data_7356 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7356 _Entry.Title ; HN,CA,CB Chemical shift assignments for apo-Rat intestinal fatty acid binding protein, Clofibric acid-Rat intestinal fatty acid binding protein complex, Fenofibric acid-Rat intestinal fatty acid binding protein complex and Tolfenamic acid-Rat intestinal fatty acid binding protein complex. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-12-17 _Entry.Accession_date 2006-12-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Tony Velkov . . . 7356 2 Martin Scanlon . J. . 7356 3 Christopher Porter . J.H. . 7356 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7356 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 247 7356 '15N chemical shifts' 128 7356 '1H chemical shifts' 129 7356 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 2 . . 2008-07-14 2006-12-17 update BMRB 'complete entry citation' 7356 1 . . 2007-03-08 2006-12-17 original author 'original release' 7356 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15082 apo 7356 BMRB 7355 'Clofibric_acid bound' 7356 BMRB 7357 'tolfenamic bound' 7356 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7356 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17462580 _Citation.Full_citation . _Citation.Title ; Examination of the role of intestinal fatty acid-binding protein in drug absorption using a parallel artificial membrane permeability assay. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Chem. Biol.' _Citation.Journal_name_full 'Chemistry & Biology' _Citation.Journal_volume 14 _Citation.Journal_issue 4 _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 453 _Citation.Page_last 465 _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.Entry_ID _Citation_author.Citation_ID 1 Tony Velkov . . . 7356 1 2 James Horne . . . 7356 1 3 Aisha Languerre . . . 7356 1 4 Eric Jones . . . 7356 1 5 Martin Scanlon . J. . 7356 1 6 Christopher Porter . J.H. . 7356 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Intestinal fatty acid binding protein' 7356 1 'intestinal lipophilic drug transport' 7356 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7356 _Assembly.ID 1 _Assembly.Name 'Rat intestinal fatty acid binding protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'single polypeptide chain' 1 $Rat_intestinal_fatty_acid_binding_protein A . yes native no no . . . 7356 1 2 Fenofibric_acid 2 $Fenofibric_acid . . no native no no . . . 7356 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1ICM . . X-ray 1.5 'Structure used for drug docking and chemical shift mapping' . 7356 1 yes PDB 2IFB . . X-ray 2.0 'Structure used for palmitic acid chemical shift mapping' . 7356 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rat_intestinal_fatty_acid_binding_protein _Entity.Sf_category entity _Entity.Sf_framecode Rat_intestinal_fatty_acid_binding_protein _Entity.Entry_ID 7356 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rat_intestinal_fatty_acid_binding_protein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AFDGTWKVDRNENYEKFMEK MGINVVKRKLGAHDNLKLTI TQEGNKFTVKESSNFRNIDV VFELGVDFAYSLADGTELTG TWTMEGNKLVGKFKRVDNGK ELIAVREISGNELIQTYTYE GVEAKRIFKKE ; _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 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14993.0 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15082 . Rat_intestinal_fatty_acid_binding_protein . . . . . 100.00 131 100.00 100.00 2.90e-87 . . . . 7356 1 2 no BMRB 7355 . Rat_intestinal_fatty_acid_binding_protein . . . . . 100.00 131 100.00 100.00 2.90e-87 . . . . 7356 1 3 no BMRB 7357 . Rat_intestinal_fatty_acid_binding_protein . . . . . 100.00 131 100.00 100.00 2.90e-87 . . . . 7356 1 4 no PDB 1AEL . "Nmr Structure Of Apo Intestinal Fatty Acid-Binding Protein, 20 Structures" . . . . . 100.00 131 100.00 100.00 2.90e-87 . . . . 7356 1 5 no PDB 1DC9 . "Properties And Crystal Structure Of A Beta-Barrel Folding Mutant, V60n Intestinal Fatty Acid Binding Protein (Ifabp)" . . . . . 100.00 131 99.24 99.24 3.86e-86 . . . . 7356 1 6 no PDB 1ICM . "Escherichia Coli-Derived Rat Intestinal Fatty Acid Binding Protein With Bound Myristate At 1.5 A Resolution And I- Fabparg106--" . . . . . 100.00 131 100.00 100.00 2.90e-87 . . . . 7356 1 7 no PDB 1ICN . "Escherichia Coli-Derived Rat Intestinal Fatty Acid Binding Protein With Bound Myristate At 1.5 A Resolution And I- Fabparg106--" . . . . . 100.00 131 99.24 100.00 1.11e-86 . . . . 7356 1 8 no PDB 1IFB . "Refined Apoprotein Structure Of Rat Intestinal Fatty Acid Binding Protein Produced In Escherichia Coli" . . . . . 100.00 131 100.00 100.00 2.90e-87 . . . . 7356 1 9 no PDB 1IFC . "Refinement Of The Structure Of Recombinant Rat Intestinal Fatty Acid- Binding Apoprotein At 1.2 Angstroms Resolution" . . . . . 100.00 132 100.00 100.00 2.69e-87 . . . . 7356 1 10 no PDB 1T8V . "The Nmr Structure Of D34a I-Fabp: Implications For The Determinants Of Ligand Binding Stoichiometry" . . . . . 100.00 131 99.24 99.24 3.14e-86 . . . . 7356 1 11 no PDB 1URE . "Nmr Structure Of Intestinal Fatty Acid-Binding Protein Complexed With Palmitate, 20 Structures" . . . . . 100.00 131 100.00 100.00 2.90e-87 . . . . 7356 1 12 no PDB 2IFB . "Crystal Structure Of Rat Intestinal Fatty-acid-binding Protein. Refinement And Analysis Of The Escherichia Coli- Drived Protein" . . . . . 100.00 131 100.00 100.00 2.90e-87 . . . . 7356 1 13 no PDB 3AKN . "X-Ray Structure Of Ifabp From Human And Rat With Bound Fluorescent Fatty Acid Analogue" . . . . . 100.00 131 100.00 100.00 2.90e-87 . . . . 7356 1 14 no GB AAA41133 . "fatty acid binding protein, partial [Rattus norvegicus]" . . . . . 60.31 80 100.00 100.00 3.35e-48 . . . . 7356 1 15 no GB AAA41138 . "intestinal FABP [Rattus norvegicus]" . . . . . 100.00 132 98.47 98.47 1.37e-84 . . . . 7356 1 16 no GB AAA41141 . "fatty acid binding protein (FABP) [Rattus norvegicus]" . . . . . 100.00 132 100.00 100.00 2.69e-87 . . . . 7356 1 17 no GB EDL82110 . "fatty acid binding protein 2, intestinal [Rattus norvegicus]" . . . . . 100.00 132 100.00 100.00 2.69e-87 . . . . 7356 1 18 no PRF 1202232A . "protein,fatty acid binding" . . . . . 100.00 132 100.00 100.00 2.69e-87 . . . . 7356 1 19 no PRF 1202232A:PDB=1IFC . "protein,fatty acid binding" . . . . . 100.00 132 100.00 100.00 2.69e-87 . . . . 7356 1 20 no REF NP_037200 . "fatty acid-binding protein, intestinal [Rattus norvegicus]" . . . . . 100.00 132 100.00 100.00 2.69e-87 . . . . 7356 1 21 no SP P02693 . "RecName: Full=Fatty acid-binding protein, intestinal; AltName: Full=Fatty acid-binding protein 2; AltName: Full=Intestinal-type" . . . . . 100.00 132 100.00 100.00 2.69e-87 . . . . 7356 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'cytosolic fatty acid binding protein' 7356 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 . ALA . 7356 1 2 . PHE . 7356 1 3 . ASP . 7356 1 4 . GLY . 7356 1 5 . THR . 7356 1 6 . TRP . 7356 1 7 . LYS . 7356 1 8 . VAL . 7356 1 9 . ASP . 7356 1 10 . ARG . 7356 1 11 . ASN . 7356 1 12 . GLU . 7356 1 13 . ASN . 7356 1 14 . TYR . 7356 1 15 . GLU . 7356 1 16 . LYS . 7356 1 17 . PHE . 7356 1 18 . MET . 7356 1 19 . GLU . 7356 1 20 . LYS . 7356 1 21 . MET . 7356 1 22 . GLY . 7356 1 23 . ILE . 7356 1 24 . ASN . 7356 1 25 . VAL . 7356 1 26 . VAL . 7356 1 27 . LYS . 7356 1 28 . ARG . 7356 1 29 . LYS . 7356 1 30 . LEU . 7356 1 31 . GLY . 7356 1 32 . ALA . 7356 1 33 . HIS . 7356 1 34 . ASP . 7356 1 35 . ASN . 7356 1 36 . LEU . 7356 1 37 . LYS . 7356 1 38 . LEU . 7356 1 39 . THR . 7356 1 40 . ILE . 7356 1 41 . THR . 7356 1 42 . GLN . 7356 1 43 . GLU . 7356 1 44 . GLY . 7356 1 45 . ASN . 7356 1 46 . LYS . 7356 1 47 . PHE . 7356 1 48 . THR . 7356 1 49 . VAL . 7356 1 50 . LYS . 7356 1 51 . GLU . 7356 1 52 . SER . 7356 1 53 . SER . 7356 1 54 . ASN . 7356 1 55 . PHE . 7356 1 56 . ARG . 7356 1 57 . ASN . 7356 1 58 . ILE . 7356 1 59 . ASP . 7356 1 60 . VAL . 7356 1 61 . VAL . 7356 1 62 . PHE . 7356 1 63 . GLU . 7356 1 64 . LEU . 7356 1 65 . GLY . 7356 1 66 . VAL . 7356 1 67 . ASP . 7356 1 68 . PHE . 7356 1 69 . ALA . 7356 1 70 . TYR . 7356 1 71 . SER . 7356 1 72 . LEU . 7356 1 73 . ALA . 7356 1 74 . ASP . 7356 1 75 . GLY . 7356 1 76 . THR . 7356 1 77 . GLU . 7356 1 78 . LEU . 7356 1 79 . THR . 7356 1 80 . GLY . 7356 1 81 . THR . 7356 1 82 . TRP . 7356 1 83 . THR . 7356 1 84 . MET . 7356 1 85 . GLU . 7356 1 86 . GLY . 7356 1 87 . ASN . 7356 1 88 . LYS . 7356 1 89 . LEU . 7356 1 90 . VAL . 7356 1 91 . GLY . 7356 1 92 . LYS . 7356 1 93 . PHE . 7356 1 94 . LYS . 7356 1 95 . ARG . 7356 1 96 . VAL . 7356 1 97 . ASP . 7356 1 98 . ASN . 7356 1 99 . GLY . 7356 1 100 . LYS . 7356 1 101 . GLU . 7356 1 102 . LEU . 7356 1 103 . ILE . 7356 1 104 . ALA . 7356 1 105 . VAL . 7356 1 106 . ARG . 7356 1 107 . GLU . 7356 1 108 . ILE . 7356 1 109 . SER . 7356 1 110 . GLY . 7356 1 111 . ASN . 7356 1 112 . GLU . 7356 1 113 . LEU . 7356 1 114 . ILE . 7356 1 115 . GLN . 7356 1 116 . THR . 7356 1 117 . TYR . 7356 1 118 . THR . 7356 1 119 . TYR . 7356 1 120 . GLU . 7356 1 121 . GLY . 7356 1 122 . VAL . 7356 1 123 . GLU . 7356 1 124 . ALA . 7356 1 125 . LYS . 7356 1 126 . ARG . 7356 1 127 . ILE . 7356 1 128 . PHE . 7356 1 129 . LYS . 7356 1 130 . LYS . 7356 1 131 . GLU . 7356 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 . ALA 1 1 7356 1 . PHE 2 2 7356 1 . ASP 3 3 7356 1 . GLY 4 4 7356 1 . THR 5 5 7356 1 . TRP 6 6 7356 1 . LYS 7 7 7356 1 . VAL 8 8 7356 1 . ASP 9 9 7356 1 . ARG 10 10 7356 1 . ASN 11 11 7356 1 . GLU 12 12 7356 1 . ASN 13 13 7356 1 . TYR 14 14 7356 1 . GLU 15 15 7356 1 . LYS 16 16 7356 1 . PHE 17 17 7356 1 . MET 18 18 7356 1 . GLU 19 19 7356 1 . LYS 20 20 7356 1 . MET 21 21 7356 1 . GLY 22 22 7356 1 . ILE 23 23 7356 1 . ASN 24 24 7356 1 . VAL 25 25 7356 1 . VAL 26 26 7356 1 . LYS 27 27 7356 1 . ARG 28 28 7356 1 . LYS 29 29 7356 1 . LEU 30 30 7356 1 . GLY 31 31 7356 1 . ALA 32 32 7356 1 . HIS 33 33 7356 1 . ASP 34 34 7356 1 . ASN 35 35 7356 1 . LEU 36 36 7356 1 . LYS 37 37 7356 1 . LEU 38 38 7356 1 . THR 39 39 7356 1 . ILE 40 40 7356 1 . THR 41 41 7356 1 . GLN 42 42 7356 1 . GLU 43 43 7356 1 . GLY 44 44 7356 1 . ASN 45 45 7356 1 . LYS 46 46 7356 1 . PHE 47 47 7356 1 . THR 48 48 7356 1 . VAL 49 49 7356 1 . LYS 50 50 7356 1 . GLU 51 51 7356 1 . SER 52 52 7356 1 . SER 53 53 7356 1 . ASN 54 54 7356 1 . PHE 55 55 7356 1 . ARG 56 56 7356 1 . ASN 57 57 7356 1 . ILE 58 58 7356 1 . ASP 59 59 7356 1 . VAL 60 60 7356 1 . VAL 61 61 7356 1 . PHE 62 62 7356 1 . GLU 63 63 7356 1 . LEU 64 64 7356 1 . GLY 65 65 7356 1 . VAL 66 66 7356 1 . ASP 67 67 7356 1 . PHE 68 68 7356 1 . ALA 69 69 7356 1 . TYR 70 70 7356 1 . SER 71 71 7356 1 . LEU 72 72 7356 1 . ALA 73 73 7356 1 . ASP 74 74 7356 1 . GLY 75 75 7356 1 . THR 76 76 7356 1 . GLU 77 77 7356 1 . LEU 78 78 7356 1 . THR 79 79 7356 1 . GLY 80 80 7356 1 . THR 81 81 7356 1 . TRP 82 82 7356 1 . THR 83 83 7356 1 . MET 84 84 7356 1 . GLU 85 85 7356 1 . GLY 86 86 7356 1 . ASN 87 87 7356 1 . LYS 88 88 7356 1 . LEU 89 89 7356 1 . VAL 90 90 7356 1 . GLY 91 91 7356 1 . LYS 92 92 7356 1 . PHE 93 93 7356 1 . LYS 94 94 7356 1 . ARG 95 95 7356 1 . VAL 96 96 7356 1 . ASP 97 97 7356 1 . ASN 98 98 7356 1 . GLY 99 99 7356 1 . LYS 100 100 7356 1 . GLU 101 101 7356 1 . LEU 102 102 7356 1 . ILE 103 103 7356 1 . ALA 104 104 7356 1 . VAL 105 105 7356 1 . ARG 106 106 7356 1 . GLU 107 107 7356 1 . ILE 108 108 7356 1 . SER 109 109 7356 1 . GLY 110 110 7356 1 . ASN 111 111 7356 1 . GLU 112 112 7356 1 . LEU 113 113 7356 1 . ILE 114 114 7356 1 . GLN 115 115 7356 1 . THR 116 116 7356 1 . TYR 117 117 7356 1 . THR 118 118 7356 1 . TYR 119 119 7356 1 . GLU 120 120 7356 1 . GLY 121 121 7356 1 . VAL 122 122 7356 1 . GLU 123 123 7356 1 . ALA 124 124 7356 1 . LYS 125 125 7356 1 . ARG 126 126 7356 1 . ILE 127 127 7356 1 . PHE 128 128 7356 1 . LYS 129 129 7356 1 . LYS 130 130 7356 1 . GLU 131 131 7356 1 stop_ save_ save_Fenofibric_acid _Entity.Sf_category entity _Entity.Sf_framecode Fenofibric_acid _Entity.Entry_ID 7356 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Fenofibric_acid _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID FENO _Entity.Nonpolymer_comp_label $chem_comp_FENO _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 . FENO . 7356 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 7356 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Rat_intestinal_fatty_acid_binding_protein . 10116 organism . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 7356 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 7356 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Rat_intestinal_fatty_acid_binding_protein . 'recombinant technology' 'Escherichia coli' . . . . . BL21(DE3) . . . . . . . . . . . . . . . pTrc99A . . . . . . 7356 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FENO _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FENO _Chem_comp.Entry_ID 7356 _Chem_comp.ID FENO _Chem_comp.Provenance . _Chem_comp.Name Fenofibric_acid _Chem_comp.Type non_polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code . _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _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 . _Chem_comp.Formula . _Chem_comp.Formula_weight . _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Fenofibric_acid-Rat_FABP2 _Sample.Sf_category sample _Sample.Sf_framecode Fenofibric_acid-Rat_FABP2 _Sample.Entry_ID 7356 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 3 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Rat intestinal fatty acid binding protein' '[U-99% 13C; U-99% 15N]' . . 1 $Rat_intestinal_fatty_acid_binding_protein . . 0.5 . . mM . . . . 7356 1 2 'Fenofibric acid' 'natural abundance' . . . . . . 5 . . mM . . . . 7356 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 7356 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 7356 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond _Sample_condition_list.Entry_ID 7356 _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' 0.05 . M 7356 1 pH 5.5 . pH 7356 1 temperature 295.15 . K 7356 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 7356 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 7356 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 7356 1 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 7356 _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 7356 _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 Inova Varian INOVA . 600 . . . 7356 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 7356 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $Fenofibric_acid-Rat_FABP2 isotropic . . 1 $sample_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7356 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 7356 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7356 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 7356 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7356 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 7356 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond _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 '3D CBCA(CO)NH' 1 $Fenofibric_acid-Rat_FABP2 . 7356 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 7356 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA CA C 13 52.446 0.400 . 1 . . . . 1 ALA CA . 7356 1 2 . 1 1 1 1 ALA CB C 13 19.341 0.400 . 1 . . . . 1 ALA CB . 7356 1 3 . 1 1 2 2 PHE H H 1 9.344 0.040 . 1 . . . . 2 PHE H . 7356 1 4 . 1 1 2 2 PHE CA C 13 59.630 0.400 . 1 . . . . 2 PHE CA . 7356 1 5 . 1 1 2 2 PHE CB C 13 40.060 0.400 . 1 . . . . 2 PHE CB . 7356 1 6 . 1 1 2 2 PHE N N 15 116.902 0.400 . 1 . . . . 2 PHE N . 7356 1 7 . 1 1 3 3 ASP H H 1 7.925 0.040 . 1 . . . . 3 ASP H . 7356 1 8 . 1 1 3 3 ASP CA C 13 55.249 0.400 . 1 . . . . 3 ASP CA . 7356 1 9 . 1 1 3 3 ASP CB C 13 41.564 0.400 . 1 . . . . 3 ASP CB . 7356 1 10 . 1 1 3 3 ASP N N 15 116.650 0.400 . 1 . . . . 3 ASP N . 7356 1 11 . 1 1 4 4 GLY H H 1 8.523 0.040 . 1 . . . . 4 GLY H . 7356 1 12 . 1 1 4 4 GLY CA C 13 43.800 0.400 . 1 . . . . 4 GLY CA . 7356 1 13 . 1 1 4 4 GLY N N 15 108.673 0.400 . 1 . . . . 4 GLY N . 7356 1 14 . 1 1 5 5 THR H H 1 8.356 0.040 . 1 . . . . 5 THR H . 7356 1 15 . 1 1 5 5 THR CA C 13 62.501 0.400 . 1 . . . . 5 THR CA . 7356 1 16 . 1 1 5 5 THR CB C 13 69.807 0.400 . 1 . . . . 5 THR CB . 7356 1 17 . 1 1 5 5 THR N N 15 116.982 0.400 . 1 . . . . 5 THR N . 7356 1 18 . 1 1 6 6 TRP H H 1 9.370 0.040 . 1 . . . . 6 TRP H . 7356 1 19 . 1 1 6 6 TRP CA C 13 54.773 0.400 . 1 . . . . 6 TRP CA . 7356 1 20 . 1 1 6 6 TRP CB C 13 31.374 0.400 . 1 . . . . 6 TRP CB . 7356 1 21 . 1 1 6 6 TRP N N 15 128.043 0.400 . 1 . . . . 6 TRP N . 7356 1 22 . 1 1 7 7 LYS H H 1 9.535 0.040 . 1 . . . . 7 LYS H . 7356 1 23 . 1 1 7 7 LYS CA C 13 54.710 0.400 . 1 . . . . 7 LYS CA . 7356 1 24 . 1 1 7 7 LYS CB C 13 35.435 0.400 . 1 . . . . 7 LYS CB . 7356 1 25 . 1 1 7 7 LYS N N 15 124.563 0.400 . 1 . . . . 7 LYS N . 7356 1 26 . 1 1 8 8 VAL H H 1 8.844 0.040 . 1 . . . . 8 VAL H . 7356 1 27 . 1 1 8 8 VAL CA C 13 65.007 0.400 . 1 . . . . 8 VAL CA . 7356 1 28 . 1 1 8 8 VAL CB C 13 31.360 0.400 . 1 . . . . 8 VAL CB . 7356 1 29 . 1 1 8 8 VAL N N 15 129.569 0.400 . 1 . . . . 8 VAL N . 7356 1 30 . 1 1 9 9 ASP H H 1 9.713 0.040 . 1 . . . . 9 ASP H . 7356 1 31 . 1 1 9 9 ASP CA C 13 55.426 0.400 . 1 . . . . 9 ASP CA . 7356 1 32 . 1 1 9 9 ASP CB C 13 46.845 0.400 . 1 . . . . 9 ASP CB . 7356 1 33 . 1 1 9 9 ASP N N 15 127.602 0.400 . 1 . . . . 9 ASP N . 7356 1 34 . 1 1 10 10 ARG H H 1 7.767 0.040 . 1 . . . . 10 ARG H . 7356 1 35 . 1 1 10 10 ARG CA C 13 54.878 0.400 . 1 . . . . 10 ARG CA . 7356 1 36 . 1 1 10 10 ARG CB C 13 31.659 0.400 . 1 . . . . 10 ARG CB . 7356 1 37 . 1 1 10 10 ARG N N 15 112.863 0.400 . 1 . . . . 10 ARG N . 7356 1 38 . 1 1 11 11 ASN H H 1 8.695 0.040 . 1 . . . . 11 ASN H . 7356 1 39 . 1 1 11 11 ASN CA C 13 51.245 0.400 . 1 . . . . 11 ASN CA . 7356 1 40 . 1 1 11 11 ASN CB C 13 43.567 0.400 . 1 . . . . 11 ASN CB . 7356 1 41 . 1 1 11 11 ASN N N 15 116.618 0.400 . 1 . . . . 11 ASN N . 7356 1 42 . 1 1 12 12 GLU H H 1 9.465 0.040 . 1 . . . . 12 GLU H . 7356 1 43 . 1 1 12 12 GLU CA C 13 55.825 0.400 . 1 . . . . 12 GLU CA . 7356 1 44 . 1 1 12 12 GLU CB C 13 32.584 0.400 . 1 . . . . 12 GLU CB . 7356 1 45 . 1 1 12 12 GLU N N 15 120.480 0.400 . 1 . . . . 12 GLU N . 7356 1 46 . 1 1 13 13 ASN H H 1 9.393 0.040 . 1 . . . . 13 ASN H . 7356 1 47 . 1 1 13 13 ASN CA C 13 54.289 0.400 . 1 . . . . 13 ASN CA . 7356 1 48 . 1 1 13 13 ASN CB C 13 39.909 0.400 . 1 . . . . 13 ASN CB . 7356 1 49 . 1 1 13 13 ASN N N 15 122.578 0.400 . 1 . . . . 13 ASN N . 7356 1 50 . 1 1 14 14 TYR H H 1 8.412 0.040 . 1 . . . . 14 TYR H . 7356 1 51 . 1 1 14 14 TYR CA C 13 58.727 0.400 . 1 . . . . 14 TYR CA . 7356 1 52 . 1 1 14 14 TYR CB C 13 40.390 0.400 . 1 . . . . 14 TYR CB . 7356 1 53 . 1 1 14 14 TYR N N 15 119.309 0.400 . 1 . . . . 14 TYR N . 7356 1 54 . 1 1 15 15 GLU H H 1 9.032 0.040 . 1 . . . . 15 GLU H . 7356 1 55 . 1 1 15 15 GLU CA C 13 61.600 0.400 . 1 . . . . 15 GLU CA . 7356 1 56 . 1 1 15 15 GLU CB C 13 28.040 0.400 . 1 . . . . 15 GLU CB . 7356 1 57 . 1 1 15 15 GLU N N 15 120.021 0.400 . 1 . . . . 15 GLU N . 7356 1 58 . 1 1 16 16 LYS H H 1 8.321 0.040 . 1 . . . . 16 LYS H . 7356 1 59 . 1 1 16 16 LYS CA C 13 58.440 0.400 . 1 . . . . 16 LYS CA . 7356 1 60 . 1 1 16 16 LYS CB C 13 31.448 0.400 . 1 . . . . 16 LYS CB . 7356 1 61 . 1 1 16 16 LYS N N 15 119.907 0.400 . 1 . . . . 16 LYS N . 7356 1 62 . 1 1 17 17 PHE H H 1 7.826 0.040 . 1 . . . . 17 PHE H . 7356 1 63 . 1 1 17 17 PHE CA C 13 62.847 0.400 . 1 . . . . 17 PHE CA . 7356 1 64 . 1 1 17 17 PHE CB C 13 41.029 0.400 . 1 . . . . 17 PHE CB . 7356 1 65 . 1 1 17 17 PHE N N 15 121.976 0.400 . 1 . . . . 17 PHE N . 7356 1 66 . 1 1 18 18 MET H H 1 8.574 0.040 . 1 . . . . 18 MET H . 7356 1 67 . 1 1 18 18 MET CA C 13 60.073 0.400 . 1 . . . . 18 MET CA . 7356 1 68 . 1 1 18 18 MET CB C 13 35.466 0.400 . 1 . . . . 18 MET CB . 7356 1 69 . 1 1 18 18 MET N N 15 117.813 0.400 . 1 . . . . 18 MET N . 7356 1 70 . 1 1 19 19 GLU H H 1 7.860 0.040 . 1 . . . . 19 GLU H . 7356 1 71 . 1 1 19 19 GLU CA C 13 59.858 0.400 . 1 . . . . 19 GLU CA . 7356 1 72 . 1 1 19 19 GLU CB C 13 29.530 0.400 . 1 . . . . 19 GLU CB . 7356 1 73 . 1 1 19 19 GLU N N 15 118.455 0.400 . 1 . . . . 19 GLU N . 7356 1 74 . 1 1 20 20 LYS H H 1 8.030 0.040 . 1 . . . . 20 LYS H . 7356 1 75 . 1 1 20 20 LYS CA C 13 57.420 0.400 . 1 . . . . 20 LYS CA . 7356 1 76 . 1 1 20 20 LYS CB C 13 31.431 0.400 . 1 . . . . 20 LYS CB . 7356 1 77 . 1 1 20 20 LYS N N 15 123.737 0.400 . 1 . . . . 20 LYS N . 7356 1 78 . 1 1 21 21 MET H H 1 7.708 0.040 . 1 . . . . 21 MET H . 7356 1 79 . 1 1 21 21 MET CA C 13 55.821 0.400 . 1 . . . . 21 MET CA . 7356 1 80 . 1 1 21 21 MET CB C 13 32.617 0.400 . 1 . . . . 21 MET CB . 7356 1 81 . 1 1 21 21 MET N N 15 115.285 0.400 . 1 . . . . 21 MET N . 7356 1 82 . 1 1 22 22 GLY H H 1 7.671 0.040 . 1 . . . . 22 GLY H . 7356 1 83 . 1 1 22 22 GLY CA C 13 45.457 0.400 . 1 . . . . 22 GLY CA . 7356 1 84 . 1 1 22 22 GLY N N 15 107.757 0.400 . 1 . . . . 22 GLY N . 7356 1 85 . 1 1 23 23 ILE H H 1 7.189 0.040 . 1 . . . . 23 ILE H . 7356 1 86 . 1 1 23 23 ILE CA C 13 59.198 0.400 . 1 . . . . 23 ILE CA . 7356 1 87 . 1 1 23 23 ILE CB C 13 36.146 0.400 . 1 . . . . 23 ILE CB . 7356 1 88 . 1 1 23 23 ILE N N 15 120.290 0.400 . 1 . . . . 23 ILE N . 7356 1 89 . 1 1 24 24 ASN H H 1 8.875 0.040 . 1 . . . . 24 ASN H . 7356 1 90 . 1 1 24 24 ASN CA C 13 54.594 0.400 . 1 . . . . 24 ASN CA . 7356 1 91 . 1 1 24 24 ASN CB C 13 40.027 0.400 . 1 . . . . 24 ASN CB . 7356 1 92 . 1 1 24 24 ASN N N 15 127.691 0.400 . 1 . . . . 24 ASN N . 7356 1 93 . 1 1 25 25 VAL H H 1 8.521 0.040 . 1 . . . . 25 VAL H . 7356 1 94 . 1 1 25 25 VAL CA C 13 66.478 0.400 . 1 . . . . 25 VAL CA . 7356 1 95 . 1 1 25 25 VAL CB C 13 32.040 0.400 . 1 . . . . 25 VAL CB . 7356 1 96 . 1 1 25 25 VAL N N 15 122.330 0.400 . 1 . . . . 25 VAL N . 7356 1 97 . 1 1 26 26 VAL H H 1 7.629 0.040 . 1 . . . . 26 VAL H . 7356 1 98 . 1 1 26 26 VAL CA C 13 66.178 0.400 . 1 . . . . 26 VAL CA . 7356 1 99 . 1 1 26 26 VAL CB C 13 31.818 0.400 . 1 . . . . 26 VAL CB . 7356 1 100 . 1 1 26 26 VAL N N 15 120.693 0.400 . 1 . . . . 26 VAL N . 7356 1 101 . 1 1 27 27 LYS H H 1 7.713 0.040 . 1 . . . . 27 LYS H . 7356 1 102 . 1 1 27 27 LYS CA C 13 58.707 0.400 . 1 . . . . 27 LYS CA . 7356 1 103 . 1 1 27 27 LYS CB C 13 32.676 0.400 . 1 . . . . 27 LYS CB . 7356 1 104 . 1 1 27 27 LYS N N 15 118.193 0.400 . 1 . . . . 27 LYS N . 7356 1 105 . 1 1 28 28 ARG H H 1 8.611 0.040 . 1 . . . . 28 ARG H . 7356 1 106 . 1 1 28 28 ARG CA C 13 59.492 0.400 . 1 . . . . 28 ARG CA . 7356 1 107 . 1 1 28 28 ARG CB C 13 30.796 0.400 . 1 . . . . 28 ARG CB . 7356 1 108 . 1 1 28 28 ARG N N 15 119.571 0.400 . 1 . . . . 28 ARG N . 7356 1 109 . 1 1 29 29 LYS H H 1 7.633 0.040 . 1 . . . . 29 LYS H . 7356 1 110 . 1 1 29 29 LYS CA C 13 59.322 0.400 . 1 . . . . 29 LYS CA . 7356 1 111 . 1 1 29 29 LYS CB C 13 32.020 0.400 . 1 . . . . 29 LYS CB . 7356 1 112 . 1 1 29 29 LYS N N 15 119.510 0.400 . 1 . . . . 29 LYS N . 7356 1 113 . 1 1 30 30 LEU H H 1 7.424 0.040 . 1 . . . . 30 LEU H . 7356 1 114 . 1 1 30 30 LEU CA C 13 56.479 0.400 . 1 . . . . 30 LEU CA . 7356 1 115 . 1 1 30 30 LEU CB C 13 42.324 0.400 . 1 . . . . 30 LEU CB . 7356 1 116 . 1 1 30 30 LEU N N 15 117.853 0.400 . 1 . . . . 30 LEU N . 7356 1 117 . 1 1 31 31 GLY H H 1 8.748 0.040 . 1 . . . . 31 GLY H . 7356 1 118 . 1 1 31 31 GLY CA C 13 47.566 0.400 . 1 . . . . 31 GLY CA . 7356 1 119 . 1 1 31 31 GLY N N 15 107.638 0.400 . 1 . . . . 31 GLY N . 7356 1 120 . 1 1 32 32 ALA H H 1 8.014 0.040 . 1 . . . . 32 ALA H . 7356 1 121 . 1 1 32 32 ALA CA C 13 53.801 0.400 . 1 . . . . 32 ALA CA . 7356 1 122 . 1 1 32 32 ALA CB C 13 18.585 0.400 . 1 . . . . 32 ALA CB . 7356 1 123 . 1 1 32 32 ALA N N 15 119.748 0.400 . 1 . . . . 32 ALA N . 7356 1 124 . 1 1 33 33 HIS H H 1 7.433 0.040 . 1 . . . . 33 HIS H . 7356 1 125 . 1 1 33 33 HIS CA C 13 53.824 0.400 . 1 . . . . 33 HIS CA . 7356 1 126 . 1 1 33 33 HIS CB C 13 28.625 0.400 . 1 . . . . 33 HIS CB . 7356 1 127 . 1 1 33 33 HIS N N 15 117.615 0.400 . 1 . . . . 33 HIS N . 7356 1 128 . 1 1 34 34 ASP H H 1 7.136 0.040 . 1 . . . . 34 ASP H . 7356 1 129 . 1 1 34 34 ASP CA C 13 54.777 0.400 . 1 . . . . 34 ASP CA . 7356 1 130 . 1 1 34 34 ASP CB C 13 41.164 0.400 . 1 . . . . 34 ASP CB . 7356 1 131 . 1 1 34 34 ASP N N 15 117.512 0.400 . 1 . . . . 34 ASP N . 7356 1 132 . 1 1 35 35 ASN H H 1 9.244 0.040 . 1 . . . . 35 ASN H . 7356 1 133 . 1 1 35 35 ASN CA C 13 53.718 0.400 . 1 . . . . 35 ASN CA . 7356 1 134 . 1 1 35 35 ASN CB C 13 37.577 0.400 . 1 . . . . 35 ASN CB . 7356 1 135 . 1 1 35 35 ASN N N 15 119.078 0.400 . 1 . . . . 35 ASN N . 7356 1 136 . 1 1 36 36 LEU H H 1 6.959 0.040 . 1 . . . . 36 LEU H . 7356 1 137 . 1 1 36 36 LEU CA C 13 57.112 0.400 . 1 . . . . 36 LEU CA . 7356 1 138 . 1 1 36 36 LEU CB C 13 42.274 0.400 . 1 . . . . 36 LEU CB . 7356 1 139 . 1 1 36 36 LEU N N 15 118.910 0.400 . 1 . . . . 36 LEU N . 7356 1 140 . 1 1 37 37 LYS H H 1 9.588 0.040 . 1 . . . . 37 LYS H . 7356 1 141 . 1 1 37 37 LYS CA C 13 54.752 0.400 . 1 . . . . 37 LYS CA . 7356 1 142 . 1 1 37 37 LYS CB C 13 36.393 0.400 . 1 . . . . 37 LYS CB . 7356 1 143 . 1 1 37 37 LYS N N 15 127.702 0.400 . 1 . . . . 37 LYS N . 7356 1 144 . 1 1 38 38 LEU H H 1 9.356 0.040 . 1 . . . . 38 LEU H . 7356 1 145 . 1 1 38 38 LEU CA C 13 52.567 0.400 . 1 . . . . 38 LEU CA . 7356 1 146 . 1 1 38 38 LEU CB C 13 45.812 0.400 . 1 . . . . 38 LEU CB . 7356 1 147 . 1 1 38 38 LEU N N 15 123.152 0.400 . 1 . . . . 38 LEU N . 7356 1 148 . 1 1 39 39 THR H H 1 9.142 0.040 . 1 . . . . 39 THR H . 7356 1 149 . 1 1 39 39 THR CA C 13 62.478 0.400 . 1 . . . . 39 THR CA . 7356 1 150 . 1 1 39 39 THR CB C 13 70.146 0.400 . 1 . . . . 39 THR CB . 7356 1 151 . 1 1 39 39 THR N N 15 120.992 0.400 . 1 . . . . 39 THR N . 7356 1 152 . 1 1 40 40 ILE H H 1 9.572 0.040 . 1 . . . . 40 ILE H . 7356 1 153 . 1 1 40 40 ILE CA C 13 61.631 0.400 . 1 . . . . 40 ILE CA . 7356 1 154 . 1 1 40 40 ILE CB C 13 40.020 0.400 . 1 . . . . 40 ILE CB . 7356 1 155 . 1 1 40 40 ILE N N 15 129.212 0.400 . 1 . . . . 40 ILE N . 7356 1 156 . 1 1 41 41 THR H H 1 8.773 0.040 . 1 . . . . 41 THR H . 7356 1 157 . 1 1 41 41 THR CA C 13 61.663 0.400 . 1 . . . . 41 THR CA . 7356 1 158 . 1 1 41 41 THR CB C 13 71.506 0.400 . 1 . . . . 41 THR CB . 7356 1 159 . 1 1 41 41 THR N N 15 123.021 0.400 . 1 . . . . 41 THR N . 7356 1 160 . 1 1 42 42 GLN H H 1 8.982 0.040 . 1 . . . . 42 GLN H . 7356 1 161 . 1 1 42 42 GLN CA C 13 54.420 0.400 . 1 . . . . 42 GLN CA . 7356 1 162 . 1 1 42 42 GLN CB C 13 29.615 0.400 . 1 . . . . 42 GLN CB . 7356 1 163 . 1 1 42 42 GLN N N 15 128.747 0.400 . 1 . . . . 42 GLN N . 7356 1 164 . 1 1 43 43 GLU H H 1 8.890 0.040 . 1 . . . . 43 GLU H . 7356 1 165 . 1 1 43 43 GLU CA C 13 54.767 0.400 . 1 . . . . 43 GLU CA . 7356 1 166 . 1 1 43 43 GLU CB C 13 31.296 0.400 . 1 . . . . 43 GLU CB . 7356 1 167 . 1 1 43 43 GLU N N 15 129.529 0.400 . 1 . . . . 43 GLU N . 7356 1 168 . 1 1 44 44 GLY H H 1 9.027 0.040 . 1 . . . . 44 GLY H . 7356 1 169 . 1 1 44 44 GLY CA C 13 47.378 0.400 . 1 . . . . 44 GLY CA . 7356 1 170 . 1 1 44 44 GLY N N 15 117.710 0.400 . 1 . . . . 44 GLY N . 7356 1 171 . 1 1 45 45 ASN H H 1 8.902 0.040 . 1 . . . . 45 ASN H . 7356 1 172 . 1 1 45 45 ASN CA C 13 53.040 0.400 . 1 . . . . 45 ASN CA . 7356 1 173 . 1 1 45 45 ASN CB C 13 38.944 0.400 . 1 . . . . 45 ASN CB . 7356 1 174 . 1 1 45 45 ASN N N 15 125.561 0.400 . 1 . . . . 45 ASN N . 7356 1 175 . 1 1 46 46 LYS H H 1 7.950 0.040 . 1 . . . . 46 LYS H . 7356 1 176 . 1 1 46 46 LYS CA C 13 55.616 0.400 . 1 . . . . 46 LYS CA . 7356 1 177 . 1 1 46 46 LYS CB C 13 34.422 0.400 . 1 . . . . 46 LYS CB . 7356 1 178 . 1 1 46 46 LYS N N 15 120.733 0.400 . 1 . . . . 46 LYS N . 7356 1 179 . 1 1 47 47 PHE H H 1 9.107 0.040 . 1 . . . . 47 PHE H . 7356 1 180 . 1 1 47 47 PHE CA C 13 56.398 0.400 . 1 . . . . 47 PHE CA . 7356 1 181 . 1 1 47 47 PHE CB C 13 42.787 0.400 . 1 . . . . 47 PHE CB . 7356 1 182 . 1 1 47 47 PHE N N 15 126.039 0.400 . 1 . . . . 47 PHE N . 7356 1 183 . 1 1 48 48 THR H H 1 8.316 0.040 . 1 . . . . 48 THR H . 7356 1 184 . 1 1 48 48 THR CA C 13 62.043 0.400 . 1 . . . . 48 THR CA . 7356 1 185 . 1 1 48 48 THR CB C 13 70.037 0.400 . 1 . . . . 48 THR CB . 7356 1 186 . 1 1 48 48 THR N N 15 115.637 0.400 . 1 . . . . 48 THR N . 7356 1 187 . 1 1 49 49 VAL H H 1 9.665 0.040 . 1 . . . . 49 VAL H . 7356 1 188 . 1 1 49 49 VAL CA C 13 60.573 0.400 . 1 . . . . 49 VAL CA . 7356 1 189 . 1 1 49 49 VAL CB C 13 34.282 0.400 . 1 . . . . 49 VAL CB . 7356 1 190 . 1 1 49 49 VAL N N 15 127.998 0.400 . 1 . . . . 49 VAL N . 7356 1 191 . 1 1 50 50 LYS H H 1 9.276 0.040 . 1 . . . . 50 LYS H . 7356 1 192 . 1 1 50 50 LYS CA C 13 55.614 0.400 . 1 . . . . 50 LYS CA . 7356 1 193 . 1 1 50 50 LYS CB C 13 32.107 0.400 . 1 . . . . 50 LYS CB . 7356 1 194 . 1 1 50 50 LYS N N 15 128.300 0.400 . 1 . . . . 50 LYS N . 7356 1 195 . 1 1 51 51 GLU H H 1 9.389 0.040 . 1 . . . . 51 GLU H . 7356 1 196 . 1 1 51 51 GLU CA C 13 55.004 0.400 . 1 . . . . 51 GLU CA . 7356 1 197 . 1 1 51 51 GLU CB C 13 30.817 0.400 . 1 . . . . 51 GLU CB . 7356 1 198 . 1 1 51 51 GLU N N 15 128.781 0.400 . 1 . . . . 51 GLU N . 7356 1 199 . 1 1 52 52 SER H H 1 9.071 0.040 . 1 . . . . 52 SER H . 7356 1 200 . 1 1 52 52 SER CA C 13 56.525 0.400 . 1 . . . . 52 SER CA . 7356 1 201 . 1 1 52 52 SER CB C 13 65.163 0.400 . 1 . . . . 52 SER CB . 7356 1 202 . 1 1 52 52 SER N N 15 121.107 0.400 . 1 . . . . 52 SER N . 7356 1 203 . 1 1 53 53 SER H H 1 9.014 0.040 . 1 . . . . 53 SER H . 7356 1 204 . 1 1 53 53 SER CA C 13 57.169 0.400 . 1 . . . . 53 SER CA . 7356 1 205 . 1 1 53 53 SER CB C 13 67.962 0.400 . 1 . . . . 53 SER CB . 7356 1 206 . 1 1 53 53 SER N N 15 121.105 0.400 . 1 . . . . 53 SER N . 7356 1 207 . 1 1 54 54 ASN H H 1 9.223 0.040 . 1 . . . . 54 ASN H . 7356 1 208 . 1 1 54 54 ASN CA C 13 54.448 0.400 . 1 . . . . 54 ASN CA . 7356 1 209 . 1 1 54 54 ASN CB C 13 37.891 0.400 . 1 . . . . 54 ASN CB . 7356 1 210 . 1 1 54 54 ASN N N 15 115.752 0.400 . 1 . . . . 54 ASN N . 7356 1 211 . 1 1 55 55 PHE H H 1 8.207 0.040 . 1 . . . . 55 PHE H . 7356 1 212 . 1 1 55 55 PHE CA C 13 59.927 0.400 . 1 . . . . 55 PHE CA . 7356 1 213 . 1 1 55 55 PHE CB C 13 40.571 0.400 . 1 . . . . 55 PHE CB . 7356 1 214 . 1 1 55 55 PHE N N 15 114.128 0.400 . 1 . . . . 55 PHE N . 7356 1 215 . 1 1 56 56 ARG H H 1 7.463 0.040 . 1 . . . . 56 ARG H . 7356 1 216 . 1 1 56 56 ARG CA C 13 55.452 0.400 . 1 . . . . 56 ARG CA . 7356 1 217 . 1 1 56 56 ARG CB C 13 30.685 0.400 . 1 . . . . 56 ARG CB . 7356 1 218 . 1 1 56 56 ARG N N 15 112.282 0.400 . 1 . . . . 56 ARG N . 7356 1 219 . 1 1 57 57 ASN H H 1 8.543 0.040 . 1 . . . . 57 ASN H . 7356 1 220 . 1 1 57 57 ASN CA C 13 52.864 0.400 . 1 . . . . 57 ASN CA . 7356 1 221 . 1 1 57 57 ASN CB C 13 40.590 0.400 . 1 . . . . 57 ASN CB . 7356 1 222 . 1 1 57 57 ASN N N 15 119.095 0.400 . 1 . . . . 57 ASN N . 7356 1 223 . 1 1 58 58 ILE H H 1 8.892 0.040 . 1 . . . . 58 ILE H . 7356 1 224 . 1 1 58 58 ILE CA C 13 59.947 0.400 . 1 . . . . 58 ILE CA . 7356 1 225 . 1 1 58 58 ILE CB C 13 43.028 0.400 . 1 . . . . 58 ILE CB . 7356 1 226 . 1 1 58 58 ILE N N 15 117.658 0.400 . 1 . . . . 58 ILE N . 7356 1 227 . 1 1 59 59 ASP H H 1 8.527 0.040 . 1 . . . . 59 ASP H . 7356 1 228 . 1 1 59 59 ASP CA C 13 53.404 0.400 . 1 . . . . 59 ASP CA . 7356 1 229 . 1 1 59 59 ASP CB C 13 33.052 0.400 . 1 . . . . 59 ASP CB . 7356 1 230 . 1 1 59 59 ASP N N 15 123.204 0.400 . 1 . . . . 59 ASP N . 7356 1 231 . 1 1 60 60 VAL H H 1 9.130 0.040 . 1 . . . . 60 VAL H . 7356 1 232 . 1 1 60 60 VAL CA C 13 61.856 0.400 . 1 . . . . 60 VAL CA . 7356 1 233 . 1 1 60 60 VAL CB C 13 34.342 0.400 . 1 . . . . 60 VAL CB . 7356 1 234 . 1 1 60 60 VAL N N 15 123.349 0.400 . 1 . . . . 60 VAL N . 7356 1 235 . 1 1 61 61 VAL H H 1 8.259 0.040 . 1 . . . . 61 VAL H . 7356 1 236 . 1 1 61 61 VAL CA C 13 60.028 0.400 . 1 . . . . 61 VAL CA . 7356 1 237 . 1 1 61 61 VAL CB C 13 34.415 0.400 . 1 . . . . 61 VAL CB . 7356 1 238 . 1 1 61 61 VAL N N 15 125.868 0.400 . 1 . . . . 61 VAL N . 7356 1 239 . 1 1 62 62 PHE H H 1 8.390 0.040 . 1 . . . . 62 PHE H . 7356 1 240 . 1 1 62 62 PHE CA C 13 55.515 0.400 . 1 . . . . 62 PHE CA . 7356 1 241 . 1 1 62 62 PHE CB C 13 40.516 0.400 . 1 . . . . 62 PHE CB . 7356 1 242 . 1 1 62 62 PHE N N 15 121.454 0.400 . 1 . . . . 62 PHE N . 7356 1 243 . 1 1 63 63 GLU H H 1 9.466 0.040 . 1 . . . . 63 GLU H . 7356 1 244 . 1 1 63 63 GLU CA C 13 53.589 0.400 . 1 . . . . 63 GLU CA . 7356 1 245 . 1 1 63 63 GLU CB C 13 32.507 0.400 . 1 . . . . 63 GLU CB . 7356 1 246 . 1 1 63 63 GLU N N 15 120.486 0.400 . 1 . . . . 63 GLU N . 7356 1 247 . 1 1 64 64 LEU H H 1 8.958 0.040 . 1 . . . . 64 LEU H . 7356 1 248 . 1 1 64 64 LEU CA C 13 56.374 0.400 . 1 . . . . 64 LEU CA . 7356 1 249 . 1 1 64 64 LEU CB C 13 41.190 0.400 . 1 . . . . 64 LEU CB . 7356 1 250 . 1 1 64 64 LEU N N 15 125.205 0.400 . 1 . . . . 64 LEU N . 7356 1 251 . 1 1 65 65 GLY H H 1 9.305 0.040 . 1 . . . . 65 GLY H . 7356 1 252 . 1 1 65 65 GLY CA C 13 46.139 0.400 . 1 . . . . 65 GLY CA . 7356 1 253 . 1 1 65 65 GLY N N 15 108.380 0.400 . 1 . . . . 65 GLY N . 7356 1 254 . 1 1 66 66 VAL H H 1 7.952 0.040 . 1 . . . . 66 VAL H . 7356 1 255 . 1 1 66 66 VAL CA C 13 62.476 0.400 . 1 . . . . 66 VAL CA . 7356 1 256 . 1 1 66 66 VAL CB C 13 32.717 0.400 . 1 . . . . 66 VAL CB . 7356 1 257 . 1 1 66 66 VAL N N 15 122.426 0.400 . 1 . . . . 66 VAL N . 7356 1 258 . 1 1 67 67 ASP H H 1 8.792 0.040 . 1 . . . . 67 ASP H . 7356 1 259 . 1 1 67 67 ASP CA C 13 55.420 0.400 . 1 . . . . 67 ASP CA . 7356 1 260 . 1 1 67 67 ASP CB C 13 41.774 0.400 . 1 . . . . 67 ASP CB . 7356 1 261 . 1 1 67 67 ASP N N 15 132.355 0.400 . 1 . . . . 67 ASP N . 7356 1 262 . 1 1 68 68 PHE H H 1 9.272 0.040 . 1 . . . . 68 PHE H . 7356 1 263 . 1 1 68 68 PHE CA C 13 56.066 0.400 . 1 . . . . 68 PHE CA . 7356 1 264 . 1 1 68 68 PHE CB C 13 41.819 0.400 . 1 . . . . 68 PHE CB . 7356 1 265 . 1 1 68 68 PHE N N 15 120.308 0.400 . 1 . . . . 68 PHE N . 7356 1 266 . 1 1 69 69 ALA H H 1 8.401 0.040 . 1 . . . . 69 ALA H . 7356 1 267 . 1 1 69 69 ALA CA C 13 50.853 0.400 . 1 . . . . 69 ALA CA . 7356 1 268 . 1 1 69 69 ALA CB C 13 21.071 0.400 . 1 . . . . 69 ALA CB . 7356 1 269 . 1 1 69 69 ALA N N 15 122.156 0.400 . 1 . . . . 69 ALA N . 7356 1 270 . 1 1 70 70 TYR H H 1 8.465 0.040 . 1 . . . . 70 TYR H . 7356 1 271 . 1 1 70 70 TYR CA C 13 57.824 0.400 . 1 . . . . 70 TYR CA . 7356 1 272 . 1 1 70 70 TYR CB C 13 42.967 0.400 . 1 . . . . 70 TYR CB . 7356 1 273 . 1 1 70 70 TYR N N 15 123.605 0.400 . 1 . . . . 70 TYR N . 7356 1 274 . 1 1 71 71 SER H H 1 7.773 0.040 . 1 . . . . 71 SER H . 7356 1 275 . 1 1 71 71 SER CA C 13 56.090 0.400 . 1 . . . . 71 SER CA . 7356 1 276 . 1 1 71 71 SER CB C 13 64.627 0.400 . 1 . . . . 71 SER CB . 7356 1 277 . 1 1 71 71 SER N N 15 121.114 0.400 . 1 . . . . 71 SER N . 7356 1 278 . 1 1 72 72 LEU H H 1 9.037 0.040 . 1 . . . . 72 LEU H . 7356 1 279 . 1 1 72 72 LEU CA C 13 54.372 0.400 . 1 . . . . 72 LEU CA . 7356 1 280 . 1 1 72 72 LEU N N 15 122.312 0.400 . 1 . . . . 72 LEU N . 7356 1 281 . 1 1 73 73 ALA CA C 13 54.548 0.400 . 1 . . . . 73 ALA CA . 7356 1 282 . 1 1 73 73 ALA CB C 13 17.505 0.400 . 1 . . . . 73 ALA CB . 7356 1 283 . 1 1 74 74 ASP H H 1 7.666 0.040 . 1 . . . . 74 ASP H . 7356 1 284 . 1 1 74 74 ASP CA C 13 53.126 0.400 . 1 . . . . 74 ASP CA . 7356 1 285 . 1 1 74 74 ASP CB C 13 40.155 0.400 . 1 . . . . 74 ASP CB . 7356 1 286 . 1 1 74 74 ASP N N 15 114.729 0.400 . 1 . . . . 74 ASP N . 7356 1 287 . 1 1 75 75 GLY H H 1 7.978 0.040 . 1 . . . . 75 GLY H . 7356 1 288 . 1 1 75 75 GLY CA C 13 44.469 0.400 . 1 . . . . 75 GLY CA . 7356 1 289 . 1 1 75 75 GLY N N 15 108.861 0.400 . 1 . . . . 75 GLY N . 7356 1 290 . 1 1 76 76 THR H H 1 7.786 0.040 . 1 . . . . 76 THR H . 7356 1 291 . 1 1 76 76 THR CA C 13 64.989 0.400 . 1 . . . . 76 THR CA . 7356 1 292 . 1 1 76 76 THR CB C 13 67.908 0.400 . 1 . . . . 76 THR CB . 7356 1 293 . 1 1 76 76 THR N N 15 119.337 0.400 . 1 . . . . 76 THR N . 7356 1 294 . 1 1 77 77 GLU H H 1 8.617 0.040 . 1 . . . . 77 GLU H . 7356 1 295 . 1 1 77 77 GLU CA C 13 57.307 0.400 . 1 . . . . 77 GLU CA . 7356 1 296 . 1 1 77 77 GLU CB C 13 30.857 0.400 . 1 . . . . 77 GLU CB . 7356 1 297 . 1 1 77 77 GLU N N 15 128.947 0.400 . 1 . . . . 77 GLU N . 7356 1 298 . 1 1 78 78 LEU H H 1 8.942 0.040 . 1 . . . . 78 LEU H . 7356 1 299 . 1 1 78 78 LEU CA C 13 53.491 0.400 . 1 . . . . 78 LEU CA . 7356 1 300 . 1 1 78 78 LEU CB C 13 46.440 0.400 . 1 . . . . 78 LEU CB . 7356 1 301 . 1 1 78 78 LEU N N 15 122.241 0.400 . 1 . . . . 78 LEU N . 7356 1 302 . 1 1 79 79 THR H H 1 8.563 0.040 . 1 . . . . 79 THR H . 7356 1 303 . 1 1 79 79 THR CA C 13 60.475 0.400 . 1 . . . . 79 THR CA . 7356 1 304 . 1 1 79 79 THR CB C 13 70.821 0.400 . 1 . . . . 79 THR CB . 7356 1 305 . 1 1 79 79 THR N N 15 112.822 0.400 . 1 . . . . 79 THR N . 7356 1 306 . 1 1 80 80 GLY H H 1 8.518 0.040 . 1 . . . . 80 GLY H . 7356 1 307 . 1 1 80 80 GLY CA C 13 46.572 0.400 . 1 . . . . 80 GLY CA . 7356 1 308 . 1 1 80 80 GLY N N 15 110.773 0.400 . 1 . . . . 80 GLY N . 7356 1 309 . 1 1 81 81 THR H H 1 6.774 0.040 . 1 . . . . 81 THR H . 7356 1 310 . 1 1 81 81 THR CA C 13 60.405 0.400 . 1 . . . . 81 THR CA . 7356 1 311 . 1 1 81 81 THR CB C 13 72.899 0.400 . 1 . . . . 81 THR CB . 7356 1 312 . 1 1 81 81 THR N N 15 107.088 0.400 . 1 . . . . 81 THR N . 7356 1 313 . 1 1 82 82 TRP H H 1 9.348 0.040 . 1 . . . . 82 TRP H . 7356 1 314 . 1 1 82 82 TRP CA C 13 55.866 0.400 . 1 . . . . 82 TRP CA . 7356 1 315 . 1 1 82 82 TRP CB C 13 32.527 0.400 . 1 . . . . 82 TRP CB . 7356 1 316 . 1 1 82 82 TRP N N 15 123.648 0.400 . 1 . . . . 82 TRP N . 7356 1 317 . 1 1 83 83 THR H H 1 9.304 0.040 . 1 . . . . 83 THR H . 7356 1 318 . 1 1 83 83 THR CA C 13 60.440 0.400 . 1 . . . . 83 THR CA . 7356 1 319 . 1 1 83 83 THR CB C 13 72.115 0.400 . 1 . . . . 83 THR CB . 7356 1 320 . 1 1 83 83 THR N N 15 113.672 0.400 . 1 . . . . 83 THR N . 7356 1 321 . 1 1 84 84 MET H H 1 8.928 0.040 . 1 . . . . 84 MET H . 7356 1 322 . 1 1 84 84 MET CA C 13 54.041 0.400 . 1 . . . . 84 MET CA . 7356 1 323 . 1 1 84 84 MET CB C 13 33.045 0.400 . 1 . . . . 84 MET CB . 7356 1 324 . 1 1 84 84 MET N N 15 121.310 0.400 . 1 . . . . 84 MET N . 7356 1 325 . 1 1 85 85 GLU H H 1 9.089 0.040 . 1 . . . . 85 GLU H . 7356 1 326 . 1 1 85 85 GLU CA C 13 54.872 0.400 . 1 . . . . 85 GLU CA . 7356 1 327 . 1 1 85 85 GLU CB C 13 30.615 0.400 . 1 . . . . 85 GLU CB . 7356 1 328 . 1 1 85 85 GLU N N 15 127.774 0.400 . 1 . . . . 85 GLU N . 7356 1 329 . 1 1 86 86 GLY H H 1 9.072 0.040 . 1 . . . . 86 GLY H . 7356 1 330 . 1 1 86 86 GLY CA C 13 47.664 0.400 . 1 . . . . 86 GLY CA . 7356 1 331 . 1 1 86 86 GLY N N 15 117.172 0.400 . 1 . . . . 86 GLY N . 7356 1 332 . 1 1 87 87 ASN H H 1 8.858 0.040 . 1 . . . . 87 ASN H . 7356 1 333 . 1 1 87 87 ASN CA C 13 53.194 0.400 . 1 . . . . 87 ASN CA . 7356 1 334 . 1 1 87 87 ASN CB C 13 38.639 0.400 . 1 . . . . 87 ASN CB . 7356 1 335 . 1 1 87 87 ASN N N 15 123.455 0.400 . 1 . . . . 87 ASN N . 7356 1 336 . 1 1 88 88 LYS H H 1 8.032 0.040 . 1 . . . . 88 LYS H . 7356 1 337 . 1 1 88 88 LYS CA C 13 55.761 0.400 . 1 . . . . 88 LYS CA . 7356 1 338 . 1 1 88 88 LYS CB C 13 34.816 0.400 . 1 . . . . 88 LYS CB . 7356 1 339 . 1 1 88 88 LYS N N 15 119.280 0.400 . 1 . . . . 88 LYS N . 7356 1 340 . 1 1 89 89 LEU H H 1 8.549 0.040 . 1 . . . . 89 LEU H . 7356 1 341 . 1 1 89 89 LEU CA C 13 53.887 0.400 . 1 . . . . 89 LEU CA . 7356 1 342 . 1 1 89 89 LEU CB C 13 44.392 0.400 . 1 . . . . 89 LEU CB . 7356 1 343 . 1 1 89 89 LEU N N 15 124.609 0.400 . 1 . . . . 89 LEU N . 7356 1 344 . 1 1 90 90 VAL H H 1 9.587 0.040 . 1 . . . . 90 VAL H . 7356 1 345 . 1 1 90 90 VAL CA C 13 62.755 0.400 . 1 . . . . 90 VAL CA . 7356 1 346 . 1 1 90 90 VAL CB C 13 33.451 0.400 . 1 . . . . 90 VAL CB . 7356 1 347 . 1 1 90 90 VAL N N 15 126.029 0.400 . 1 . . . . 90 VAL N . 7356 1 348 . 1 1 91 91 GLY H H 1 10.130 0.040 . 1 . . . . 91 GLY H . 7356 1 349 . 1 1 91 91 GLY CA C 13 44.302 0.400 . 1 . . . . 91 GLY CA . 7356 1 350 . 1 1 91 91 GLY N N 15 124.027 0.400 . 1 . . . . 91 GLY N . 7356 1 351 . 1 1 92 92 LYS H H 1 7.633 0.040 . 1 . . . . 92 LYS H . 7356 1 352 . 1 1 92 92 LYS CA C 13 55.146 0.400 . 1 . . . . 92 LYS CA . 7356 1 353 . 1 1 92 92 LYS CB C 13 33.215 0.400 . 1 . . . . 92 LYS CB . 7356 1 354 . 1 1 92 92 LYS N N 15 124.825 0.400 . 1 . . . . 92 LYS N . 7356 1 355 . 1 1 93 93 PHE H H 1 9.030 0.040 . 1 . . . . 93 PHE H . 7356 1 356 . 1 1 93 93 PHE CA C 13 55.611 0.400 . 1 . . . . 93 PHE CA . 7356 1 357 . 1 1 93 93 PHE CB C 13 43.425 0.400 . 1 . . . . 93 PHE CB . 7356 1 358 . 1 1 93 93 PHE N N 15 123.340 0.400 . 1 . . . . 93 PHE N . 7356 1 359 . 1 1 94 94 LYS H H 1 9.351 0.040 . 1 . . . . 94 LYS H . 7356 1 360 . 1 1 94 94 LYS CA C 13 54.744 0.400 . 1 . . . . 94 LYS CA . 7356 1 361 . 1 1 94 94 LYS CB C 13 35.485 0.400 . 1 . . . . 94 LYS CB . 7356 1 362 . 1 1 94 94 LYS N N 15 121.381 0.400 . 1 . . . . 94 LYS N . 7356 1 363 . 1 1 95 95 ARG H H 1 8.741 0.040 . 1 . . . . 95 ARG H . 7356 1 364 . 1 1 95 95 ARG CA C 13 56.725 0.400 . 1 . . . . 95 ARG CA . 7356 1 365 . 1 1 95 95 ARG CB C 13 30.811 0.400 . 1 . . . . 95 ARG CB . 7356 1 366 . 1 1 95 95 ARG N N 15 123.903 0.400 . 1 . . . . 95 ARG N . 7356 1 367 . 1 1 96 96 VAL H H 1 8.409 0.040 . 1 . . . . 96 VAL H . 7356 1 368 . 1 1 96 96 VAL CA C 13 65.397 0.400 . 1 . . . . 96 VAL CA . 7356 1 369 . 1 1 96 96 VAL CB C 13 32.390 0.400 . 1 . . . . 96 VAL CB . 7356 1 370 . 1 1 96 96 VAL N N 15 126.232 0.400 . 1 . . . . 96 VAL N . 7356 1 371 . 1 1 97 97 ASP H H 1 9.155 0.040 . 1 . . . . 97 ASP H . 7356 1 372 . 1 1 97 97 ASP CA C 13 56.509 0.400 . 1 . . . . 97 ASP CA . 7356 1 373 . 1 1 97 97 ASP CB C 13 38.695 0.400 . 1 . . . . 97 ASP CB . 7356 1 374 . 1 1 97 97 ASP N N 15 118.848 0.400 . 1 . . . . 97 ASP N . 7356 1 375 . 1 1 98 98 ASN H H 1 8.648 0.040 . 1 . . . . 98 ASN H . 7356 1 376 . 1 1 98 98 ASN CA C 13 51.497 0.400 . 1 . . . . 98 ASN CA . 7356 1 377 . 1 1 98 98 ASN CB C 13 39.278 0.400 . 1 . . . . 98 ASN CB . 7356 1 378 . 1 1 98 98 ASN N N 15 117.069 0.400 . 1 . . . . 98 ASN N . 7356 1 379 . 1 1 99 99 GLY H H 1 7.966 0.040 . 1 . . . . 99 GLY H . 7356 1 380 . 1 1 99 99 GLY CA C 13 46.507 0.400 . 1 . . . . 99 GLY CA . 7356 1 381 . 1 1 99 99 GLY N N 15 109.365 0.400 . 1 . . . . 99 GLY N . 7356 1 382 . 1 1 100 100 LYS H H 1 8.171 0.040 . 1 . . . . 100 LYS H . 7356 1 383 . 1 1 100 100 LYS CA C 13 56.992 0.400 . 1 . . . . 100 LYS CA . 7356 1 384 . 1 1 100 100 LYS CB C 13 34.094 0.400 . 1 . . . . 100 LYS CB . 7356 1 385 . 1 1 100 100 LYS N N 15 120.234 0.400 . 1 . . . . 100 LYS N . 7356 1 386 . 1 1 101 101 GLU H H 1 8.410 0.040 . 1 . . . . 101 GLU H . 7356 1 387 . 1 1 101 101 GLU CA C 13 56.170 0.400 . 1 . . . . 101 GLU CA . 7356 1 388 . 1 1 101 101 GLU CB C 13 32.736 0.400 . 1 . . . . 101 GLU CB . 7356 1 389 . 1 1 101 101 GLU N N 15 119.682 0.400 . 1 . . . . 101 GLU N . 7356 1 390 . 1 1 102 102 LEU H H 1 9.080 0.040 . 1 . . . . 102 LEU H . 7356 1 391 . 1 1 102 102 LEU CA C 13 54.141 0.400 . 1 . . . . 102 LEU CA . 7356 1 392 . 1 1 102 102 LEU CB C 13 46.429 0.400 . 1 . . . . 102 LEU CB . 7356 1 393 . 1 1 102 102 LEU N N 15 127.643 0.400 . 1 . . . . 102 LEU N . 7356 1 394 . 1 1 103 103 ILE H H 1 8.674 0.040 . 1 . . . . 103 ILE H . 7356 1 395 . 1 1 103 103 ILE CA C 13 59.026 0.400 . 1 . . . . 103 ILE CA . 7356 1 396 . 1 1 103 103 ILE CB C 13 39.489 0.400 . 1 . . . . 103 ILE CB . 7356 1 397 . 1 1 103 103 ILE N N 15 125.961 0.400 . 1 . . . . 103 ILE N . 7356 1 398 . 1 1 104 104 ALA H H 1 9.508 0.040 . 1 . . . . 104 ALA H . 7356 1 399 . 1 1 104 104 ALA CA C 13 49.878 0.400 . 1 . . . . 104 ALA CA . 7356 1 400 . 1 1 104 104 ALA CB C 13 23.807 0.400 . 1 . . . . 104 ALA CB . 7356 1 401 . 1 1 104 104 ALA N N 15 122.453 0.400 . 1 . . . . 104 ALA N . 7356 1 402 . 1 1 105 105 VAL H H 1 9.234 0.040 . 1 . . . . 105 VAL H . 7356 1 403 . 1 1 105 105 VAL CA C 13 61.073 0.400 . 1 . . . . 105 VAL CA . 7356 1 404 . 1 1 105 105 VAL N N 15 122.427 0.400 . 1 . . . . 105 VAL N . 7356 1 405 . 1 1 106 106 ARG H H 1 9.701 0.040 . 1 . . . . 106 ARG H . 7356 1 406 . 1 1 106 106 ARG CA C 13 54.906 0.400 . 1 . . . . 106 ARG CA . 7356 1 407 . 1 1 106 106 ARG CB C 13 33.041 0.400 . 1 . . . . 106 ARG CB . 7356 1 408 . 1 1 106 106 ARG N N 15 125.657 0.400 . 1 . . . . 106 ARG N . 7356 1 409 . 1 1 107 107 GLU H H 1 8.605 0.040 . 1 . . . . 107 GLU H . 7356 1 410 . 1 1 107 107 GLU CA C 13 54.389 0.400 . 1 . . . . 107 GLU CA . 7356 1 411 . 1 1 107 107 GLU CB C 13 34.550 0.400 . 1 . . . . 107 GLU CB . 7356 1 412 . 1 1 107 107 GLU N N 15 121.040 0.400 . 1 . . . . 107 GLU N . 7356 1 413 . 1 1 108 108 ILE H H 1 8.778 0.040 . 1 . . . . 108 ILE H . 7356 1 414 . 1 1 108 108 ILE CA C 13 58.701 0.400 . 1 . . . . 108 ILE CA . 7356 1 415 . 1 1 108 108 ILE CB C 13 37.131 0.400 . 1 . . . . 108 ILE CB . 7356 1 416 . 1 1 108 108 ILE N N 15 124.117 0.400 . 1 . . . . 108 ILE N . 7356 1 417 . 1 1 109 109 SER H H 1 8.982 0.040 . 1 . . . . 109 SER H . 7356 1 418 . 1 1 109 109 SER CA C 13 56.393 0.400 . 1 . . . . 109 SER CA . 7356 1 419 . 1 1 109 109 SER CB C 13 63.663 0.400 . 1 . . . . 109 SER CB . 7356 1 420 . 1 1 109 109 SER N N 15 123.270 0.400 . 1 . . . . 109 SER N . 7356 1 421 . 1 1 110 110 GLY H H 1 9.249 0.040 . 1 . . . . 110 GLY H . 7356 1 422 . 1 1 110 110 GLY CA C 13 47.785 0.400 . 1 . . . . 110 GLY CA . 7356 1 423 . 1 1 110 110 GLY N N 15 119.613 0.400 . 1 . . . . 110 GLY N . 7356 1 424 . 1 1 111 111 ASN H H 1 8.899 0.040 . 1 . . . . 111 ASN H . 7356 1 425 . 1 1 111 111 ASN CA C 13 53.028 0.400 . 1 . . . . 111 ASN CA . 7356 1 426 . 1 1 111 111 ASN CB C 13 38.796 0.400 . 1 . . . . 111 ASN CB . 7356 1 427 . 1 1 111 111 ASN N N 15 123.947 0.400 . 1 . . . . 111 ASN N . 7356 1 428 . 1 1 112 112 GLU H H 1 8.094 0.040 . 1 . . . . 112 GLU H . 7356 1 429 . 1 1 112 112 GLU CA C 13 55.214 0.400 . 1 . . . . 112 GLU CA . 7356 1 430 . 1 1 112 112 GLU CB C 13 33.537 0.400 . 1 . . . . 112 GLU CB . 7356 1 431 . 1 1 112 112 GLU N N 15 118.280 0.400 . 1 . . . . 112 GLU N . 7356 1 432 . 1 1 113 113 LEU H H 1 8.320 0.040 . 1 . . . . 113 LEU H . 7356 1 433 . 1 1 113 113 LEU CA C 13 54.036 0.400 . 1 . . . . 113 LEU CA . 7356 1 434 . 1 1 113 113 LEU CB C 13 43.451 0.400 . 1 . . . . 113 LEU CB . 7356 1 435 . 1 1 113 113 LEU N N 15 123.611 0.400 . 1 . . . . 113 LEU N . 7356 1 436 . 1 1 114 114 ILE H H 1 9.374 0.040 . 1 . . . . 114 ILE H . 7356 1 437 . 1 1 114 114 ILE CA C 13 61.305 0.400 . 1 . . . . 114 ILE CA . 7356 1 438 . 1 1 114 114 ILE CB C 13 38.974 0.400 . 1 . . . . 114 ILE CB . 7356 1 439 . 1 1 114 114 ILE N N 15 127.642 0.400 . 1 . . . . 114 ILE N . 7356 1 440 . 1 1 115 115 GLN H H 1 9.056 0.040 . 1 . . . . 115 GLN H . 7356 1 441 . 1 1 115 115 GLN CA C 13 53.463 0.400 . 1 . . . . 115 GLN CA . 7356 1 442 . 1 1 115 115 GLN CB C 13 42.196 0.400 . 1 . . . . 115 GLN CB . 7356 1 443 . 1 1 115 115 GLN N N 15 131.005 0.400 . 1 . . . . 115 GLN N . 7356 1 444 . 1 1 116 116 THR H H 1 9.297 0.040 . 1 . . . . 116 THR H . 7356 1 445 . 1 1 116 116 THR CA C 13 61.849 0.400 . 1 . . . . 116 THR CA . 7356 1 446 . 1 1 116 116 THR CB C 13 70.053 0.400 . 1 . . . . 116 THR CB . 7356 1 447 . 1 1 116 116 THR N N 15 125.794 0.400 . 1 . . . . 116 THR N . 7356 1 448 . 1 1 117 117 TYR H H 1 9.484 0.040 . 1 . . . . 117 TYR H . 7356 1 449 . 1 1 117 117 TYR CA C 13 53.773 0.400 . 1 . . . . 117 TYR CA . 7356 1 450 . 1 1 117 117 TYR CB C 13 43.877 0.400 . 1 . . . . 117 TYR CB . 7356 1 451 . 1 1 117 117 TYR N N 15 127.920 0.400 . 1 . . . . 117 TYR N . 7356 1 452 . 1 1 118 118 THR H H 1 9.249 0.040 . 1 . . . . 118 THR H . 7356 1 453 . 1 1 118 118 THR CA C 13 62.290 0.400 . 1 . . . . 118 THR CA . 7356 1 454 . 1 1 118 118 THR CB C 13 71.492 0.400 . 1 . . . . 118 THR CB . 7356 1 455 . 1 1 118 118 THR N N 15 113.507 0.400 . 1 . . . . 118 THR N . 7356 1 456 . 1 1 119 119 TYR H H 1 9.094 0.040 . 1 . . . . 119 TYR H . 7356 1 457 . 1 1 119 119 TYR CA C 13 58.645 0.400 . 1 . . . . 119 TYR CA . 7356 1 458 . 1 1 119 119 TYR CB C 13 43.136 0.400 . 1 . . . . 119 TYR CB . 7356 1 459 . 1 1 119 119 TYR N N 15 126.421 0.400 . 1 . . . . 119 TYR N . 7356 1 460 . 1 1 120 120 GLU H H 1 9.597 0.040 . 1 . . . . 120 GLU H . 7356 1 461 . 1 1 120 120 GLU CA C 13 56.369 0.400 . 1 . . . . 120 GLU CA . 7356 1 462 . 1 1 120 120 GLU CB C 13 28.888 0.400 . 1 . . . . 120 GLU CB . 7356 1 463 . 1 1 120 120 GLU N N 15 125.937 0.400 . 1 . . . . 120 GLU N . 7356 1 464 . 1 1 121 121 GLY H H 1 8.627 0.040 . 1 . . . . 121 GLY H . 7356 1 465 . 1 1 121 121 GLY CA C 13 45.386 0.400 . 1 . . . . 121 GLY CA . 7356 1 466 . 1 1 121 121 GLY N N 15 102.742 0.400 . 1 . . . . 121 GLY N . 7356 1 467 . 1 1 122 122 VAL H H 1 8.411 0.040 . 1 . . . . 122 VAL H . 7356 1 468 . 1 1 122 122 VAL CA C 13 62.287 0.400 . 1 . . . . 122 VAL CA . 7356 1 469 . 1 1 122 122 VAL CB C 13 33.044 0.400 . 1 . . . . 122 VAL CB . 7356 1 470 . 1 1 122 122 VAL N N 15 123.750 0.400 . 1 . . . . 122 VAL N . 7356 1 471 . 1 1 123 123 GLU H H 1 8.619 0.040 . 1 . . . . 123 GLU H . 7356 1 472 . 1 1 123 123 GLU CA C 13 53.976 0.400 . 1 . . . . 123 GLU CA . 7356 1 473 . 1 1 123 123 GLU CB C 13 33.970 0.400 . 1 . . . . 123 GLU CB . 7356 1 474 . 1 1 123 123 GLU N N 15 126.728 0.400 . 1 . . . . 123 GLU N . 7356 1 475 . 1 1 124 124 ALA H H 1 8.881 0.040 . 1 . . . . 124 ALA H . 7356 1 476 . 1 1 124 124 ALA CA C 13 51.025 0.400 . 1 . . . . 124 ALA CA . 7356 1 477 . 1 1 124 124 ALA CB C 13 23.982 0.400 . 1 . . . . 124 ALA CB . 7356 1 478 . 1 1 124 124 ALA N N 15 125.410 0.400 . 1 . . . . 124 ALA N . 7356 1 479 . 1 1 125 125 LYS H H 1 8.952 0.040 . 1 . . . . 125 LYS H . 7356 1 480 . 1 1 125 125 LYS CA C 13 54.468 0.400 . 1 . . . . 125 LYS CA . 7356 1 481 . 1 1 125 125 LYS CB C 13 38.223 0.400 . 1 . . . . 125 LYS CB . 7356 1 482 . 1 1 125 125 LYS N N 15 115.495 0.400 . 1 . . . . 125 LYS N . 7356 1 483 . 1 1 126 126 ARG H H 1 9.005 0.040 . 1 . . . . 126 ARG H . 7356 1 484 . 1 1 126 126 ARG CA C 13 56.505 0.400 . 1 . . . . 126 ARG CA . 7356 1 485 . 1 1 126 126 ARG CB C 13 33.275 0.400 . 1 . . . . 126 ARG CB . 7356 1 486 . 1 1 126 126 ARG N N 15 118.591 0.400 . 1 . . . . 126 ARG N . 7356 1 487 . 1 1 127 127 ILE H H 1 8.871 0.040 . 1 . . . . 127 ILE H . 7356 1 488 . 1 1 127 127 ILE CA C 13 61.247 0.400 . 1 . . . . 127 ILE CA . 7356 1 489 . 1 1 127 127 ILE CB C 13 39.914 0.400 . 1 . . . . 127 ILE CB . 7356 1 490 . 1 1 127 127 ILE N N 15 123.772 0.400 . 1 . . . . 127 ILE N . 7356 1 491 . 1 1 128 128 PHE H H 1 9.947 0.040 . 1 . . . . 128 PHE H . 7356 1 492 . 1 1 128 128 PHE CA C 13 55.981 0.400 . 1 . . . . 128 PHE CA . 7356 1 493 . 1 1 128 128 PHE CB C 13 42.842 0.400 . 1 . . . . 128 PHE CB . 7356 1 494 . 1 1 128 128 PHE N N 15 126.932 0.400 . 1 . . . . 128 PHE N . 7356 1 495 . 1 1 129 129 LYS H H 1 8.979 0.040 . 1 . . . . 129 LYS H . 7356 1 496 . 1 1 129 129 LYS CA C 13 54.968 0.400 . 1 . . . . 129 LYS CA . 7356 1 497 . 1 1 129 129 LYS CB C 13 35.991 0.400 . 1 . . . . 129 LYS CB . 7356 1 498 . 1 1 129 129 LYS N N 15 119.490 0.400 . 1 . . . . 129 LYS N . 7356 1 499 . 1 1 130 130 LYS H H 1 8.610 0.040 . 1 . . . . 130 LYS H . 7356 1 500 . 1 1 130 130 LYS CA C 13 56.782 0.400 . 1 . . . . 130 LYS CA . 7356 1 501 . 1 1 130 130 LYS CB C 13 33.280 0.400 . 1 . . . . 130 LYS CB . 7356 1 502 . 1 1 130 130 LYS N N 15 125.840 0.400 . 1 . . . . 130 LYS N . 7356 1 503 . 1 1 131 131 GLU H H 1 8.411 0.040 . 1 . . . . 131 GLU H . 7356 1 504 . 1 1 131 131 GLU CA C 13 58.428 0.400 . 1 . . . . 131 GLU CA . 7356 1 stop_ save_