500 . . 1 . . . . 64 THR C . 15433 1 807 . 1 1 64 64 THR CA C 13 61.300 . . 1 . . . . 64 THR CA . 15433 1 808 . 1 1 64 64 THR CB C 13 70.400 . . 1 . . . . 64 THR CB . 15433 1 809 . 1 1 64 64 THR CG2 C 13 22.000 . . 1 . . . . 64 THR CG2 . 15433 1 810 . 1 1 64 64 THR N N 15 119.817 . . 1 . . . . 64 THR N . 15433 1 811 . 1 1 65 65 LEU H H 1 9.624 . . 1 . . . . 65 LEU HN . 15433 1 812 . 1 1 65 65 LEU HA H 1 4.420 . . 1 . . . . 65 LEU HA . 15433 1 813 . 1 1 65 65 LEU HB2 H 1 1.600 . . 0 . . . . 65 LEU HB1 . 15433 1 814 . 1 1 65 65 LEU HB3 H 1 1.900 . . 0 . . . . 65 LEU HB2 . 15433 1 815 . 1 1 65 65 LEU HD11 H 1 0.980 . . 0 . . . . 65 LEU HD11 . 15433 1 816 . 1 1 65 65 LEU HD12 H 1 0.980 . . 0 . . . . 65 LEU HD11 . 15433 1 817 . 1 1 65 65 LEU HD13 H 1 0.980 . . 0 . . . . 65 LEU HD11 . 15433 1 818 . 1 1 65 65 LEU HD21 H 1 0.940 . . 0 . . . . 65 LEU HD21 . 15433 1 819 . 1 1 65 65 LEU HD22 H 1 0.940 . . 0 . . . . 65 LEU HD21 . 15433 1 820 . 1 1 65 65 LEU HD23 H 1 0.940 . . 0 . . . . 65 LEU HD21 . 15433 1 821 . 1 1 65 65 LEU HG H 1 1.840 . . 1 . . . . 65 LEU HG . 15433 1 822 . 1 1 65 65 LEU C C 13 178.200 . . 1 . . . . 65 LEU C . 15433 1 823 . 1 1 65 65 LEU CA C 13 57.000 . . 1 . . . . 65 LEU CA . 15433 1 824 . 1 1 65 65 LEU CB C 13 42.400 . . 1 . . . . 65 LEU CB . 15433 1 825 . 1 1 65 65 LEU CD1 C 13 26.300 . . 0 . . . . 65 LEU CD1 . 15433 1 826 . 1 1 65 65 LEU CD2 C 13 26.300 . . 0 . . . . 65 LEU CD2 . 15433 1 827 . 1 1 65 65 LEU CG C 13 27.700 . . 1 . . . . 65 LEU CG . 15433 1 828 . 1 1 65 65 LEU N N 15 131.787 . . 1 . . . . 65 LEU N . 15433 1 829 . 1 1 66 66 GLY H H 1 9.491 . . 1 . . . . 66 GLY HN . 15433 1 830 . 1 1 66 66 GLY HA2 H 1 3.450 . . 0 . . . . 66 GLY HA1 . 15433 1 831 . 1 1 66 66 GLY HA3 H 1 4.400 . . 0 . . . . 66 GLY HA2 . 15433 1 832 . 1 1 66 66 GLY C C 13 173.600 . . 1 . . . . 66 GLY C . 15433 1 833 . 1 1 66 66 GLY CA C 13 45.800 . . 1 . . . . 66 GLY CA . 15433 1 834 . 1 1 66 66 GLY N N 15 111.163 . . 1 . . . . 66 GLY N . 15433 1 835 . 1 1 67 67 GLU H H 1 7.890 . . 1 . . . . 67 GLU HN . 15433 1 836 . 1 1 67 67 GLU HA H 1 4.800 . . 1 . . . . 67 GLU HA . 15433 1 837 . 1 1 67 67 GLU HB2 H 1 1.880 . . 0 . . . . 67 GLU HB1 . 15433 1 838 . 1 1 67 67 GLU HB3 H 1 2.170 . . 0 . . . . 67 GLU HB2 . 15433 1 839 . 1 1 67 67 GLU HG2 H 1 2.180 . . 0 . . . . 67 GLU HG1 . 15433 1 840 . 1 1 67 67 GLU HG3 H 1 2.230 . . 0 . . . . 67 GLU HG2 . 15433 1 841 . 1 1 67 67 GLU C C 13 175.400 . . 1 . . . . 67 GLU C . 15433 1 842 . 1 1 67 67 GLU CA C 13 54.400 . . 1 . . . . 67 GLU CA . 15433 1 843 . 1 1 67 67 GLU CB C 13 32.600 . . 1 . . . . 67 GLU CB . 15433 1 844 . 1 1 67 67 GLU CD C 13 183.400 . . 1 . . . . 67 GLU CD . 15433 1 845 . 1 1 67 67 GLU CG C 13 36.100 . . 1 . . . . 67 GLU CG . 15433 1 846 . 1 1 67 67 GLU N N 15 121.200 . . 1 . . . . 67 GLU N . 15433 1 847 . 1 1 68 68 GLU H H 1 8.941 . . 1 . . . . 68 GLU HN . 15433 1 848 . 1 1 68 68 GLU HA H 1 4.450 . . 1 . . . . 68 GLU HA . 15433 1 849 . 1 1 68 68 GLU HB2 H 1 1.940 . . 0 . . . . 68 GLU HB1 . 15433 1 850 . 1 1 68 68 GLU HB3 H 1 2.020 . . 0 . . . . 68 GLU HB2 . 15433 1 851 . 1 1 68 68 GLU HG2 H 1 2.120 . . 0 . . . . 68 GLU HG1 . 15433 1 852 . 1 1 68 68 GLU HG3 H 1 2.120 . . 0 . . . . 68 GLU HG2 . 15433 1 853 . 1 1 68 68 GLU C C 13 176.000 . . 1 . . . . 68 GLU C . 15433 1 854 . 1 1 68 68 GLU CA C 13 58.000 . . 1 . . . . 68 GLU CA . 15433 1 855 . 1 1 68 68 GLU CB C 13 30.500 . . 1 . . . . 68 GLU CB . 15433 1 856 . 1 1 68 68 GLU CD C 13 183.600 . . 1 . . . . 68 GLU CD . 15433 1 857 . 1 1 68 68 GLU CG C 13 37.800 . . 1 . . . . 68 GLU CG . 15433 1 858 . 1 1 68 68 GLU N N 15 126.652 . . 1 . . . . 68 GLU N . 15433 1 859 . 1 1 69 69 CYS H H 1 9.285 . . 1 . . . . 69 CYS HN . 15433 1 860 . 1 1 69 69 CYS HA H 1 5.140 . . 1 . . . . 69 CYS HA . 15433 1 861 . 1 1 69 69 CYS HB2 H 1 3.070 . . 0 . . . . 69 CYS HB1 . 15433 1 862 . 1 1 69 69 CYS HB3 H 1 3.440 . . 0 . . . . 69 CYS HB2 . 15433 1 863 . 1 1 69 69 CYS C C 13 172.500 . . 1 . . . . 69 CYS C . 15433 1 864 . 1 1 69 69 CYS CA C 13 56.700 . . 1 . . . . 69 CYS CA . 15433 1 865 . 1 1 69 69 CYS CB C 13 32.600 . . 1 . . . . 69 CYS CB . 15433 1 866 . 1 1 69 69 CYS N N 15 126.587 . . 1 . . . . 69 CYS N . 15433 1 867 . 1 1 70 70 GLU H H 1 8.410 . . 1 . . . . 70 GLU HN . 15433 1 868 . 1 1 70 70 GLU HA H 1 4.980 . . 1 . . . . 70 GLU HA . 15433 1 869 . 1 1 70 70 GLU HB2 H 1 1.890 . . 0 . . . . 70 GLU HB2 . 15433 1 870 . 1 1 70 70 GLU HG2 H 1 1.980 . . 0 . . . . 70 GLU HG1 . 15433 1 871 . 1 1 70 70 GLU HG3 H 1 2.160 . . 0 . . . . 70 GLU HG2 . 15433 1 872 . 1 1 70 70 GLU C C 13 175.600 . . 1 . . . . 70 GLU C . 15433 1 873 . 1 1 70 70 GLU CA C 13 55.700 . . 1 . . . . 70 GLU CA . 15433 1 874 . 1 1 70 70 GLU CB C 13 32.100 . . 1 . . . . 70 GLU CB . 15433 1 875 . 1 1 70 70 GLU CD C 13 183.500 . . 1 . . . . 70 GLU CD . 15433 1 876 . 1 1 70 70 GLU CG C 13 38.100 . . 1 . . . . 70 GLU CG . 15433 1 877 . 1 1 70 70 GLU N N 15 121.768 . . 1 . . . . 70 GLU N . 15433 1 878 . 1 1 71 71 LEU H H 1 9.084 . . 1 . . . . 71 LEU HN . 15433 1 879 . 1 1 71 71 LEU HA H 1 4.630 . . 1 . . . . 71 LEU HA . 15433 1 880 . 1 1 71 71 LEU HB2 H 1 0.830 . . 0 . . . . 71 LEU HB1 . 15433 1 881 . 1 1 71 71 LEU HB3 H 1 1.230 . . 0 . . . . 71 LEU HB2 . 15433 1 882 . 1 1 71 71 LEU HD11 H 1 0.170 . . 0 . . . . 71 LEU HD11 . 15433 1 883 . 1 1 71 71 LEU HD12 H 1 0.170 . . 0 . . . . 71 LEU HD11 . 15433 1 884 . 1 1 71 71 LEU HD13 H 1 0.170 . . 0 . . . . 71 LEU HD11 . 15433 1 885 . 1 1 71 71 LEU HD21 H 1 0.470 . . 0 . . . . 71 LEU HD21 . 15433 1 886 . 1 1 71 71 LEU HD22 H 1 0.470 . . 0 . . . . 71 LEU HD21 . 15433 1 887 . 1 1 71 71 LEU HD23 H 1 0.470 . . 0 . . . . 71 LEU HD21 . 15433 1 888 . 1 1 71 71 LEU HG H 1 1.390 . . 1 . . . . 71 LEU HG . 15433 1 889 . 1 1 71 71 LEU C C 13 175.400 . . 1 . . . . 71 LEU C . 15433 1 890 . 1 1 71 71 LEU CA C 13 53.200 . . 1 . . . . 71 LEU CA . 15433 1 891 . 1 1 71 71 LEU CB C 13 44.400 . . 1 . . . . 71 LEU CB . 15433 1 892 . 1 1 71 71 LEU CD1 C 13 25.500 . . 0 . . . . 71 LEU CD1 . 15433 1 893 . 1 1 71 71 LEU CD2 C 13 23.400 . . 0 . . . . 71 LEU CD2 . 15433 1 894 . 1 1 71 71 LEU CG C 13 26.400 . . 1 . . . . 71 LEU CG . 15433 1 895 . 1 1 71 71 LEU N N 15 127.828 . . 1 . . . . 71 LEU N . 15433 1 896 . 1 1 72 72 GLU H H 1 9.823 . . 1 . . . . 72 GLU HN . 15433 1 897 . 1 1 72 72 GLU HA H 1 4.820 . . 1 . . . . 72 GLU HA . 15433 1 898 . 1 1 72 72 GLU HB2 H 1 1.930 . . 0 . . . . 72 GLU HB2 . 15433 1 899 . 1 1 72 72 GLU HG2 H 1 2.080 . . 0 . . . . 72 GLU HG1 . 15433 1 900 . 1 1 72 72 GLU HG3 H 1 2.450 . . 0 . . . . 72 GLU HG2 . 15433 1 901 . 1 1 72 72 GLU C C 13 176.500 . . 1 . . . . 72 GLU C . 15433 1 902 . 1 1 72 72 GLU CA C 13 55.600 . . 1 . . . . 72 GLU CA . 15433 1 903 . 1 1 72 72 GLU CB C 13 31.700 . . 1 . . . . 72 GLU CB . 15433 1 904 . 1 1 72 72 GLU CD C 13 183.400 . . 1 . . . . 72 GLU CD . 15433 1 905 . 1 1 72 72 GLU CG C 13 36.900 . . 1 . . . . 72 GLU CG . 15433 1 906 . 1 1 72 72 GLU N N 15 126.527 . . 1 . . . . 72 GLU N . 15433 1 907 . 1 1 73 73 THR H H 1 8.254 . . 1 . . . . 73 THR HN . 15433 1 908 . 1 1 73 73 THR HA H 1 4.500 . . 1 . . . . 73 THR HA . 15433 1 909 . 1 1 73 73 THR HB H 1 4.540 . . 1 . . . . 73 THR HB . 15433 1 910 . 1 1 73 73 THR HG21 H 1 1.040 . . 0 . . . . 73 THR HG21 . 15433 1 911 . 1 1 73 73 THR HG22 H 1 1.040 . . 0 . . . . 73 THR HG21 . 15433 1 912 . 1 1 73 73 THR HG23 H 1 1.040 . . 0 . . . . 73 THR HG21 . 15433 1 913 . 1 1 73 73 THR C C 13 176.100 . . 1 . . . . 73 THR C . 15433 1 914 . 1 1 73 73 THR CA C 13 60.600 . . 1 . . . . 73 THR CA . 15433 1 915 . 1 1 73 73 THR CB C 13 70.400 . . 1 . . . . 73 THR CB . 15433 1 916 . 1 1 73 73 THR CG2 C 13 21.500 . . 1 . . . . 73 THR CG2 . 15433 1 917 . 1 1 73 73 THR N N 15 113.715 . . 1 . . . . 73 THR N . 15433 1 918 . 1 1 74 74 MET H H 1 8.324 . . 1 . . . . 74 MET HN . 15433 1 919 . 1 1 74 74 MET HA H 1 4.220 . . 1 . . . . 74 MET HA . 15433 1 920 . 1 1 74 74 MET HB2 H 1 1.920 . . 0 . . . . 74 MET HB1 . 15433 1 921 . 1 1 74 74 MET HB3 H 1 2.140 . . 0 . . . . 74 MET HB2 . 15433 1 922 . 1 1 74 74 MET HG2 H 1 2.470 . . 0 . . . . 74 MET HG1 . 15433 1 923 . 1 1 74 74 MET HG3 H 1 2.580 . . 0 . . . . 74 MET HG2 . 15433 1 924 . 1 1 74 74 MET C C 13 175.500 . . 1 . . . . 74 MET C . 15433 1 925 . 1 1 74 74 MET CA C 13 59.100 . . 1 . . . . 74 MET CA . 15433 1 926 . 1 1 74 74 MET CB C 13 31.000 . . 1 . . . . 74 MET CB . 15433 1 927 . 1 1 74 74 MET CG C 13 33.300 . . 1 . . . . 74 MET CG . 15433 1 928 . 1 1 74 74 MET N N 15 116.902 . . 1 . . . . 74 MET N . 15433 1 929 . 1 1 75 75 THR H H 1 7.830 . . 1 . . . . 75 THR HN . 15433 1 930 . 1 1 75 75 THR HA H 1 4.340 . . 1 . . . . 75 THR HA . 15433 1 931 . 1 1 75 75 THR HB H 1 4.550 . . 1 . . . . 75 THR HB . 15433 1 932 . 1 1 75 75 THR HG21 H 1 1.090 . . 0 . . . . 75 THR HG21 . 15433 1 933 . 1 1 75 75 THR HG22 H 1 1.090 . . 0 . . . . 75 THR HG21 . 15433 1 934 . 1 1 75 75 THR HG23 H 1 1.090 . . 0 . . . . 75 THR HG21 . 15433 1 935 . 1 1 75 75 THR C C 13 175.700 . . 1 . . . . 75 THR C . 15433 1 936 . 1 1 75 75 THR CA C 13 61.700 . . 1 . . . . 75 THR CA . 15433 1 937 . 1 1 75 75 THR CB C 13 69.200 . . 1 . . . . 75 THR CB . 15433 1 938 . 1 1 75 75 THR CG2 C 13 22.100 . . 1 . . . . 75 THR CG2 . 15433 1 939 . 1 1 75 75 THR N N 15 108.900 . . 1 . . . . 75 THR N . 15433 1 940 . 1 1 76 76 GLY H H 1 7.610 . . 1 . . . . 76 GLY HN . 15433 1 941 . 1 1 76 76 GLY HA2 H 1 3.800 . . 0 . . . . 76 GLY HA1 . 15433 1 942 . 1 1 76 76 GLY HA3 H 1 4.360 . . 0 . . . . 76 GLY HA2 . 15433 1 943 . 1 1 76 76 GLY C C 13 173.800 . . 1 . . . . 76 GLY C . 15433 1 944 . 1 1 76 76 GLY CA C 13 45.300 . . 1 . . . . 76 GLY CA . 15433 1 945 . 1 1 76 76 GLY N N 15 112.100 . . 1 . . . . 76 GLY N . 15433 1 946 . 1 1 77 77 GLU H H 1 7.290 . . 1 . . . . 77 GLU HN . 15433 1 947 . 1 1 77 77 GLU HA H 1 4.190 . . 1 . . . . 77 GLU HA . 15433 1 948 . 1 1 77 77 GLU HB2 H 1 1.820 . . 0 . . . . 77 GLU HB1 . 15433 1 949 . 1 1 77 77 GLU HB3 H 1 1.820 . . 0 . . . . 77 GLU HB2 . 15433 1 950 . 1 1 77 77 GLU HG2 H 1 2.100 . . 0 . . . . 77 GLU HG1 . 15433 1 951 . 1 1 77 77 GLU HG3 H 1 2.230 . . 0 . . . . 77 GLU HG2 . 15433 1 952 . 1 1 77 77 GLU C C 13 175.500 . . 1 . . . . 77 GLU C . 15433 1 953 . 1 1 77 77 GLU CA C 13 56.400 . . 1 . . . . 77 GLU CA . 15433 1 954 . 1 1 77 77 GLU CB C 13 30.700 . . 1 . . . . 77 GLU CB . 15433 1 955 . 1 1 77 77 GLU CD C 13 183.800 . . 1 . . . . 77 GLU CD . 15433 1 956 . 1 1 77 77 GLU CG C 13 36.300 . . 1 . . . . 77 GLU CG . 15433 1 957 . 1 1 77 77 GLU N N 15 123.200 . . 1 . . . . 77 GLU N . 15433 1 958 . 1 1 78 78 LYS H H 1 8.486 . . 1 . . . . 78 LYS HN . 15433 1 959 . 1 1 78 78 LYS HA H 1 5.370 . . 1 . . . . 78 LYS HA . 15433 1 960 . 1 1 78 78 LYS HB2 H 1 1.510 . . 0 . . . . 78 LYS HB1 . 15433 1 961 . 1 1 78 78 LYS HB3 H 1 1.760 . . 0 . . . . 78 LYS HB2 . 15433 1 962 . 1 1 78 78 LYS HD2 H 1 1.610 . . 0 . . . . 78 LYS HD2 . 15433 1 963 . 1 1 78 78 LYS HE2 H 1 2.990 . . 0 . . . . 78 LYS HE2 . 15433 1 964 . 1 1 78 78 LYS HG2 H 1 1.310 . . 0 . . . . 78 LYS HG1 . 15433 1 965 . 1 1 78 78 LYS HG3 H 1 1.510 . . 0 . . . . 78 LYS HG2 . 15433 1 966 . 1 1 78 78 LYS C C 13 177.100 . . 1 . . . . 78 LYS C . 15433 1 967 . 1 1 78 78 LYS CA C 13 54.800 . . 1 . . . . 78 LYS CA . 15433 1 968 . 1 1 78 78 LYS CB C 13 33.700 . . 1 . . . . 78 LYS CB . 15433 1 969 . 1 1 78 78 LYS CD C 13 29.100 . . 1 . . . . 78 LYS CD . 15433 1 970 . 1 1 78 78 LYS CE C 13 42.500 . . 1 . . . . 78 LYS CE . 15433 1 971 . 1 1 78 78 LYS CG C 13 25.400 . . 1 . . . . 78 LYS CG . 15433 1 972 . 1 1 78 78 LYS N N 15 125.684 . . 1 . . . . 78 LYS N . 15433 1 973 . 1 1 79 79 VAL H H 1 9.054 . . 1 . . . . 79 VAL HN . 15433 1 974 . 1 1 79 79 VAL HA H 1 4.620 . . 1 . . . . 79 VAL HA . 15433 1 975 . 1 1 79 79 VAL HB H 1 2.030 . . 1 . . . . 79 VAL HB . 15433 1 976 . 1 1 79 79 VAL HG11 H 1 0.570 . . 0 . . . . 79 VAL HG11 . 15433 1 977 . 1 1 79 79 VAL HG12 H 1 0.570 . . 0 . . . . 79 VAL HG11 . 15433 1 978 . 1 1 79 79 VAL HG13 H 1 0.570 . . 0 . . . . 79 VAL HG11 . 15433 1 979 . 1 1 79 79 VAL HG21 H 1 0.790 . . 0 . . . . 79 VAL HG21 . 15433 1 980 . 1 1 79 79 VAL HG22 H 1 0.790 . . 0 . . . . 79 VAL HG21 . 15433 1 981 . 1 1 79 79 VAL HG23 H 1 0.790 . . 0 . . . . 79 VAL HG21 . 15433 1 982 . 1 1 79 79 VAL C C 13 174.300 . . 1 . . . . 79 VAL C . 15433 1 983 . 1 1 79 79 VAL CA C 13 59.200 . . 1 . . . . 79 VAL CA . 15433 1 984 . 1 1 79 79 VAL CB C 13 35.000 . . 1 . . . . 79 VAL CB . 15433 1 985 . 1 1 79 79 VAL CG1 C 13 19.600 . . 0 . . . . 79 VAL CG1 . 15433 1 986 . 1 1 79 79 VAL CG2 C 13 21.800 . . 0 . . . . 79 VAL CG2 . 15433 1 987 . 1 1 79 79 VAL N N 15 121.194 . . 1 . . . . 79 VAL N . 15433 1 988 . 1 1 80 80 LYS H H 1 8.350 . . 1 . . . . 80 LYS HN . 15433 1 989 . 1 1 80 80 LYS HA H 1 5.060 . . 1 . . . . 80 LYS HA . 15433 1 990 . 1 1 80 80 LYS HB2 H 1 1.690 . . 0 . . . . 80 LYS HB1 . 15433 1 991 . 1 1 80 80 LYS HB3 H 1 1.790 . . 0 . . . . 80 LYS HB2 . 15433 1 992 . 1 1 80 80 LYS HD2 H 1 1.630 . . 0 . . . . 80 LYS HD2 . 15433 1 993 . 1 1 80 80 LYS HE2 H 1 2.950 . . 0 . . . . 80 LYS HE2 . 15433 1 994 . 1 1 80 80 LYS HG2 H 1 1.350 . . 0 . . . . 80 LYS HG1 . 15433 1 995 . 1 1 80 80 LYS HG3 H 1 1.540 . . 0 . . . . 80 LYS HG2 . 15433 1 996 . 1 1 80 80 LYS C C 13 176.400 . . 1 . . . . 80 LYS C . 15433 1 997 . 1 1 80 80 LYS CA C 13 55.800 . . 1 . . . . 80 LYS CA . 15433 1 998 . 1 1 80 80 LYS CB C 13 33.500 . . 1 . . . . 80 LYS CB . 15433 1 999 . 1 1 80 80 LYS CD C 13 29.200 . . 1 . . . . 80 LYS CD . 15433 1 1000 . 1 1 80 80 LYS CE C 13 42.200 . . 1 . . . . 80 LYS CE . 15433 1 1001 . 1 1 80 80 LYS CG C 13 25.600 . . 1 . . . . 80 LYS CG . 15433 1 1002 . 1 1 80 80 LYS N N 15 125.300 . . 1 . . . . 80 LYS N . 15433 1 1003 . 1 1 81 81 ALA H H 1 8.871 . . 1 . . . . 81 ALA HN . 15433 1 1004 . 1 1 81 81 ALA HA H 1 4.860 . . 1 . . . . 81 ALA HA . 15433 1 1005 . 1 1 81 81 ALA HB1 H 1 1.180 . . 0 . . . . 81 ALA HB1 . 15433 1 1006 . 1 1 81 81 ALA HB2 H 1 1.180 . . 0 . . . . 81 ALA HB1 . 15433 1 1007 . 1 1 81 81 ALA HB3 H 1 1.180 . . 0 . . . . 81 ALA HB1 . 15433 1 1008 . 1 1 81 81 ALA C C 13 175.100 . . 1 . . . . 81 ALA C . 15433 1 1009 . 1 1 81 81 ALA CA C 13 51.600 . . 1 . . . . 81 ALA CA . 15433 1 1010 . 1 1 81 81 ALA CB C 13 23.500 . . 1 . . . . 81 ALA CB . 15433 1 1011 . 1 1 81 81 ALA N N 15 127.735 . . 1 . . . . 81 ALA N . 15433 1 1012 . 1 1 82 82 VAL H H 1 8.387 . . 1 . . . . 82 VAL HN . 15433 1 1013 . 1 1 82 82 VAL HA H 1 4.280 . . 1 . . . . 82 VAL HA . 15433 1 1014 . 1 1 82 82 VAL HB H 1 1.920 . . 1 . . . . 82 VAL HB . 15433 1 1015 . 1 1 82 82 VAL HG11 H 1 0.700 . . 0 . . . . 82 VAL HG11 . 15433 1 1016 . 1 1 82 82 VAL HG12 H 1 0.700 . . 0 . . . . 82 VAL HG11 . 15433 1 1017 . 1 1 82 82 VAL HG13 H 1 0.700 . . 0 . . . . 82 VAL HG11 . 15433 1 1018 . 1 1 82 82 VAL HG21 H 1 0.850 . . 0 . . . . 82 VAL HG21 . 15433 1 1019 . 1 1 82 82 VAL HG22 H 1 0.850 . . 0 . . . . 82 VAL HG21 . 15433 1 1020 . 1 1 82 82 VAL HG23 H 1 0.850 . . 0 . . . . 82 VAL HG21 . 15433 1 1021 . 1 1 82 82 VAL C C 13 176.100 . . 1 . . . . 82 VAL C . 15433 1 1022 . 1 1 82 82 VAL CA C 13 62.000 . . 1 . . . . 82 VAL CA . 15433 1 1023 . 1 1 82 82 VAL CB C 13 34.400 . . 1 . . . . 82 VAL CB . 15433 1 1024 . 1 1 82 82 VAL CG1 C 13 20.800 . . 0 . . . . 82 VAL CG1 . 15433 1 1025 . 1 1 82 82 VAL CG2 C 13 21.000 . . 0 . . . . 82 VAL CG2 . 15433 1 1026 . 1 1 82 82 VAL N N 15 120.285 . . 1 . . . . 82 VAL N . 15433 1 1027 . 1 1 83 83 VAL H H 1 9.756 . . 1 . . . . 83 VAL HN . 15433 1 1028 . 1 1 83 83 VAL HA H 1 4.480 . . 1 . . . . 83 VAL HA . 15433 1 1029 . 1 1 83 83 VAL HB H 1 1.660 . . 1 . . . . 83 VAL HB . 15433 1 1030 . 1 1 83 83 VAL HG11 H 1 -0.030 . . 0 . . . . 83 VAL HG11 . 15433 1 1031 . 1 1 83 83 VAL HG12 H 1 -0.030 . . 0 . . . . 83 VAL HG11 . 15433 1 1032 . 1 1 83 83 VAL HG13 H 1 -0.030 . . 0 . . . . 83 VAL HG11 . 15433 1 1033 . 1 1 83 83 VAL HG21 H 1 0.630 . . 0 . . . . 83 VAL HG21 . 15433 1 1034 . 1 1 83 83 VAL HG22 H 1 0.630 . . 0 . . . . 83 VAL HG21 . 15433 1 1035 . 1 1 83 83 VAL HG23 H 1 0.630 . . 0 . . . . 83 VAL HG21 . 15433 1 1036 . 1 1 83 83 VAL C C 13 175.100 . . 1 . . . . 83 VAL C . 15433 1 1037 . 1 1 83 83 VAL CA C 13 61.500 . . 1 . . . . 83 VAL CA . 15433 1 1038 . 1 1 83 83 VAL CB C 13 31.900 . . 1 . . . . 83 VAL CB . 15433 1 1039 . 1 1 83 83 VAL CG1 C 13 18.500 . . 0 . . . . 83 VAL CG1 . 15433 1 1040 . 1 1 83 83 VAL CG2 C 13 22.000 . . 0 . . . . 83 VAL CG2 . 15433 1 1041 . 1 1 83 83 VAL N N 15 136.413 . . 1 . . . . 83 VAL N . 15433 1 1042 . 1 1 84 84 LYS H H 1 8.869 . . 1 . . . . 84 LYS HN . 15433 1 1043 . 1 1 84 84 LYS HA H 1 4.890 . . 1 . . . . 84 LYS HA . 15433 1 1044 . 1 1 84 84 LYS HB2 H 1 1.780 . . 0 . . . . 84 LYS HB2 . 15433 1 1045 . 1 1 84 84 LYS HD2 H 1 1.680 . . 0 . . . . 84 LYS HD2 . 15433 1 1046 . 1 1 84 84 LYS HE2 H 1 2.940 . . 0 . . . . 84 LYS HE2 . 15433 1 1047 . 1 1 84 84 LYS HG2 H 1 1.360 . . 0 . . . . 84 LYS HG2 . 15433 1 1048 . 1 1 84 84 LYS C C 13 175.600 . . 1 . . . . 84 LYS C . 15433 1 1049 . 1 1 84 84 LYS CA C 13 54.800 . . 1 . . . . 84 LYS CA . 15433 1 1050 . 1 1 84 84 LYS CB C 13 36.600 . . 1 . . . . 84 LYS CB . 15433 1 1051 . 1 1 84 84 LYS CD C 13 29.700 . . 1 . . . . 84 LYS CD . 15433 1 1052 . 1 1 84 84 LYS CE C 13 42.300 . . 1 . . . . 84 LYS CE . 15433 1 1053 . 1 1 84 84 LYS CG C 13 25.400 . . 1 . . . . 84 LYS CG . 15433 1 1054 . 1 1 84 84 LYS N N 15 127.299 . . 1 . . . . 84 LYS N . 15433 1 1055 . 1 1 85 85 MET H H 1 8.769 . . 1 . . . . 85 MET HN . 15433 1 1056 . 1 1 85 85 MET HA H 1 5.400 . . 1 . . . . 85 MET HA . 15433 1 1057 . 1 1 85 85 MET HB2 H 1 2.610 . . 0 . . . . 85 MET HB1 . 15433 1 1058 . 1 1 85 85 MET HB3 H 1 2.790 . . 0 . . . . 85 MET HB2 . 15433 1 1059 . 1 1 85 85 MET HG2 H 1 1.990 . . 0 . . . . 85 MET HG1 . 15433 1 1060 . 1 1 85 85 MET HG3 H 1 2.380 . . 0 . . . . 85 MET HG2 . 15433 1 1061 . 1 1 85 85 MET C C 13 177.300 . . 1 . . . . 85 MET C . 15433 1 1062 . 1 1 85 85 MET CA C 13 54.300 . . 1 . . . . 85 MET CA . 15433 1 1063 . 1 1 85 85 MET CB C 13 32.600 . . 1 . . . . 85 MET CB . 15433 1 1064 . 1 1 85 85 MET CG C 13 32.400 . . 1 . . . . 85 MET CG . 15433 1 1065 . 1 1 85 85 MET N N 15 121.569 . . 1 . . . . 85 MET N . 15433 1 1066 . 1 1 86 86 GLU H H 1 8.640 . . 1 . . . . 86 GLU HN . 15433 1 1067 . 1 1 86 86 GLU HA H 1 4.570 . . 1 . . . . 86 GLU HA . 15433 1 1068 . 1 1 86 86 GLU HB2 H 1 1.740 . . 0 . . . . 86 GLU HB1 . 15433 1 1069 . 1 1 86 86 GLU HB3 H 1 1.870 . . 0 . . . . 86 GLU HB2 . 15433 1 1070 . 1 1 86 86 GLU HG2 H 1 2.090 . . 0 . . . . 86 GLU HG1 . 15433 1 1071 . 1 1 86 86 GLU HG3 H 1 2.130 . . 0 . . . . 86 GLU HG2 . 15433 1 1072 . 1 1 86 86 GLU C C 13 175.700 . . 1 . . . . 86 GLU C . 15433 1 1073 . 1 1 86 86 GLU CA C 13 56.100 . . 1 . . . . 86 GLU CA . 15433 1 1074 . 1 1 86 86 GLU CB C 13 32.400 . . 1 . . . . 86 GLU CB . 15433 1 1075 . 1 1 86 86 GLU CD C 13 183.100 . . 1 . . . . 86 GLU CD . 15433 1 1076 . 1 1 86 86 GLU CG C 13 36.800 . . 1 . . . . 86 GLU CG . 15433 1 1077 . 1 1 86 86 GLU N N 15 128.500 . . 1 . . . . 86 GLU N . 15433 1 1078 . 1 1 87 87 GLY H H 1 8.470 . . 1 . . . . 87 GLY HN . 15433 1 1079 . 1 1 87 87 GLY HA2 H 1 3.790 . . 0 . . . . 87 GLY HA1 . 15433 1 1080 . 1 1 87 87 GLY HA3 H 1 4.190 . . 0 . . . . 87 GLY HA2 . 15433 1 1081 . 1 1 87 87 GLY C C 13 174.000 . . 1 . . . . 87 GLY C . 15433 1 1082 . 1 1 87 87 GLY CA C 13 45.600 . . 1 . . . . 87 GLY CA . 15433 1 1083 . 1 1 87 87 GLY N N 15 114.900 . . 1 . . . . 87 GLY N . 15433 1 1084 . 1 1 88 88 ASP H H 1 8.554 . . 1 . . . . 88 ASP HN . 15433 1 1085 . 1 1 88 88 ASP HA H 1 4.720 . . 1 . . . . 88 ASP HA . 15433 1 1086 . 1 1 88 88 ASP HB2 H 1 2.700 . . 0 . . . . 88 ASP HB1 . 15433 1 1087 . 1 1 88 88 ASP HB3 H 1 2.700 . . 0 . . . . 88 ASP HB2 . 15433 1 1088 . 1 1 88 88 ASP C C 13 178.000 . . 1 . . . . 88 ASP C . 15433 1 1089 . 1 1 88 88 ASP CA C 13 55.400 . . 1 . . . . 88 ASP CA . 15433 1 1090 . 1 1 88 88 ASP CB C 13 42.000 . . 1 . . . . 88 ASP CB . 15433 1 1091 . 1 1 88 88 ASP CG C 13 180.100 . . 1 . . . . 88 ASP CG . 15433 1 1092 . 1 1 88 88 ASP N N 15 120.256 . . 1 . . . . 88 ASP N . 15433 1 1093 . 1 1 89 89 ASN H H 1 8.105 . . 1 . . . . 89 ASN HN . 15433 1 1094 . 1 1 89 89 ASN HA H 1 5.140 . . 1 . . . . 89 ASN HA . 15433 1 1095 . 1 1 89 89 ASN HB2 H 1 2.810 . . 0 . . . . 89 ASN HB1 . 15433 1 1096 . 1 1 89 89 ASN HB3 H 1 3.750 . . 0 . . . . 89 ASN HB2 . 15433 1 1097 . 1 1 89 89 ASN HD21 H 1 7.410 . . 0 . . . . 89 ASN HD21 . 15433 1 1098 . 1 1 89 89 ASN HD22 H 1 7.040 . . 0 . . . . 89 ASN HD22 . 15433 1 1099 . 1 1 89 89 ASN C C 13 174.000 . . 1 . . . . 89 ASN C . 15433 1 1100 . 1 1 89 89 ASN CA C 13 53.400 . . 1 . . . . 89 ASN CA . 15433 1 1101 . 1 1 89 89 ASN CB C 13 40.100 . . 1 . . . . 89 ASN CB . 15433 1 1102 . 1 1 89 89 ASN CG C 13 179.100 . . 1 . . . . 89 ASN CG . 15433 1 1103 . 1 1 89 89 ASN N N 15 115.976 . . 1 . . . . 89 ASN N . 15433 1 1104 . 1 1 89 89 ASN ND2 N 15 114.300 . . 1 . . . . 89 ASN ND2 . 15433 1 1105 . 1 1 90 90 LYS H H 1 7.350 . . 1 . . . . 90 LYS HN . 15433 1 1106 . 1 1 90 90 LYS HA H 1 5.970 . . 1 . . . . 90 LYS HA . 15433 1 1107 . 1 1 90 90 LYS HB2 H 1 1.590 . . 0 . . . . 90 LYS HB1 . 15433 1 1108 . 1 1 90 90 LYS HB3 H 1 2.130 . . 0 . . . . 90 LYS HB2 . 15433 1 1109 . 1 1 90 90 LYS HD2 H 1 1.500 . . 0 . . . . 90 LYS HD2 . 15433 1 1110 . 1 1 90 90 LYS HE2 H 1 2.850 . . 0 . . . . 90 LYS HE2 . 15433 1 1111 . 1 1 90 90 LYS HG2 H 1 1.180 . . 0 . . . . 90 LYS HG1 . 15433 1 1112 . 1 1 90 90 LYS HG3 H 1 1.470 . . 0 . . . . 90 LYS HG2 . 15433 1 1113 . 1 1 90 90 LYS C C 13 175.700 . . 1 . . . . 90 LYS C . 15433 1 1114 . 1 1 90 90 LYS CA C 13 54.900 . . 1 . . . . 90 LYS CA . 15433 1 1115 . 1 1 90 90 LYS CB C 13 36.600 . . 1 . . . . 90 LYS CB . 15433 1 1116 . 1 1 90 90 LYS CD C 13 29.700 . . 1 . . . . 90 LYS CD . 15433 1 1117 . 1 1 90 90 LYS CE C 13 42.100 . . 1 . . . . 90 LYS CE . 15433 1 1118 . 1 1 90 90 LYS CG C 13 25.400 . . 1 . . . . 90 LYS CG . 15433 1 1119 . 1 1 90 90 LYS N N 15 119.400 . . 1 . . . . 90 LYS N . 15433 1 1120 . 1 1 91 91 MET H H 1 8.877 . . 1 . . . . 91 MET HN . 15433 1 1121 . 1 1 91 91 MET HA H 1 5.280 . . 1 . . . . 91 MET HA . 15433 1 1122 . 1 1 91 91 MET HB2 H 1 1.660 . . 0 . . . . 91 MET HB2 . 15433 1 1123 . 1 1 91 91 MET HE1 H 1 1.346 . . 0 . . . . 91 MET HE1 . 15433 1 1124 . 1 1 91 91 MET HE2 H 1 1.346 . . 0 . . . . 91 MET HE1 . 15433 1 1125 . 1 1 91 91 MET HE3 H 1 1.346 . . 0 . . . . 91 MET HE1 . 15433 1 1126 . 1 1 91 91 MET HG2 H 1 2.100 . . 0 . . . . 91 MET HG1 . 15433 1 1127 . 1 1 91 91 MET HG3 H 1 2.410 . . 0 . . . . 91 MET HG2 . 15433 1 1128 . 1 1 91 91 MET C C 13 175.500 . . 1 . . . . 91 MET C . 15433 1 1129 . 1 1 91 91 MET CA C 13 55.100 . . 1 . . . . 91 MET CA . 15433 1 1130 . 1 1 91 91 MET CB C 13 36.800 . . 1 . . . . 91 MET CB . 15433 1 1131 . 1 1 91 91 MET CE C 13 17.708 . . 1 . . . . 91 MET CE . 15433 1 1132 . 1 1 91 91 MET CG C 13 34.000 . . 1 . . . . 91 MET CG . 15433 1 1133 . 1 1 91 91 MET N N 15 122.271 . . 1 . . . . 91 MET N . 15433 1 1134 . 1 1 92 92 VAL H H 1 9.351 . . 1 . . . . 92 VAL HN . 15433 1 1135 . 1 1 92 92 VAL HA H 1 5.280 . . 1 . . . . 92 VAL HA . 15433 1 1136 . 1 1 92 92 VAL HB H 1 2.000 . . 1 . . . . 92 VAL HB . 15433 1 1137 . 1 1 92 92 VAL HG11 H 1 0.910 . . 0 . . . . 92 VAL HG11 . 15433 1 1138 . 1 1 92 92 VAL HG12 H 1 0.910 . . 0 . . . . 92 VAL HG11 . 15433 1 1139 . 1 1 92 92 VAL HG13 H 1 0.910 . . 0 . . . . 92 VAL HG11 . 15433 1 1140 . 1 1 92 92 VAL HG21 H 1 0.940 . . 0 . . . . 92 VAL HG21 . 15433 1 1141 . 1 1 92 92 VAL HG22 H 1 0.940 . . 0 . . . . 92 VAL HG21 . 15433 1 1142 . 1 1 92 92 VAL HG23 H 1 0.940 . . 0 . . . . 92 VAL HG21 . 15433 1 1143 . 1 1 92 92 VAL C C 13 175.000 . . 1 . . . . 92 VAL C . 15433 1 1144 . 1 1 92 92 VAL CA C 13 60.200 . . 1 . . . . 92 VAL CA . 15433 1 1145 . 1 1 92 92 VAL CB C 13 35.700 . . 1 . . . . 92 VAL CB . 15433 1 1146 . 1 1 92 92 VAL CG1 C 13 20.300 . . 0 . . . . 92 VAL CG1 . 15433 1 1147 . 1 1 92 92 VAL CG2 C 13 20.300 . . 0 . . . . 92 VAL CG2 . 15433 1 1148 . 1 1 92 92 VAL N N 15 123.716 . . 1 . . . . 92 VAL N . 15433 1 1149 . 1 1 93 93 THR H H 1 8.797 . . 1 . . . . 93 THR HN . 15433 1 1150 . 1 1 93 93 THR HA H 1 4.860 . . 1 . . . . 93 THR HA . 15433 1 1151 . 1 1 93 93 THR HB H 1 4.060 . . 1 . . . . 93 THR HB . 15433 1 1152 . 1 1 93 93 THR HG21 H 1 0.910 . . 0 . . . . 93 THR HG21 . 15433 1 1153 . 1 1 93 93 THR HG22 H 1 0.910 . . 0 . . . . 93 THR HG21 . 15433 1 1154 . 1 1 93 93 THR HG23 H 1 0.910 . . 0 . . . . 93 THR HG21 . 15433 1 1155 . 1 1 93 93 THR C C 13 172.300 . . 1 . . . . 93 THR C . 15433 1 1156 . 1 1 93 93 THR CA C 13 61.900 . . 1 . . . . 93 THR CA . 15433 1 1157 . 1 1 93 93 THR CB C 13 69.500 . . 1 . . . . 93 THR CB . 15433 1 1158 . 1 1 93 93 THR CG2 C 13 18.800 . . 1 . . . . 93 THR CG2 . 15433 1 1159 . 1 1 93 93 THR N N 15 121.208 . . 1 . . . . 93 THR N . 15433 1 1160 . 1 1 94 94 THR H H 1 8.023 . . 1 . . . . 94 THR HN . 15433 1 1161 . 1 1 94 94 THR HA H 1 5.450 . . 1 . . . . 94 THR HA . 15433 1 1162 . 1 1 94 94 THR HB H 1 4.060 . . 1 . . . . 94 THR HB . 15433 1 1163 . 1 1 94 94 THR HG21 H 1 1.100 . . 0 . . . . 94 THR HG21 . 15433 1 1164 . 1 1 94 94 THR HG22 H 1 1.100 . . 0 . . . . 94 THR HG21 . 15433 1 1165 . 1 1 94 94 THR HG23 H 1 1.100 . . 0 . . . . 94 THR HG21 . 15433 1 1166 . 1 1 94 94 THR C C 13 173.400 . . 1 . . . . 94 THR C . 15433 1 1167 . 1 1 94 94 THR CA C 13 59.800 . . 1 . . . . 94 THR CA . 15433 1 1168 . 1 1 94 94 THR CB C 13 71.600 . . 1 . . . . 94 THR CB . 15433 1 1169 . 1 1 94 94 THR CG2 C 13 20.400 . . 1 . . . . 94 THR CG2 . 15433 1 1170 . 1 1 94 94 THR N N 15 119.413 . . 1 . . . . 94 THR N . 15433 1 1171 . 1 1 95 95 PHE H H 1 8.168 . . 1 . . . . 95 PHE HN . 15433 1 1172 . 1 1 95 95 PHE HA H 1 4.850 . . 1 . . . . 95 PHE HA . 15433 1 1173 . 1 1 95 95 PHE HB2 H 1 2.710 . . 0 . . . . 95 PHE HB1 . 15433 1 1174 . 1 1 95 95 PHE HB3 H 1 3.300 . . 0 . . . . 95 PHE HB2 . 15433 1 1175 . 1 1 95 95 PHE HD1 H 1 6.783 . . 0 . . . . 95 PHE HD1 . 15433 1 1176 . 1 1 95 95 PHE HD2 H 1 6.783 . . 0 . . . . 95 PHE HD2 . 15433 1 1177 . 1 1 95 95 PHE HE1 H 1 6.915 . . 0 . . . . 95 PHE HE1 . 15433 1 1178 . 1 1 95 95 PHE HE2 H 1 6.915 . . 0 . . . . 95 PHE HE2 . 15433 1 1179 . 1 1 95 95 PHE C C 13 173.500 . . 1 . . . . 95 PHE C . 15433 1 1180 . 1 1 95 95 PHE CA C 13 56.600 . . 1 . . . . 95 PHE CA . 15433 1 1181 . 1 1 95 95 PHE CB C 13 40.100 . . 1 . . . . 95 PHE CB . 15433 1 1182 . 1 1 95 95 PHE CD1 C 13 133.013 . . 0 . . . . 95 PHE CD1 . 15433 1 1183 . 1 1 95 95 PHE CD2 C 13 133.013 . . 0 . . . . 95 PHE CD2 . 15433 1 1184 . 1 1 95 95 PHE CE1 C 13 129.976 . . 0 . . . . 95 PHE CE1 . 15433 1 1185 . 1 1 95 95 PHE CE2 C 13 129.976 . . 0 . . . . 95 PHE CE2 . 15433 1 1186 . 1 1 95 95 PHE CG C 13 138.190 . . 1 . . . . 95 PHE CG . 15433 1 1187 . 1 1 95 95 PHE CZ C 13 128.642 . . 1 . . . . 95 PHE CZ . 15433 1 1188 . 1 1 95 95 PHE N N 15 123.469 . . 1 . . . . 95 PHE N . 15433 1 1189 . 1 1 96 96 LYS H H 1 9.386 . . 1 . . . . 96 LYS HN . 15433 1 1190 . 1 1 96 96 LYS HA H 1 3.880 . . 1 . . . . 96 LYS HA . 15433 1 1191 . 1 1 96 96 LYS HB2 H 1 1.760 . . 0 . . . . 96 LYS HB1 . 15433 1 1192 . 1 1 96 96 LYS HB3 H 1 2.150 . . 0 . . . . 96 LYS HB2 . 15433 1 1193 . 1 1 96 96 LYS HD2 H 1 1.640 . . 0 . . . . 96 LYS HD1 . 15433 1 1194 . 1 1 96 96 LYS HD3 H 1 1.760 . . 0 . . . . 96 LYS HD2 . 15433 1 1195 . 1 1 96 96 LYS HE2 H 1 3.000 . . 0 . . . . 96 LYS HE2 . 15433 1 1196 . 1 1 96 96 LYS HG2 H 1 1.560 . . 0 . . . . 96 LYS HG1 . 15433 1 1197 . 1 1 96 96 LYS HG3 H 1 1.560 . . 0 . . . . 96 LYS HG2 . 15433 1 1198 . 1 1 96 96 LYS C C 13 175.600 . . 1 . . . . 96 LYS C . 15433 1 1199 . 1 1 96 96 LYS CA C 13 57.200 . . 1 . . . . 96 LYS CA . 15433 1 1200 . 1 1 96 96 LYS CB C 13 30.800 . . 1 . . . . 96 LYS CB . 15433 1 1201 . 1 1 96 96 LYS CD C 13 29.100 . . 1 . . . . 96 LYS CD . 15433 1 1202 . 1 1 96 96 LYS CE C 13 41.900 . . 1 . . . . 96 LYS CE . 15433 1 1203 . 1 1 96 96 LYS CG C 13 25.800 . . 1 . . . . 96 LYS CG . 15433 1 1204 . 1 1 96 96 LYS N N 15 121.953 . . 1 . . . . 96 LYS N . 15433 1 1205 . 1 1 97 97 GLY H H 1 8.387 . . 1 . . . . 97 GLY HN . 15433 1 1206 . 1 1 97 97 GLY HA2 H 1 3.540 . . 0 . . . . 97 GLY HA1 . 15433 1 1207 . 1 1 97 97 GLY HA3 H 1 4.000 . . 0 . . . . 97 GLY HA2 . 15433 1 1208 . 1 1 97 97 GLY C C 13 173.800 . . 1 . . . . 97 GLY C . 15433 1 1209 . 1 1 97 97 GLY CA C 13 45.600 . . 1 . . . . 97 GLY CA . 15433 1 1210 . 1 1 97 97 GLY N N 15 106.864 . . 1 . . . . 97 GLY N . 15433 1 1211 . 1 1 98 98 ILE H H 1 8.349 . . 1 . . . . 98 ILE HN . 15433 1 1212 . 1 1 98 98 ILE HA H 1 4.420 . . 1 . . . . 98 ILE HA . 15433 1 1213 . 1 1 98 98 ILE HB H 1 1.550 . . 1 . . . . 98 ILE HB . 15433 1 1214 . 1 1 98 98 ILE HD11 H 1 0.800 . . 0 . . . . 98 ILE HD11 . 15433 1 1215 . 1 1 98 98 ILE HD12 H 1 0.800 . . 0 . . . . 98 ILE HD11 . 15433 1 1216 . 1 1 98 98 ILE HD13 H 1 0.800 . . 0 . . . . 98 ILE HD11 . 15433 1 1217 . 1 1 98 98 ILE HG12 H 1 0.810 . . 0 . . . . 98 ILE HG11 . 15433 1 1218 . 1 1 98 98 ILE HG13 H 1 1.540 . . 0 . . . . 98 ILE HG12 . 15433 1 1219 . 1 1 98 98 ILE HG21 H 1 0.710 . . 0 . . . . 98 ILE HG21 . 15433 1 1220 . 1 1 98 98 ILE HG22 H 1 0.710 . . 0 . . . . 98 ILE HG21 . 15433 1 1221 . 1 1 98 98 ILE HG23 H 1 0.710 . . 0 . . . . 98 ILE HG21 . 15433 1 1222 . 1 1 98 98 ILE C C 13 176.100 . . 1 . . . . 98 ILE C . 15433 1 1223 . 1 1 98 98 ILE CA C 13 60.600 . . 1 . . . . 98 ILE CA . 15433 1 1224 . 1 1 98 98 ILE CB C 13 39.500 . . 1 . . . . 98 ILE CB . 15433 1 1225 . 1 1 98 98 ILE CD1 C 13 15.100 . . 1 . . . . 98 ILE CD1 . 15433 1 1226 . 1 1 98 98 ILE CG1 C 13 29.200 . . 0 . . . . 98 ILE CG1 . 15433 1 1227 . 1 1 98 98 ILE CG2 C 13 18.400 . . 0 . . . . 98 ILE CG2 . 15433 1 1228 . 1 1 98 98 ILE N N 15 125.171 . . 1 . . . . 98 ILE N . 15433 1 1229 . 1 1 99 99 LYS H H 1 8.222 . . 1 . . . . 99 LYS HN . 15433 1 1230 . 1 1 99 99 LYS HA H 1 4.860 . . 1 . . . . 99 LYS HA . 15433 1 1231 . 1 1 99 99 LYS HB2 H 1 1.690 . . 0 . . . . 99 LYS HB1 . 15433 1 1232 . 1 1 99 99 LYS HB3 H 1 1.840 . . 0 . . . . 99 LYS HB2 . 15433 1 1233 . 1 1 99 99 LYS HD2 H 1 1.610 . . 0 . . . . 99 LYS HD1 . 15433 1 1234 . 1 1 99 99 LYS HD3 H 1 1.610 . . 0 . . . . 99 LYS HD2 . 15433 1 1235 . 1 1 99 99 LYS HE2 H 1 2.810 . . 0 . . . . 99 LYS HE2 . 15433 1 1236 . 1 1 99 99 LYS HG2 H 1 1.280 . . 0 . . . . 99 LYS HG1 . 15433 1 1237 . 1 1 99 99 LYS HG3 H 1 1.350 . . 0 . . . . 99 LYS HG2 . 15433 1 1238 . 1 1 99 99 LYS C C 13 175.500 . . 1 . . . . 99 LYS C . 15433 1 1239 . 1 1 99 99 LYS CA C 13 55.400 . . 1 . . . . 99 LYS CA . 15433 1 1240 . 1 1 99 99 LYS CB C 13 34.400 . . 1 . . . . 99 LYS CB . 15433 1 1241 . 1 1 99 99 LYS CD C 13 29.500 . . 1 . . . . 99 LYS CD . 15433 1 1242 . 1 1 99 99 LYS CE C 13 42.200 . . 1 . . . . 99 LYS CE . 15433 1 1243 . 1 1 99 99 LYS CG C 13 25.500 . . 1 . . . . 99 LYS CG . 15433 1 1244 . 1 1 99 99 LYS N N 15 128.735 . . 1 . . . . 99 LYS N . 15433 1 1245 . 1 1 100 100 SER H H 1 8.940 . . 1 . . . . 100 SER HN . 15433 1 1246 . 1 1 100 100 SER HA H 1 5.400 . . 1 . . . . 100 SER HA . 15433 1 1247 . 1 1 100 100 SER HB2 H 1 3.330 . . 0 . . . . 100 SER HB1 . 15433 1 1248 . 1 1 100 100 SER HB3 H 1 3.680 . . 0 . . . . 100 SER HB2 . 15433 1 1249 . 1 1 100 100 SER C C 13 174.000 . . 1 . . . . 100 SER C . 15433 1 1250 . 1 1 100 100 SER CA C 13 56.800 . . 1 . . . . 100 SER CA . 15433 1 1251 . 1 1 100 100 SER CB C 13 64.900 . . 1 . . . . 100 SER CB . 15433 1 1252 . 1 1 100 100 SER N N 15 123.743 . . 1 . . . . 100 SER N . 15433 1 1253 . 1 1 101 101 VAL H H 1 8.819 . . 1 . . . . 101 VAL HN . 15433 1 1254 . 1 1 101 101 VAL HA H 1 4.630 . . 1 . . . . 101 VAL HA . 15433 1 1255 . 1 1 101 101 VAL HB H 1 2.010 . . 1 . . . . 101 VAL HB . 15433 1 1256 . 1 1 101 101 VAL HG11 H 1 0.840 . . 0 . . . . 101 VAL HG11 . 15433 1 1257 . 1 1 101 101 VAL HG12 H 1 0.840 . . 0 . . . . 101 VAL HG11 . 15433 1 1258 . 1 1 101 101 VAL HG13 H 1 0.840 . . 0 . . . . 101 VAL HG11 . 15433 1 1259 . 1 1 101 101 VAL HG21 H 1 0.940 . . 0 . . . . 101 VAL HG21 . 15433 1 1260 . 1 1 101 101 VAL HG22 H 1 0.940 . . 0 . . . . 101 VAL HG21 . 15433 1 1261 . 1 1 101 101 VAL HG23 H 1 0.940 . . 0 . . . . 101 VAL HG21 . 15433 1 1262 . 1 1 101 101 VAL C C 13 174.900 . . 1 . . . . 101 VAL C . 15433 1 1263 . 1 1 101 101 VAL CA C 13 62.100 . . 1 . . . . 101 VAL CA . 15433 1 1264 . 1 1 101 101 VAL CB C 13 34.900 . . 1 . . . . 101 VAL CB . 15433 1 1265 . 1 1 101 101 VAL CG1 C 13 21.200 . . 0 . . . . 101 VAL CG1 . 15433 1 1266 . 1 1 101 101 VAL CG2 C 13 21.200 . . 0 . . . . 101 VAL CG2 . 15433 1 1267 . 1 1 101 101 VAL N N 15 131.034 . . 1 . . . . 101 VAL N . 15433 1 1268 . 1 1 102 102 THR H H 1 9.277 . . 1 . . . . 102 THR HN . 15433 1 1269 . 1 1 102 102 THR HA H 1 4.820 . . 1 . . . . 102 THR HA . 15433 1 1270 . 1 1 102 102 THR HB H 1 3.680 . . 1 . . . . 102 THR HB . 15433 1 1271 . 1 1 102 102 THR HG21 H 1 0.530 . . 0 . . . . 102 THR HG21 . 15433 1 1272 . 1 1 102 102 THR HG22 H 1 0.530 . . 0 . . . . 102 THR HG21 . 15433 1 1273 . 1 1 102 102 THR HG23 H 1 0.530 . . 0 . . . . 102 THR HG21 . 15433 1 1274 . 1 1 102 102 THR C C 13 173.000 . . 1 . . . . 102 THR C . 15433 1 1275 . 1 1 102 102 THR CA C 13 62.100 . . 1 . . . . 102 THR CA . 15433 1 1276 . 1 1 102 102 THR CB C 13 70.000 . . 1 . . . . 102 THR CB . 15433 1 1277 . 1 1 102 102 THR CG2 C 13 23.500 . . 1 . . . . 102 THR CG2 . 15433 1 1278 . 1 1 102 102 THR N N 15 129.985 . . 1 . . . . 102 THR N . 15433 1 1279 . 1 1 103 103 GLU H H 1 9.069 . . 1 . . . . 103 GLU HN . 15433 1 1280 . 1 1 103 103 GLU HA H 1 4.980 . . 1 . . . . 103 GLU HA . 15433 1 1281 . 1 1 103 103 GLU HB2 H 1 1.710 . . 0 . . . . 103 GLU HB1 . 15433 1 1282 . 1 1 103 103 GLU HB3 H 1 2.000 . . 0 . . . . 103 GLU HB2 . 15433 1 1283 . 1 1 103 103 GLU HG2 H 1 1.970 . . 0 . . . . 103 GLU HG1 . 15433 1 1284 . 1 1 103 103 GLU HG3 H 1 2.030 . . 0 . . . . 103 GLU HG2 . 15433 1 1285 . 1 1 103 103 GLU C C 13 174.500 . . 1 . . . . 103 GLU C . 15433 1 1286 . 1 1 103 103 GLU CA C 13 54.800 . . 1 . . . . 103 GLU CA . 15433 1 1287 . 1 1 103 103 GLU CB C 13 33.000 . . 1 . . . . 103 GLU CB . 15433 1 1288 . 1 1 103 103 GLU CD C 13 183.200 . . 1 . . . . 103 GLU CD . 15433 1 1289 . 1 1 103 103 GLU CG C 13 37.200 . . 1 . . . . 103 GLU CG . 15433 1 1290 . 1 1 103 103 GLU N N 15 128.303 . . 1 . . . . 103 GLU N . 15433 1 1291 . 1 1 104 104 PHE H H 1 8.787 . . 1 . . . . 104 PHE HN . 15433 1 1292 . 1 1 104 104 PHE HA H 1 4.490 . . 1 . . . . 104 PHE HA . 15433 1 1293 . 1 1 104 104 PHE HB2 H 1 2.660 . . 0 . . . . 104 PHE HB1 . 15433 1 1294 . 1 1 104 104 PHE HB3 H 1 2.890 . . 0 . . . . 104 PHE HB2 . 15433 1 1295 . 1 1 104 104 PHE HD1 H 1 6.848 . . 0 . . . . 104 PHE HD1 . 15433 1 1296 . 1 1 104 104 PHE HD2 H 1 6.848 . . 0 . . . . 104 PHE HD2 . 15433 1 1297 . 1 1 104 104 PHE HE1 H 1 6.730 . . 0 . . . . 104 PHE HE1 . 15433 1 1298 . 1 1 104 104 PHE HE2 H 1 6.730 . . 0 . . . . 104 PHE HE2 . 15433 1 1299 . 1 1 104 104 PHE HZ H 1 6.683 . . 1 . . . . 104 PHE HZ . 15433 1 1300 . 1 1 104 104 PHE C C 13 175.500 . . 1 . . . . 104 PHE C . 15433 1 1301 . 1 1 104 104 PHE CA C 13 57.600 . . 1 . . . . 104 PHE CA . 15433 1 1302 . 1 1 104 104 PHE CB C 13 40.300 . . 1 . . . . 104 PHE CB . 15433 1 1303 . 1 1 104 104 PHE CD1 C 13 132.515 . . 0 . . . . 104 PHE CD1 . 15433 1 1304 . 1 1 104 104 PHE CD2 C 13 132.515 . . 0 . . . . 104 PHE CD2 . 15433 1 1305 . 1 1 104 104 PHE CE1 C 13 130.833 . . 0 . . . . 104 PHE CE1 . 15433 1 1306 . 1 1 104 104 PHE CE2 C 13 130.833 . . 0 . . . . 104 PHE CE2 . 15433 1 1307 . 1 1 104 104 PHE CG C 13 139.200 . . 1 . . . . 104 PHE CG . 15433 1 1308 . 1 1 104 104 PHE CZ C 13 128.608 . . 1 . . . . 104 PHE CZ . 15433 1 1309 . 1 1 104 104 PHE N N 15 128.048 . . 1 . . . . 104 PHE N . 15433 1 1310 . 1 1 105 105 ASN H H 1 8.419 . . 1 . . . . 105 ASN HN . 15433 1 1311 . 1 1 105 105 ASN HA H 1 5.090 . . 1 . . . . 105 ASN HA . 15433 1 1312 . 1 1 105 105 ASN HB2 H 1 2.590 . . 0 . . . . 105 ASN HB1 . 15433 1 1313 . 1 1 105 105 ASN HB3 H 1 2.820 . . 0 . . . . 105 ASN HB2 . 15433 1 1314 . 1 1 105 105 ASN HD21 H 1 7.510 . . 0 . . . . 105 ASN HD21 . 15433 1 1315 . 1 1 105 105 ASN HD22 H 1 7.030 . . 0 . . . . 105 ASN HD22 . 15433 1 1316 . 1 1 105 105 ASN C C 13 175.400 . . 1 . . . . 105 ASN C . 15433 1 1317 . 1 1 105 105 ASN CA C 13 52.500 . . 1 . . . . 105 ASN CA . 15433 1 1318 . 1 1 105 105 ASN CB C 13 40.200 . . 1 . . . . 105 ASN CB . 15433 1 1319 . 1 1 105 105 ASN CG C 13 177.700 . . 1 . . . . 105 ASN CG . 15433 1 1320 . 1 1 105 105 ASN N N 15 125.612 . . 1 . . . . 105 ASN N . 15433 1 1321 . 1 1 105 105 ASN ND2 N 15 114.800 . . 1 . . . . 105 ASN ND2 . 15433 1 1322 . 1 1 106 106 GLY H H 1 8.483 . . 1 . . . . 106 GLY HN . 15433 1 1323 . 1 1 106 106 GLY HA2 H 1 3.670 . . 0 . . . . 106 GLY HA1 . 15433 1 1324 . 1 1 106 106 GLY HA3 H 1 4.220 . . 0 . . . . 106 GLY HA2 . 15433 1 1325 . 1 1 106 106 GLY C C 13 174.400 . . 1 . . . . 106 GLY C . 15433 1 1326 . 1 1 106 106 GLY CA C 13 47.900 . . 1 . . . . 106 GLY CA . 15433 1 1327 . 1 1 106 106 GLY N N 15 115.127 . . 1 . . . . 106 GLY N . 15433 1 1328 . 1 1 107 107 ASP H H 1 8.760 . . 1 . . . . 107 ASP HN . 15433 1 1329 . 1 1 107 107 ASP HA H 1 4.800 . . 1 . . . . 107 ASP HA . 15433 1 1330 . 1 1 107 107 ASP HB2 H 1 2.890 . . 0 . . . . 107 ASP HB1 . 15433 1 1331 . 1 1 107 107 ASP HB3 H 1 2.990 . . 0 . . . . 107 ASP HB2 . 15433 1 1332 . 1 1 107 107 ASP C C 13 175.200 . . 1 . . . . 107 ASP C . 15433 1 1333 . 1 1 107 107 ASP CA C 13 54.900 . . 1 . . . . 107 ASP CA . 15433 1 1334 . 1 1 107 107 ASP CB C 13 41.700 . . 1 . . . . 107 ASP CB . 15433 1 1335 . 1 1 107 107 ASP CG C 13 180.600 . . 1 . . . . 107 ASP CG . 15433 1 1336 . 1 1 107 107 ASP N N 15 128.700 . . 1 . . . . 107 ASP N . 15433 1 1337 . 1 1 108 108 THR H H 1 7.850 . . 1 . . . . 108 THR HN . 15433 1 1338 . 1 1 108 108 THR HA H 1 5.330 . . 1 . . . . 108 THR HA . 15433 1 1339 . 1 1 108 108 THR HB H 1 4.110 . . 1 . . . . 108 THR HB . 15433 1 1340 . 1 1 108 108 THR HG21 H 1 1.160 . . 0 . . . . 108 THR HG21 . 15433 1 1341 . 1 1 108 108 THR HG22 H 1 1.160 . . 0 . . . . 108 THR HG21 . 15433 1 1342 . 1 1 108 108 THR HG23 H 1 1.160 . . 0 . . . . 108 THR HG21 . 15433 1 1343 . 1 1 108 108 THR C C 13 173.500 . . 1 . . . . 108 THR C . 15433 1 1344 . 1 1 108 108 THR CA C 13 61.400 . . 1 . . . . 108 THR CA . 15433 1 1345 . 1 1 108 108 THR CB C 13 72.500 . . 1 . . . . 108 THR CB . 15433 1 1346 . 1 1 108 108 THR CG2 C 13 21.400 . . 1 . . . . 108 THR CG2 . 15433 1 1347 . 1 1 108 108 THR N N 15 114.900 . . 1 . . . . 108 THR N . 15433 1 1348 . 1 1 109 109 ILE H H 1 8.705 . . 1 . . . . 109 ILE HN . 15433 1 1349 . 1 1 109 109 ILE HA H 1 4.600 . . 1 . . . . 109 ILE HA . 15433 1 1350 . 1 1 109 109 ILE HB H 1 1.050 . . 1 . . . . 109 ILE HB . 15433 1 1351 . 1 1 109 109 ILE HD11 H 1 -0.380 . . 0 . . . . 109 ILE HD11 . 15433 1 1352 . 1 1 109 109 ILE HD12 H 1 -0.380 . . 0 . . . . 109 ILE HD12 . 15433 1 1353 . 1 1 109 109 ILE HD13 H 1 -0.380 . . 0 . . . . 109 ILE HD13 . 15433 1 1354 . 1 1 109 109 ILE HG12 H 1 0.180 . . 0 . . . . 109 ILE HG11 . 15433 1 1355 . 1 1 109 109 ILE HG13 H 1 0.880 . . 0 . . . . 109 ILE HG12 . 15433 1 1356 . 1 1 109 109 ILE HG21 H 1 0.074 . . 0 . . . . 109 ILE HG21 . 15433 1 1357 . 1 1 109 109 ILE HG22 H 1 0.074 . . 0 . . . . 109 ILE HG21 . 15433 1 1358 . 1 1 109 109 ILE HG23 H 1 0.074 . . 0 . . . . 109 ILE HG21 . 15433 1 1359 . 1 1 109 109 ILE C C 13 175.500 . . 1 . . . . 109 ILE C . 15433 1 1360 . 1 1 109 109 ILE CA C 13 60.200 . . 1 . . . . 109 ILE CA . 15433 1 1361 . 1 1 109 109 ILE CB C 13 41.300 . . 1 . . . . 109 ILE CB . 15433 1 1362 . 1 1 109 109 ILE CD1 C 13 13.100 . . 1 . . . . 109 ILE CD1 . 15433 1 1363 . 1 1 109 109 ILE CG1 C 13 27.500 . . 0 . . . . 109 ILE CG1 . 15433 1 1364 . 1 1 109 109 ILE CG2 C 13 18.600 . . 0 . . . . 109 ILE CG2 . 15433 1 1365 . 1 1 109 109 ILE N N 15 125.942 . . 1 . . . . 109 ILE N . 15433 1 1366 . 1 1 110 110 THR H H 1 8.619 . . 1 . . . . 110 THR HN . 15433 1 1367 . 1 1 110 110 THR HA H 1 5.010 . . 1 . . . . 110 THR HA . 15433 1 1368 . 1 1 110 110 THR HB H 1 3.940 . . 1 . . . . 110 THR HB . 15433 1 1369 . 1 1 110 110 THR HG21 H 1 1.050 . . 0 . . . . 110 THR HG21 . 15433 1 1370 . 1 1 110 110 THR HG22 H 1 1.050 . . 0 . . . . 110 THR HG21 . 15433 1 1371 . 1 1 110 110 THR HG23 H 1 1.050 . . 0 . . . . 110 THR HG21 . 15433 1 1372 . 1 1 110 110 THR C C 13 173.000 . . 1 . . . . 110 THR C . 15433 1 1373 . 1 1 110 110 THR CA C 13 61.700 . . 1 . . . . 110 THR CA . 15433 1 1374 . 1 1 110 110 THR CB C 13 70.500 . . 1 . . . . 110 THR CB . 15433 1 1375 . 1 1 110 110 THR CG2 C 13 21.100 . . 1 . . . . 110 THR CG2 . 15433 1 1376 . 1 1 110 110 THR N N 15 123.865 . . 1 . . . . 110 THR N . 15433 1 1377 . 1 1 111 111 ASN H H 1 9.331 . . 1 . . . . 111 ASN HN . 15433 1 1378 . 1 1 111 111 ASN HA H 1 5.560 . . 1 . . . . 111 ASN HA . 15433 1 1379 . 1 1 111 111 ASN HB2 H 1 2.320 . . 0 . . . . 111 ASN HB1 . 15433 1 1380 . 1 1 111 111 ASN HB3 H 1 2.610 . . 0 . . . . 111 ASN HB2 . 15433 1 1381 . 1 1 111 111 ASN HD21 H 1 7.110 . . 0 . . . . 111 ASN HD21 . 15433 1 1382 . 1 1 111 111 ASN HD22 H 1 5.650 . . 0 . . . . 111 ASN HD22 . 15433 1 1383 . 1 1 111 111 ASN C C 13 174.400 . . 1 . . . . 111 ASN C . 15433 1 1384 . 1 1 111 111 ASN CA C 13 52.200 . . 1 . . . . 111 ASN CA . 15433 1 1385 . 1 1 111 111 ASN CB C 13 43.300 . . 1 . . . . 111 ASN CB . 15433 1 1386 . 1 1 111 111 ASN CG C 13 173.900 . . 1 . . . . 111 ASN CG . 15433 1 1387 . 1 1 111 111 ASN N N 15 130.300 . . 1 . . . . 111 ASN N . 15433 1 1388 . 1 1 111 111 ASN ND2 N 15 109.500 . . 1 . . . . 111 ASN ND2 . 15433 1 1389 . 1 1 112 112 THR H H 1 8.977 . . 1 . . . . 112 THR HN . 15433 1 1390 . 1 1 112 112 THR HA H 1 4.750 . . 1 . . . . 112 THR HA . 15433 1 1391 . 1 1 112 112 THR HB H 1 3.850 . . 1 . . . . 112 THR HB . 15433 1 1392 . 1 1 112 112 THR HG21 H 1 0.960 . . 0 . . . . 112 THR HG21 . 15433 1 1393 . 1 1 112 112 THR HG22 H 1 0.960 . . 0 . . . . 112 THR HG21 . 15433 1 1394 . 1 1 112 112 THR HG23 H 1 0.960 . . 0 . . . . 112 THR HG21 . 15433 1 1395 . 1 1 112 112 THR C C 13 173.800 . . 1 . . . . 112 THR C . 15433 1 1396 . 1 1 112 112 THR CA C 13 62.000 . . 1 . . . . 112 THR CA . 15433 1 1397 . 1 1 112 112 THR CB C 13 70.200 . . 1 . . . . 112 THR CB . 15433 1 1398 . 1 1 112 112 THR CG2 C 13 21.900 . . 1 . . . . 112 THR CG2 . 15433 1 1399 . 1 1 112 112 THR N N 15 124.434 . . 1 . . . . 112 THR N . 15433 1 1400 . 1 1 113 113 MET H H 1 9.233 . . 1 . . . . 113 MET HN . 15433 1 1401 . 1 1 113 113 MET HA H 1 5.430 . . 1 . . . . 113 MET HA . 15433 1 1402 . 1 1 113 113 MET HB2 H 1 1.560 . . 0 . . . . 113 MET HB1 . 15433 1 1403 . 1 1 113 113 MET HB3 H 1 1.780 . . 0 . . . . 113 MET HB2 . 15433 1 1404 . 1 1 113 113 MET HG2 H 1 2.270 . . 0 . . . . 113 MET HG1 . 15433 1 1405 . 1 1 113 113 MET HG3 H 1 2.420 . . 0 . . . . 113 MET HG2 . 15433 1 1406 . 1 1 113 113 MET C C 13 174.000 . . 1 . . . . 113 MET C . 15433 1 1407 . 1 1 113 113 MET CA C 13 54.600 . . 1 . . . . 113 MET CA . 15433 1 1408 . 1 1 113 113 MET CB C 13 37.100 . . 1 . . . . 113 MET CB . 15433 1 1409 . 1 1 113 113 MET CG C 13 33.200 . . 1 . . . . 113 MET CG . 15433 1 1410 . 1 1 113 113 MET N N 15 129.561 . . 1 . . . . 113 MET N . 15433 1 1411 . 1 1 114 114 THR H H 1 8.912 . . 1 . . . . 114 THR HN . 15433 1 1412 . 1 1 114 114 THR HA H 1 5.290 . . 1 . . . . 114 THR HA . 15433 1 1413 . 1 1 114 114 THR HB H 1 4.000 . . 1 . . . . 114 THR HB . 15433 1 1414 . 1 1 114 114 THR HG21 H 1 1.160 . . 0 . . . . 114 THR HG21 . 15433 1 1415 . 1 1 114 114 THR HG22 H 1 1.160 . . 0 . . . . 114 THR HG21 . 15433 1 1416 . 1 1 114 114 THR HG23 H 1 1.160 . . 0 . . . . 114 THR HG21 . 15433 1 1417 . 1 1 114 114 THR C C 13 173.700 . . 1 . . . . 114 THR C . 15433 1 1418 . 1 1 114 114 THR CA C 13 61.700 . . 1 . . . . 114 THR CA . 15433 1 1419 . 1 1 114 114 THR CB C 13 71.000 . . 1 . . . . 114 THR CB . 15433 1 1420 . 1 1 114 114 THR CG2 C 13 21.600 . . 1 . . . . 114 THR CG2 . 15433 1 1421 . 1 1 114 114 THR N N 15 120.065 . . 1 . . . . 114 THR N . 15433 1 1422 . 1 1 115 115 LEU H H 1 8.937 . . 1 . . . . 115 LEU HN . 15433 1 1423 . 1 1 115 115 LEU HA H 1 4.650 . . 1 . . . . 115 LEU HA . 15433 1 1424 . 1 1 115 115 LEU HB2 H 1 1.260 . . 0 . . . . 115 LEU HB1 . 15433 1 1425 . 1 1 115 115 LEU HB3 H 1 1.680 . . 0 . . . . 115 LEU HB2 . 15433 1 1426 . 1 1 115 115 LEU HD11 H 1 0.470 . . 0 . . . . 115 LEU HD11 . 15433 1 1427 . 1 1 115 115 LEU HD12 H 1 0.470 . . 0 . . . . 115 LEU HD11 . 15433 1 1428 . 1 1 115 115 LEU HD13 H 1 0.470 . . 0 . . . . 115 LEU HD11 . 15433 1 1429 . 1 1 115 115 LEU HD21 H 1 0.660 . . 0 . . . . 115 LEU HD21 . 15433 1 1430 . 1 1 115 115 LEU HD22 H 1 0.660 . . 0 . . . . 115 LEU HD21 . 15433 1 1431 . 1 1 115 115 LEU HD23 H 1 0.660 . . 0 . . . . 115 LEU HD21 . 15433 1 1432 . 1 1 115 115 LEU HG H 1 1.350 . . 1 . . . . 115 LEU HG . 15433 1 1433 . 1 1 115 115 LEU C C 13 176.300 . . 1 . . . . 115 LEU C . 15433 1 1434 . 1 1 115 115 LEU CA C 13 54.300 . . 1 . . . . 115 LEU CA . 15433 1 1435 . 1 1 115 115 LEU CB C 13 44.900 . . 1 . . . . 115 LEU CB . 15433 1 1436 . 1 1 115 115 LEU CD1 C 13 26.000 . . 0 . . . . 115 LEU CD1 . 15433 1 1437 . 1 1 115 115 LEU CD2 C 13 23.100 . . 0 . . . . 115 LEU CD2 . 15433 1 1438 . 1 1 115 115 LEU CG C 13 27.800 . . 1 . . . . 115 LEU CG . 15433 1 1439 . 1 1 115 115 LEU N N 15 132.086 . . 1 . . . . 115 LEU N . 15433 1 1440 . 1 1 116 116 GLY H H 1 9.042 . . 1 . . . . 116 GLY HN . 15433 1 1441 . 1 1 116 116 GLY HA2 H 1 3.610 . . 0 . . . . 116 GLY HA1 . 15433 1 1442 . 1 1 116 116 GLY HA3 H 1 3.930 . . 0 . . . . 116 GLY HA2 . 15433 1 1443 . 1 1 116 116 GLY C C 13 174.400 . . 1 . . . . 116 GLY C . 15433 1 1444 . 1 1 116 116 GLY CA C 13 47.700 . . 1 . . . . 116 GLY CA . 15433 1 1445 . 1 1 116 116 GLY N N 15 119.697 . . 1 . . . . 116 GLY N . 15433 1 1446 . 1 1 117 117 ASP H H 1 8.641 . . 1 . . . . 117 ASP HN . 15433 1 1447 . 1 1 117 117 ASP HA H 1 4.600 . . 1 . . . . 117 ASP HA . 15433 1 1448 . 1 1 117 117 ASP HB2 H 1 2.670 . . 0 . . . . 117 ASP HB1 . 15433 1 1449 . 1 1 117 117 ASP HB3 H 1 2.740 . . 0 . . . . 117 ASP HB2 . 15433 1 1450 . 1 1 117 117 ASP C C 13 175.800 . . 1 . . . . 117 ASP C . 15433 1 1451 . 1 1 117 117 ASP CA C 13 54.300 . . 1 . . . . 117 ASP CA . 15433 1 1452 . 1 1 117 117 ASP CB C 13 41.200 . . 1 . . . . 117 ASP CB . 15433 1 1453 . 1 1 117 117 ASP CG C 13 180.800 . . 1 . . . . 117 ASP CG . 15433 1 1454 . 1 1 117 117 ASP N N 15 128.247 . . 1 . . . . 117 ASP N . 15433 1 1455 . 1 1 118 118 ILE H H 1 8.319 . . 1 . . . . 118 ILE HN . 15433 1 1456 . 1 1 118 118 ILE HA H 1 4.070 . . 1 . . . . 118 ILE HA . 15433 1 1457 . 1 1 118 118 ILE HB H 1 2.210 . . 1 . . . . 118 ILE HB . 15433 1 1458 . 1 1 118 118 ILE HD11 H 1 0.970 . . 0 . . . . 118 ILE HD11 . 15433 1 1459 . 1 1 118 118 ILE HD12 H 1 0.970 . . 0 . . . . 118 ILE HD11 . 15433 1 1460 . 1 1 118 118 ILE HD13 H 1 0.970 . . 0 . . . . 118 ILE HD11 . 15433 1 1461 . 1 1 118 118 ILE HG12 H 1 1.050 . . 0 . . . . 118 ILE HG11 . 15433 1 1462 . 1 1 118 118 ILE HG13 H 1 1.710 . . 0 . . . . 118 ILE HG12 . 15433 1 1463 . 1 1 118 118 ILE HG21 H 1 0.780 . . 0 . . . . 118 ILE HG21 . 15433 1 1464 . 1 1 118 118 ILE HG22 H 1 0.780 . . 0 . . . . 118 ILE HG21 . 15433 1 1465 . 1 1 118 118 ILE HG23 H 1 0.780 . . 0 . . . . 118 ILE HG21 . 15433 1 1466 . 1 1 118 118 ILE C C 13 174.500 . . 1 . . . . 118 ILE C . 15433 1 1467 . 1 1 118 118 ILE CA C 13 61.900 . . 1 . . . . 118 ILE CA . 15433 1 1468 . 1 1 118 118 ILE CB C 13 39.200 . . 1 . . . . 118 ILE CB . 15433 1 1469 . 1 1 118 118 ILE CD1 C 13 18.200 . . 1 . . . . 118 ILE CD1 . 15433 1 1470 . 1 1 118 118 ILE CG1 C 13 27.400 . . 0 . . . . 118 ILE CG1 . 15433 1 1471 . 1 1 118 118 ILE CG2 C 13 14.000 . . 0 . . . . 118 ILE CG2 . 15433 1 1472 . 1 1 118 118 ILE N N 15 124.487 . . 1 . . . . 118 ILE N . 15433 1 1473 . 1 1 119 119 VAL H H 1 8.342 . . 1 . . . . 119 VAL HN . 15433 1 1474 . 1 1 119 119 VAL HA H 1 4.710 . . 1 . . . . 119 VAL HA . 15433 1 1475 . 1 1 119 119 VAL HB H 1 1.980 . . 1 . . . . 119 VAL HB . 15433 1 1476 . 1 1 119 119 VAL HG11 H 1 0.860 . . 0 . . . . 119 VAL HG11 . 15433 1 1477 . 1 1 119 119 VAL HG12 H 1 0.860 . . 0 . . . . 119 VAL HG11 . 15433 1 1478 . 1 1 119 119 VAL HG13 H 1 0.860 . . 0 . . . . 119 VAL HG11 . 15433 1 1479 . 1 1 119 119 VAL HG21 H 1 0.720 . . 0 . . . . 119 VAL HG21 . 15433 1 1480 . 1 1 119 119 VAL HG22 H 1 0.720 . . 0 . . . . 119 VAL HG21 . 15433 1 1481 . 1 1 119 119 VAL HG23 H 1 0.720 . . 0 . . . . 119 VAL HG21 . 15433 1 1482 . 1 1 119 119 VAL C C 13 175.700 . . 1 . . . . 119 VAL C . 15433 1 1483 . 1 1 119 119 VAL CA C 13 61.500 . . 1 . . . . 119 VAL CA . 15433 1 1484 . 1 1 119 119 VAL CB C 13 32.700 . . 1 . . . . 119 VAL CB . 15433 1 1485 . 1 1 119 119 VAL CG1 C 13 20.800 . . 0 . . . . 119 VAL CG1 . 15433 1 1486 . 1 1 119 119 VAL CG2 C 13 21.789 . . 0 . . . . 119 VAL CG2 . 15433 1 1487 . 1 1 119 119 VAL N N 15 129.455 . . 1 . . . . 119 VAL N . 15433 1 1488 . 1 1 120 120 TYR H H 1 9.350 . . 1 . . . . 120 TYR HN . 15433 1 1489 . 1 1 120 120 TYR HA H 1 5.460 . . 1 . . . . 120 TYR HA . 15433 1 1490 . 1 1 120 120 TYR HB2 H 1 2.050 . . 0 . . . . 120 TYR HB1 . 15433 1 1491 . 1 1 120 120 TYR HB3 H 1 2.560 . . 0 . . . . 120 TYR HB2 . 15433 1 1492 . 1 1 120 120 TYR HD1 H 1 6.825 . . 0 . . . . 120 TYR HD1 . 15433 1 1493 . 1 1 120 120 TYR HD2 H 1 6.509 . . 0 . . . . 120 TYR HD2 . 15433 1 1494 . 1 1 120 120 TYR HE1 H 1 6.509 . . 0 . . . . 120 TYR HE1 . 15433 1 1495 . 1 1 120 120 TYR HE2 H 1 6.825 . . 0 . . . . 120 TYR HE2 . 15433 1 1496 . 1 1 120 120 TYR C C 13 174.100 . . 1 . . . . 120 TYR C . 15433 1 1497 . 1 1 120 120 TYR CA C 13 54.200 . . 1 . . . . 120 TYR CA . 15433 1 1498 . 1 1 120 120 TYR CB C 13 40.000 . . 1 . . . . 120 TYR CB . 15433 1 1499 . 1 1 120 120 TYR CD1 C 13 133.435 . . 0 . . . . 120 TYR CD1 . 15433 1 1500 . 1 1 120 120 TYR CD2 C 13 133.435 . . 0 . . . . 120 TYR CD2 . 15433 1 1501 . 1 1 120 120 TYR CE1 C 13 117.035 . . 0 . . . . 120 TYR CE1 . 15433 1 1502 . 1 1 120 120 TYR CE2 C 13 117.035 . . 0 . . . . 120 TYR CE2 . 15433 1 1503 . 1 1 120 120 TYR CG C 13 130.100 . . 1 . . . . 120 TYR CG . 15433 1 1504 . 1 1 120 120 TYR CZ C 13 157.170 . . 1 . . . . 120 TYR CZ . 15433 1 1505 . 1 1 120 120 TYR N N 15 132.949 . . 1 . . . . 120 TYR N . 15433 1 1506 . 1 1 121 121 LYS H H 1 8.133 . . 1 . . . . 121 LYS HN . 15433 1 1507 . 1 1 121 121 LYS HA H 1 5.100 . . 1 . . . . 121 LYS HA . 15433 1 1508 . 1 1 121 121 LYS HB2 H 1 1.490 . . 0 . . . . 121 LYS HB1 . 15433 1 1509 . 1 1 121 121 LYS HB3 H 1 1.610 . . 0 . . . . 121 LYS HB2 . 15433 1 1510 . 1 1 121 121 LYS HD2 H 1 1.510 . . 0 . . . . 121 LYS HD2 . 15433 1 1511 . 1 1 121 121 LYS HE2 H 1 2.710 . . 0 . . . . 121 LYS HE2 . 15433 1 1512 . 1 1 121 121 LYS HG2 H 1 1.110 . . 0 . . . . 121 LYS HG1 . 15433 1 1513 . 1 1 121 121 LYS HG3 H 1 1.270 . . 0 . . . . 121 LYS HG2 . 15433 1 1514 . 1 1 121 121 LYS C C 13 174.400 . . 1 . . . . 121 LYS C . 15433 1 1515 . 1 1 121 121 LYS CA C 13 54.500 . . 1 . . . . 121 LYS CA . 15433 1 1516 . 1 1 121 121 LYS CB C 13 36.800 . . 1 . . . . 121 LYS CB . 15433 1 1517 . 1 1 121 121 LYS CD C 13 29.600 . . 1 . . . . 121 LYS CD . 15433 1 1518 . 1 1 121 121 LYS CE C 13 42.100 . . 1 . . . . 121 LYS CE . 15433 1 1519 . 1 1 121 121 LYS CG C 13 25.500 . . 1 . . . . 121 LYS CG . 15433 1 1520 . 1 1 121 121 LYS N N 15 131.763 . . 1 . . . . 121 LYS N . 15433 1 1521 . 1 1 122 122 ARG H H 1 8.720 . . 1 . . . . 122 ARG HN . 15433 1 1522 . 1 1 122 122 ARG HA H 1 4.800 . . 1 . . . . 122 ARG HA . 15433 1 1523 . 1 1 122 122 ARG HB2 H 1 1.380 . . 0 . . . . 122 ARG HB1 . 15433 1 1524 . 1 1 122 122 ARG HB3 H 1 1.710 . . 0 . . . . 122 ARG HB2 . 15433 1 1525 . 1 1 122 122 ARG HD2 H 1 3.220 . . 0 . . . . 122 ARG HD2 . 15433 1 1526 . 1 1 122 122 ARG HE H 1 9.800 . . 1 . . . . 122 ARG HE . 15433 1 1527 . 1 1 122 122 ARG HG2 H 1 1.390 . . 0 . . . . 122 ARG HG2 . 15433 1 1528 . 1 1 122 122 ARG C C 13 175.000 . . 1 . . . . 122 ARG C . 15433 1 1529 . 1 1 122 122 ARG CA C 13 54.800 . . 1 . . . . 122 ARG CA . 15433 1 1530 . 1 1 122 122 ARG CB C 13 35.600 . . 1 . . . . 122 ARG CB . 15433 1 1531 . 1 1 122 122 ARG CD C 13 44.700 . . 1 . . . . 122 ARG CD . 15433 1 1532 . 1 1 122 122 ARG CG C 13 26.900 . . 1 . . . . 122 ARG CG . 15433 1 1533 . 1 1 122 122 ARG N N 15 126.200 . . 1 . . . . 122 ARG N . 15433 1 1534 . 1 1 122 122 ARG NE N 15 86.900 . . 1 . . . . 122 ARG NE . 15433 1 1535 . 1 1 123 123 VAL H H 1 8.824 . . 1 . . . . 123 VAL HN . 15433 1 1536 . 1 1 123 123 VAL HA H 1 4.960 . . 1 . . . . 123 VAL HA . 15433 1 1537 . 1 1 123 123 VAL HB H 1 2.070 . . 1 . . . . 123 VAL HB . 15433 1 1538 . 1 1 123 123 VAL HG11 H 1 0.870 . . 0 . . . . 123 VAL HG11 . 15433 1 1539 . 1 1 123 123 VAL HG12 H 1 0.870 . . 0 . . . . 123 VAL HG11 . 15433 1 1540 . 1 1 123 123 VAL HG13 H 1 0.870 . . 0 . . . . 123 VAL HG11 . 15433 1 1541 . 1 1 123 123 VAL HG21 H 1 0.870 . . 0 . . . . 123 VAL HG21 . 15433 1 1542 . 1 1 123 123 VAL HG22 H 1 0.870 . . 0 . . . . 123 VAL HG21 . 15433 1 1543 . 1 1 123 123 VAL HG23 H 1 0.870 . . 0 . . . . 123 VAL HG21 . 15433 1 1544 . 1 1 123 123 VAL C C 13 175.900 . . 1 . . . . 123 VAL C . 15433 1 1545 . 1 1 123 123 VAL CA C 13 62.000 . . 1 . . . . 123 VAL CA . 15433 1 1546 . 1 1 123 123 VAL CB C 13 33.700 . . 1 . . . . 123 VAL CB . 15433 1 1547 . 1 1 123 123 VAL CG1 C 13 21.100 . . 0 . . . . 123 VAL CG1 . 15433 1 1548 . 1 1 123 123 VAL CG2 C 13 21.100 . . 0 . . . . 123 VAL CG2 . 15433 1 1549 . 1 1 123 123 VAL N N 15 128.287 . . 1 . . . . 123 VAL N . 15433 1 1550 . 1 1 124 124 SER H H 1 9.347 . . 1 . . . . 124 SER HN . 15433 1 1551 . 1 1 124 124 SER HA H 1 5.360 . . 1 . . . . 124 SER HA . 15433 1 1552 . 1 1 124 124 SER HB2 H 1 3.350 . . 0 . . . . 124 SER HB1 . 15433 1 1553 . 1 1 124 124 SER HB3 H 1 3.520 . . 0 . . . . 124 SER HB2 . 15433 1 1554 . 1 1 124 124 SER C C 13 172.100 . . 1 . . . . 124 SER C . 15433 1 1555 . 1 1 124 124 SER CA C 13 58.000 . . 1 . . . . 124 SER CA . 15433 1 1556 . 1 1 124 124 SER CB C 13 66.200 . . 1 . . . . 124 SER CB . 15433 1 1557 . 1 1 124 124 SER N N 15 125.571 . . 1 . . . . 124 SER N . 15433 1 1558 . 1 1 125 125 LYS H H 1 8.569 . . 1 . . . . 125 LYS HN . 15433 1 1559 . 1 1 125 125 LYS HA H 1 5.530 . . 1 . . . . 125 LYS HA . 15433 1 1560 . 1 1 125 125 LYS HB2 H 1 1.750 . . 0 . . . . 125 LYS HB1 . 15433 1 1561 . 1 1 125 125 LYS HB3 H 1 1.870 . . 0 . . . . 125 LYS HB2 . 15433 1 1562 . 1 1 125 125 LYS HD2 H 1 1.680 . . 0 . . . . 125 LYS HD2 . 15433 1 1563 . 1 1 125 125 LYS HE2 H 1 2.960 . . 0 . . . . 125 LYS HE2 . 15433 1 1564 . 1 1 125 125 LYS HG2 H 1 1.470 . . 0 . . . . 125 LYS HG1 . 15433 1 1565 . 1 1 125 125 LYS HG3 H 1 1.550 . . 0 . . . . 125 LYS HG2 . 15433 1 1566 . 1 1 125 125 LYS C C 13 175.500 . . 1 . . . . 125 LYS C . 15433 1 1567 . 1 1 125 125 LYS CA C 13 54.000 . . 1 . . . . 125 LYS CA . 15433 1 1568 . 1 1 125 125 LYS CB C 13 36.900 . . 1 . . . . 125 LYS CB . 15433 1 1569 . 1 1 125 125 LYS CD C 13 29.400 . . 1 . . . . 125 LYS CD . 15433 1 1570 . 1 1 125 125 LYS CE C 13 42.400 . . 1 . . . . 125 LYS CE . 15433 1 1571 . 1 1 125 125 LYS CG C 13 25.000 . . 1 . . . . 125 LYS CG . 15433 1 1572 . 1 1 125 125 LYS N N 15 123.634 . . 1 . . . . 125 LYS N . 15433 1 1573 . 1 1 126 126 ARG H H 1 8.742 . . 1 . . . . 126 ARG HN . 15433 1 1574 . 1 1 126 126 ARG HA H 1 4.280 . . 1 . . . . 126 ARG HA . 15433 1 1575 . 1 1 126 126 ARG HB2 H 1 1.750 . . 0 . . . . 126 ARG HB2 . 15433 1 1576 . 1 1 126 126 ARG HD2 H 1 3.130 . . 0 . . . . 126 ARG HD1 . 15433 1 1577 . 1 1 126 126 ARG HD3 H 1 3.350 . . 0 . . . . 126 ARG HD2 . 15433 1 1578 . 1 1 126 126 ARG HE H 1 7.430 . . 1 . . . . 126 ARG HE . 15433 1 1579 . 1 1 126 126 ARG HG2 H 1 1.420 . . 0 . . . . 126 ARG HG1 . 15433 1 1580 . 1 1 126 126 ARG HG3 H 1 1.600 . . 0 . . . . 126 ARG HG2 . 15433 1 1581 . 1 1 126 126 ARG C C 13 175.900 . . 1 . . . . 126 ARG C . 15433 1 1582 . 1 1 126 126 ARG CA C 13 57.400 . . 1 . . . . 126 ARG CA . 15433 1 1583 . 1 1 126 126 ARG CB C 13 31.900 . . 1 . . . . 126 ARG CB . 15433 1 1584 . 1 1 126 126 ARG CD C 13 43.700 . . 1 . . . . 126 ARG CD . 15433 1 1585 . 1 1 126 126 ARG CG C 13 27.400 . . 1 . . . . 126 ARG CG . 15433 1 1586 . 1 1 126 126 ARG N N 15 128.323 . . 1 . . . . 126 ARG N . 15433 1 1587 . 1 1 126 126 ARG NE N 15 85.000 . . 1 . . . . 126 ARG NE . 15433 1 1588 . 1 1 127 127 ILE H H 1 8.495 . . 1 . . . . 127 ILE HN . 15433 1 1589 . 1 1 127 127 ILE HA H 1 4.200 . . 1 . . . . 127 ILE HA . 15433 1 1590 . 1 1 127 127 ILE HB H 1 1.850 . . 1 . . . . 127 ILE HB . 15433 1 1591 . 1 1 127 127 ILE HD11 H 1 0.790 . . 0 . . . . 127 ILE HD11 . 15433 1 1592 . 1 1 127 127 ILE HD12 H 1 0.790 . . 0 . . . . 127 ILE HD11 . 15433 1 1593 . 1 1 127 127 ILE HD13 H 1 0.790 . . 0 . . . . 127 ILE HD11 . 15433 1 1594 . 1 1 127 127 ILE HG12 H 1 0.790 . . 0 . . . . 127 ILE HG11 . 15433 1 1595 . 1 1 127 127 ILE HG13 H 1 1.210 . . 0 . . . . 127 ILE HG12 . 15433 1 1596 . 1 1 127 127 ILE HG21 H 1 0.900 . . 0 . . . . 127 ILE HG21 . 15433 1 1597 . 1 1 127 127 ILE HG22 H 1 0.900 . . 0 . . . . 127 ILE HG21 . 15433 1 1598 . 1 1 127 127 ILE HG23 H 1 0.900 . . 0 . . . . 127 ILE HG21 . 15433 1 1599 . 1 1 127 127 ILE C C 13 180.800 . . 1 . . . . 127 ILE C . 15433 1 1600 . 1 1 127 127 ILE CA C 13 63.000 . . 1 . . . . 127 ILE CA . 15433 1 1601 . 1 1 127 127 ILE CB C 13 40.500 . . 1 . . . . 127 ILE CB . 15433 1 1602 . 1 1 127 127 ILE CD1 C 13 14.500 . . 1 . . . . 127 ILE CD1 . 15433 1 1603 . 1 1 127 127 ILE CG1 C 13 27.500 . . 0 . . . . 127 ILE CG1 . 15433 1 1604 . 1 1 127 127 ILE CG2 C 13 18.800 . . 0 . . . . 127 ILE CG2 . 15433 1 1605 . 1 1 127 127 ILE N N 15 131.901 . . 1 . . . . 127 ILE N . 15433 1 stop_ save_