data_7357 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7357 _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 . . . 7357 2 Martin Scanlon . J. . 7357 3 Christopher Porter . J.H. . 7357 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7357 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 239 7357 '15N chemical shifts' 128 7357 '1H chemical shifts' 129 7357 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 . . 2008-07-17 2006-12-17 update BMRB 'complete entry citation' 7357 1 . . 2007-03-09 2006-12-17 original author 'original release' 7357 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15082 apo 7357 BMRB 7355 'Clofibric_acid bound' 7357 BMRB 7356 'fenofibricAcid bound' 7357 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7357 _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 365 _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 . . . 7357 1 2 James Horne . . . 7357 1 3 Aisha Languerre . . . 7357 1 4 Eric Jones . . . 7357 1 5 Martin Scanlon . J. . 7357 1 6 Christopher Porter . J.H. . 7357 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Intestinal fatty acid binding protein' 7357 1 'intestinal lipophilic drug transport' 7357 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7357 _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 . . . 7357 1 2 Tolfenamic_acid 2 $Tolfenamic_acid . . no native no no . . . 7357 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' . 7357 1 yes PDB 2IFB . . X-ray 2.0 'Structure used for palmitic acid chemical shift mapping' . 7357 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 7357 _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 . . . . 7357 1 2 no BMRB 7355 . Rat_intestinal_fatty_acid_binding_protein . . . . . 100.00 131 100.00 100.00 2.90e-87 . . . . 7357 1 3 no BMRB 7356 . Rat_intestinal_fatty_acid_binding_protein . . . . . 100.00 131 100.00 100.00 2.90e-87 . . . . 7357 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 . . . . 7357 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 . . . . 7357 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 . . . . 7357 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 . . . . 7357 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 . . . . 7357 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 . . . . 7357 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 . . . . 7357 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 . . . . 7357 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 . . . . 7357 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 . . . . 7357 1 14 no GB AAA41133 . "fatty acid binding protein, partial [Rattus norvegicus]" . . . . . 60.31 80 100.00 100.00 3.35e-48 . . . . 7357 1 15 no GB AAA41138 . "intestinal FABP [Rattus norvegicus]" . . . . . 100.00 132 98.47 98.47 1.37e-84 . . . . 7357 1 16 no GB AAA41141 . "fatty acid binding protein (FABP) [Rattus norvegicus]" . . . . . 100.00 132 100.00 100.00 2.69e-87 . . . . 7357 1 17 no GB EDL82110 . "fatty acid binding protein 2, intestinal [Rattus norvegicus]" . . . . . 100.00 132 100.00 100.00 2.69e-87 . . . . 7357 1 18 no PRF 1202232A . "protein,fatty acid binding" . . . . . 100.00 132 100.00 100.00 2.69e-87 . . . . 7357 1 19 no PRF 1202232A:PDB=1IFC . "protein,fatty acid binding" . . . . . 100.00 132 100.00 100.00 2.69e-87 . . . . 7357 1 20 no REF NP_037200 . "fatty acid-binding protein, intestinal [Rattus norvegicus]" . . . . . 100.00 132 100.00 100.00 2.69e-87 . . . . 7357 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 . . . . 7357 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'cytosolic fatty acid binding protein' 7357 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 . 7357 1 2 . PHE . 7357 1 3 . ASP . 7357 1 4 . GLY . 7357 1 5 . THR . 7357 1 6 . TRP . 7357 1 7 . LYS . 7357 1 8 . VAL . 7357 1 9 . ASP . 7357 1 10 . ARG . 7357 1 11 . ASN . 7357 1 12 . GLU . 7357 1 13 . ASN . 7357 1 14 . TYR . 7357 1 15 . GLU . 7357 1 16 . LYS . 7357 1 17 . PHE . 7357 1 18 . MET . 7357 1 19 . GLU . 7357 1 20 . LYS . 7357 1 21 . MET . 7357 1 22 . GLY . 7357 1 23 . ILE . 7357 1 24 . ASN . 7357 1 25 . VAL . 7357 1 26 . VAL . 7357 1 27 . LYS . 7357 1 28 . ARG . 7357 1 29 . LYS . 7357 1 30 . LEU . 7357 1 31 . GLY . 7357 1 32 . ALA . 7357 1 33 . HIS . 7357 1 34 . ASP . 7357 1 35 . ASN . 7357 1 36 . LEU . 7357 1 37 . LYS . 7357 1 38 . LEU . 7357 1 39 . THR . 7357 1 40 . ILE . 7357 1 41 . THR . 7357 1 42 . GLN . 7357 1 43 . GLU . 7357 1 44 . GLY . 7357 1 45 . ASN . 7357 1 46 . LYS . 7357 1 47 . PHE . 7357 1 48 . THR . 7357 1 49 . VAL . 7357 1 50 . LYS . 7357 1 51 . GLU . 7357 1 52 . SER . 7357 1 53 . SER . 7357 1 54 . ASN . 7357 1 55 . PHE . 7357 1 56 . ARG . 7357 1 57 . ASN . 7357 1 58 . ILE . 7357 1 59 . ASP . 7357 1 60 . VAL . 7357 1 61 . VAL . 7357 1 62 . PHE . 7357 1 63 . GLU . 7357 1 64 . LEU . 7357 1 65 . GLY . 7357 1 66 . VAL . 7357 1 67 . ASP . 7357 1 68 . PHE . 7357 1 69 . ALA . 7357 1 70 . TYR . 7357 1 71 . SER . 7357 1 72 . LEU . 7357 1 73 . ALA . 7357 1 74 . ASP . 7357 1 75 . GLY . 7357 1 76 . THR . 7357 1 77 . GLU . 7357 1 78 . LEU . 7357 1 79 . THR . 7357 1 80 . GLY . 7357 1 81 . THR . 7357 1 82 . TRP . 7357 1 83 . THR . 7357 1 84 . MET . 7357 1 85 . GLU . 7357 1 86 . GLY . 7357 1 87 . ASN . 7357 1 88 . LYS . 7357 1 89 . LEU . 7357 1 90 . VAL . 7357 1 91 . GLY . 7357 1 92 . LYS . 7357 1 93 . PHE . 7357 1 94 . LYS . 7357 1 95 . ARG . 7357 1 96 . VAL . 7357 1 97 . ASP . 7357 1 98 . ASN . 7357 1 99 . GLY . 7357 1 100 . LYS . 7357 1 101 . GLU . 7357 1 102 . LEU . 7357 1 103 . ILE . 7357 1 104 . ALA . 7357 1 105 . VAL . 7357 1 106 . ARG . 7357 1 107 . GLU . 7357 1 108 . ILE . 7357 1 109 . SER . 7357 1 110 . GLY . 7357 1 111 . ASN . 7357 1 112 . GLU . 7357 1 113 . LEU . 7357 1 114 . ILE . 7357 1 115 . GLN . 7357 1 116 . THR . 7357 1 117 . TYR . 7357 1 118 . THR . 7357 1 119 . TYR . 7357 1 120 . GLU . 7357 1 121 . GLY . 7357 1 122 . VAL . 7357 1 123 . GLU . 7357 1 124 . ALA . 7357 1 125 . LYS . 7357 1 126 . ARG . 7357 1 127 . ILE . 7357 1 128 . PHE . 7357 1 129 . LYS . 7357 1 130 . LYS . 7357 1 131 . GLU . 7357 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 7357 1 . PHE 2 2 7357 1 . ASP 3 3 7357 1 . GLY 4 4 7357 1 . THR 5 5 7357 1 . TRP 6 6 7357 1 . LYS 7 7 7357 1 . VAL 8 8 7357 1 . ASP 9 9 7357 1 . ARG 10 10 7357 1 . ASN 11 11 7357 1 . GLU 12 12 7357 1 . ASN 13 13 7357 1 . TYR 14 14 7357 1 . GLU 15 15 7357 1 . LYS 16 16 7357 1 . PHE 17 17 7357 1 . MET 18 18 7357 1 . GLU 19 19 7357 1 . LYS 20 20 7357 1 . MET 21 21 7357 1 . GLY 22 22 7357 1 . ILE 23 23 7357 1 . ASN 24 24 7357 1 . VAL 25 25 7357 1 . VAL 26 26 7357 1 . LYS 27 27 7357 1 . ARG 28 28 7357 1 . LYS 29 29 7357 1 . LEU 30 30 7357 1 . GLY 31 31 7357 1 . ALA 32 32 7357 1 . HIS 33 33 7357 1 . ASP 34 34 7357 1 . ASN 35 35 7357 1 . LEU 36 36 7357 1 . LYS 37 37 7357 1 . LEU 38 38 7357 1 . THR 39 39 7357 1 . ILE 40 40 7357 1 . THR 41 41 7357 1 . GLN 42 42 7357 1 . GLU 43 43 7357 1 . GLY 44 44 7357 1 . ASN 45 45 7357 1 . LYS 46 46 7357 1 . PHE 47 47 7357 1 . THR 48 48 7357 1 . VAL 49 49 7357 1 . LYS 50 50 7357 1 . GLU 51 51 7357 1 . SER 52 52 7357 1 . SER 53 53 7357 1 . ASN 54 54 7357 1 . PHE 55 55 7357 1 . ARG 56 56 7357 1 . ASN 57 57 7357 1 . ILE 58 58 7357 1 . ASP 59 59 7357 1 . VAL 60 60 7357 1 . VAL 61 61 7357 1 . PHE 62 62 7357 1 . GLU 63 63 7357 1 . LEU 64 64 7357 1 . GLY 65 65 7357 1 . VAL 66 66 7357 1 . ASP 67 67 7357 1 . PHE 68 68 7357 1 . ALA 69 69 7357 1 . TYR 70 70 7357 1 . SER 71 71 7357 1 . LEU 72 72 7357 1 . ALA 73 73 7357 1 . ASP 74 74 7357 1 . GLY 75 75 7357 1 . THR 76 76 7357 1 . GLU 77 77 7357 1 . LEU 78 78 7357 1 . THR 79 79 7357 1 . GLY 80 80 7357 1 . THR 81 81 7357 1 . TRP 82 82 7357 1 . THR 83 83 7357 1 . MET 84 84 7357 1 . GLU 85 85 7357 1 . GLY 86 86 7357 1 . ASN 87 87 7357 1 . LYS 88 88 7357 1 . LEU 89 89 7357 1 . VAL 90 90 7357 1 . GLY 91 91 7357 1 . LYS 92 92 7357 1 . PHE 93 93 7357 1 . LYS 94 94 7357 1 . ARG 95 95 7357 1 . VAL 96 96 7357 1 . ASP 97 97 7357 1 . ASN 98 98 7357 1 . GLY 99 99 7357 1 . LYS 100 100 7357 1 . GLU 101 101 7357 1 . LEU 102 102 7357 1 . ILE 103 103 7357 1 . ALA 104 104 7357 1 . VAL 105 105 7357 1 . ARG 106 106 7357 1 . GLU 107 107 7357 1 . ILE 108 108 7357 1 . SER 109 109 7357 1 . GLY 110 110 7357 1 . ASN 111 111 7357 1 . GLU 112 112 7357 1 . LEU 113 113 7357 1 . ILE 114 114 7357 1 . GLN 115 115 7357 1 . THR 116 116 7357 1 . TYR 117 117 7357 1 . THR 118 118 7357 1 . TYR 119 119 7357 1 . GLU 120 120 7357 1 . GLY 121 121 7357 1 . VAL 122 122 7357 1 . GLU 123 123 7357 1 . ALA 124 124 7357 1 . LYS 125 125 7357 1 . ARG 126 126 7357 1 . ILE 127 127 7357 1 . PHE 128 128 7357 1 . LYS 129 129 7357 1 . LYS 130 130 7357 1 . GLU 131 131 7357 1 stop_ save_ save_Tolfenamic_acid _Entity.Sf_category entity _Entity.Sf_framecode Tolfenamic_acid _Entity.Entry_ID 7357 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Tolfenamic_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 TOLF _Entity.Nonpolymer_comp_label $chem_comp_TOLF _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 . TOLF . 7357 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 7357 _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 . . . . . . . . . . . . . . . . . . . . . 7357 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 7357 _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 . . . . . . 7357 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_TOLF _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_TOLF _Chem_comp.Entry_ID 7357 _Chem_comp.ID TOLF _Chem_comp.Provenance . _Chem_comp.Name Tolfenamic_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_Tolfenamic_acid-Rat_FABP2 _Sample.Sf_category sample _Sample.Sf_framecode Tolfenamic_acid-Rat_FABP2 _Sample.Entry_ID 7357 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 4 _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 . . . . 7357 1 2 'Tolfenamic acid' 'natural abundance' . . . . . . 5 . . mM . . . . 7357 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 7357 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 7357 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 7357 _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 7357 1 pH 5.5 . pH 7357 1 temperature 295.15 . K 7357 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 7357 _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 . . 7357 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 7357 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 7357 _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 7357 _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 . . . 7357 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 7357 _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 $Tolfenamic_acid-Rat_FABP2 isotropic . . 1 $sample_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7357 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 7357 _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 7357 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 7357 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7357 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 7357 _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 $Tolfenamic_acid-Rat_FABP2 . 7357 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 . . 7357 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 H H 1 9.339 0.040 . 1 . . . . 1 ALA H . 7357 1 2 . 1 1 1 1 ALA CA C 13 52.271 0.400 . 1 . . . . 1 ALA CA . 7357 1 3 . 1 1 1 1 ALA CB C 13 19.242 0.400 . 1 . . . . 1 ALA CB . 7357 1 4 . 1 1 1 1 ALA N N 15 116.750 0.400 . 1 . . . . 1 ALA N . 7357 1 5 . 1 1 2 2 PHE H H 1 8.787 0.040 . 1 . . . . 2 PHE H . 7357 1 6 . 1 1 2 2 PHE CA C 13 59.676 0.400 . 1 . . . . 2 PHE CA . 7357 1 7 . 1 1 2 2 PHE CB C 13 40.000 0.400 . 1 . . . . 2 PHE CB . 7357 1 8 . 1 1 2 2 PHE N N 15 116.548 0.400 . 1 . . . . 2 PHE N . 7357 1 9 . 1 1 4 4 GLY H H 1 8.637 0.040 . 1 . . . . 4 GLY H . 7357 1 10 . 1 1 4 4 GLY CA C 13 52.721 0.400 . 1 . . . . 4 GLY CA . 7357 1 11 . 1 1 4 4 GLY N N 15 123.567 0.400 . 1 . . . . 4 GLY N . 7357 1 12 . 1 1 5 5 THR H H 1 8.796 0.040 . 1 . . . . 5 THR H . 7357 1 13 . 1 1 5 5 THR CA C 13 62.505 0.400 . 1 . . . . 5 THR CA . 7357 1 14 . 1 1 5 5 THR CB C 13 70.193 0.400 . 1 . . . . 5 THR CB . 7357 1 15 . 1 1 5 5 THR N N 15 114.114 0.400 . 1 . . . . 5 THR N . 7357 1 16 . 1 1 6 6 TRP H H 1 9.532 0.040 . 1 . . . . 6 TRP H . 7357 1 17 . 1 1 6 6 TRP CA C 13 54.839 0.400 . 1 . . . . 6 TRP CA . 7357 1 18 . 1 1 6 6 TRP CB C 13 31.480 0.400 . 1 . . . . 6 TRP CB . 7357 1 19 . 1 1 6 6 TRP N N 15 115.585 0.400 . 1 . . . . 6 TRP N . 7357 1 20 . 1 1 7 7 LYS H H 1 9.273 0.040 . 1 . . . . 7 LYS H . 7357 1 21 . 1 1 7 7 LYS CA C 13 54.839 0.400 . 1 . . . . 7 LYS CA . 7357 1 22 . 1 1 7 7 LYS CB C 13 35.534 0.400 . 1 . . . . 7 LYS CB . 7357 1 23 . 1 1 7 7 LYS N N 15 118.921 0.400 . 1 . . . . 7 LYS N . 7357 1 24 . 1 1 8 8 VAL H H 1 9.131 0.040 . 1 . . . . 8 VAL H . 7357 1 25 . 1 1 8 8 VAL CA C 13 65.085 0.400 . 1 . . . . 8 VAL CA . 7357 1 26 . 1 1 8 8 VAL CB C 13 31.626 0.400 . 1 . . . . 8 VAL CB . 7357 1 27 . 1 1 8 8 VAL N N 15 110.352 0.400 . 1 . . . . 8 VAL N . 7357 1 28 . 1 1 9 9 ASP H H 1 8.736 0.040 . 1 . . . . 9 ASP H . 7357 1 29 . 1 1 9 9 ASP CA C 13 55.430 0.400 . 1 . . . . 9 ASP CA . 7357 1 30 . 1 1 9 9 ASP CB C 13 46.796 0.400 . 1 . . . . 9 ASP CB . 7357 1 31 . 1 1 9 9 ASP N N 15 117.080 0.400 . 1 . . . . 9 ASP N . 7357 1 32 . 1 1 10 10 ARG H H 1 8.121 0.040 . 1 . . . . 10 ARG H . 7357 1 33 . 1 1 10 10 ARG CA C 13 54.881 0.400 . 1 . . . . 10 ARG CA . 7357 1 34 . 1 1 10 10 ARG CB C 13 31.992 0.400 . 1 . . . . 10 ARG CB . 7357 1 35 . 1 1 10 10 ARG N N 15 114.337 0.400 . 1 . . . . 10 ARG N . 7357 1 36 . 1 1 11 11 ASN H H 1 8.989 0.040 . 1 . . . . 11 ASN H . 7357 1 37 . 1 1 11 11 ASN CA C 13 51.219 0.400 . 1 . . . . 11 ASN CA . 7357 1 38 . 1 1 11 11 ASN CB C 13 43.242 0.400 . 1 . . . . 11 ASN CB . 7357 1 39 . 1 1 11 11 ASN N N 15 118.167 0.400 . 1 . . . . 11 ASN N . 7357 1 40 . 1 1 12 12 GLU H H 1 9.447 0.040 . 1 . . . . 12 GLU H . 7357 1 41 . 1 1 12 12 GLU CA C 13 55.733 0.400 . 1 . . . . 12 GLU CA . 7357 1 42 . 1 1 12 12 GLU CB C 13 32.373 0.400 . 1 . . . . 12 GLU CB . 7357 1 43 . 1 1 12 12 GLU N N 15 121.287 0.400 . 1 . . . . 12 GLU N . 7357 1 44 . 1 1 13 13 ASN H H 1 8.907 0.040 . 1 . . . . 13 ASN H . 7357 1 45 . 1 1 13 13 ASN CA C 13 54.011 0.400 . 1 . . . . 13 ASN CA . 7357 1 46 . 1 1 13 13 ASN CB C 13 39.456 0.400 . 1 . . . . 13 ASN CB . 7357 1 47 . 1 1 13 13 ASN N N 15 121.181 0.400 . 1 . . . . 13 ASN N . 7357 1 48 . 1 1 14 14 TYR H H 1 8.538 0.040 . 1 . . . . 14 TYR H . 7357 1 49 . 1 1 14 14 TYR CA C 13 60.372 0.400 . 1 . . . . 14 TYR CA . 7357 1 50 . 1 1 14 14 TYR CB C 13 40.193 0.400 . 1 . . . . 14 TYR CB . 7357 1 51 . 1 1 14 14 TYR N N 15 119.221 0.400 . 1 . . . . 14 TYR N . 7357 1 52 . 1 1 15 15 GLU H H 1 8.651 0.040 . 1 . . . . 15 GLU H . 7357 1 53 . 1 1 15 15 GLU CA C 13 61.326 0.400 . 1 . . . . 15 GLU CA . 7357 1 54 . 1 1 15 15 GLU CB C 13 28.265 0.400 . 1 . . . . 15 GLU CB . 7357 1 55 . 1 1 15 15 GLU N N 15 119.361 0.400 . 1 . . . . 15 GLU N . 7357 1 56 . 1 1 16 16 LYS H H 1 7.927 0.040 . 1 . . . . 16 LYS H . 7357 1 57 . 1 1 16 16 LYS CA C 13 58.687 0.400 . 1 . . . . 16 LYS CA . 7357 1 58 . 1 1 16 16 LYS CB C 13 31.501 0.400 . 1 . . . . 16 LYS CB . 7357 1 59 . 1 1 16 16 LYS N N 15 120.034 0.400 . 1 . . . . 16 LYS N . 7357 1 60 . 1 1 17 17 PHE H H 1 7.900 0.040 . 1 . . . . 17 PHE H . 7357 1 61 . 1 1 17 17 PHE CA C 13 62.021 0.400 . 1 . . . . 17 PHE CA . 7357 1 62 . 1 1 17 17 PHE CB C 13 40.412 0.400 . 1 . . . . 17 PHE CB . 7357 1 63 . 1 1 17 17 PHE N N 15 119.799 0.400 . 1 . . . . 17 PHE N . 7357 1 64 . 1 1 19 19 GLU H H 1 8.113 0.040 . 1 . . . . 19 GLU H . 7357 1 65 . 1 1 19 19 GLU CA C 13 59.655 0.400 . 1 . . . . 19 GLU CA . 7357 1 66 . 1 1 19 19 GLU CB C 13 29.486 0.400 . 1 . . . . 19 GLU CB . 7357 1 67 . 1 1 19 19 GLU N N 15 120.833 0.400 . 1 . . . . 19 GLU N . 7357 1 68 . 1 1 20 20 LYS H H 1 7.855 0.040 . 1 . . . . 20 LYS H . 7357 1 69 . 1 1 20 20 LYS CA C 13 57.346 0.400 . 1 . . . . 20 LYS CA . 7357 1 70 . 1 1 20 20 LYS CB C 13 32.232 0.400 . 1 . . . . 20 LYS CB . 7357 1 71 . 1 1 20 20 LYS N N 15 119.816 0.400 . 1 . . . . 20 LYS N . 7357 1 72 . 1 1 21 21 MET H H 1 7.664 0.040 . 1 . . . . 21 MET H . 7357 1 73 . 1 1 21 21 MET CA C 13 55.726 0.400 . 1 . . . . 21 MET CA . 7357 1 74 . 1 1 21 21 MET CB C 13 32.477 0.400 . 1 . . . . 21 MET CB . 7357 1 75 . 1 1 21 21 MET N N 15 119.269 0.400 . 1 . . . . 21 MET N . 7357 1 76 . 1 1 22 22 GLY H H 1 7.668 0.040 . 1 . . . . 22 GLY H . 7357 1 77 . 1 1 22 22 GLY CA C 13 45.388 0.400 . 1 . . . . 22 GLY CA . 7357 1 78 . 1 1 22 22 GLY N N 15 124.831 0.400 . 1 . . . . 22 GLY N . 7357 1 79 . 1 1 23 23 ILE H H 1 8.114 0.040 . 1 . . . . 23 ILE H . 7357 1 80 . 1 1 23 23 ILE CA C 13 60.443 0.400 . 1 . . . . 23 ILE CA . 7357 1 81 . 1 1 23 23 ILE CB C 13 37.008 0.400 . 1 . . . . 23 ILE CB . 7357 1 82 . 1 1 23 23 ILE N N 15 115.177 0.400 . 1 . . . . 23 ILE N . 7357 1 83 . 1 1 24 24 ASN H H 1 8.770 0.040 . 1 . . . . 24 ASN H . 7357 1 84 . 1 1 24 24 ASN CA C 13 54.219 0.400 . 1 . . . . 24 ASN CA . 7357 1 85 . 1 1 24 24 ASN CB C 13 39.805 0.400 . 1 . . . . 24 ASN CB . 7357 1 86 . 1 1 24 24 ASN N N 15 119.127 0.400 . 1 . . . . 24 ASN N . 7357 1 87 . 1 1 25 25 VAL H H 1 8.178 0.040 . 1 . . . . 25 VAL H . 7357 1 88 . 1 1 25 25 VAL CA C 13 66.401 0.400 . 1 . . . . 25 VAL CA . 7357 1 89 . 1 1 25 25 VAL CB C 13 31.858 0.400 . 1 . . . . 25 VAL CB . 7357 1 90 . 1 1 25 25 VAL N N 15 121.224 0.400 . 1 . . . . 25 VAL N . 7357 1 91 . 1 1 26 26 VAL H H 1 7.761 0.040 . 1 . . . . 26 VAL H . 7357 1 92 . 1 1 26 26 VAL CA C 13 66.272 0.400 . 1 . . . . 26 VAL CA . 7357 1 93 . 1 1 26 26 VAL CB C 13 31.398 0.400 . 1 . . . . 26 VAL CB . 7357 1 94 . 1 1 26 26 VAL N N 15 119.934 0.400 . 1 . . . . 26 VAL N . 7357 1 95 . 1 1 27 27 LYS H H 1 8.050 0.040 . 1 . . . . 27 LYS H . 7357 1 96 . 1 1 27 27 LYS CA C 13 58.453 0.400 . 1 . . . . 27 LYS CA . 7357 1 97 . 1 1 27 27 LYS CB C 13 32.774 0.400 . 1 . . . . 27 LYS CB . 7357 1 98 . 1 1 27 27 LYS N N 15 119.055 0.400 . 1 . . . . 27 LYS N . 7357 1 99 . 1 1 28 28 ARG H H 1 8.168 0.040 . 1 . . . . 28 ARG H . 7357 1 100 . 1 1 28 28 ARG CA C 13 59.300 0.400 . 1 . . . . 28 ARG CA . 7357 1 101 . 1 1 28 28 ARG CB C 13 30.615 0.400 . 1 . . . . 28 ARG CB . 7357 1 102 . 1 1 28 28 ARG N N 15 119.705 0.400 . 1 . . . . 28 ARG N . 7357 1 103 . 1 1 29 29 LYS H H 1 7.690 0.040 . 1 . . . . 29 LYS H . 7357 1 104 . 1 1 29 29 LYS CA C 13 59.104 0.400 . 1 . . . . 29 LYS CA . 7357 1 105 . 1 1 29 29 LYS CB C 13 32.292 0.400 . 1 . . . . 29 LYS CB . 7357 1 106 . 1 1 29 29 LYS N N 15 119.030 0.400 . 1 . . . . 29 LYS N . 7357 1 107 . 1 1 30 30 LEU H H 1 7.851 0.040 . 1 . . . . 30 LEU H . 7357 1 108 . 1 1 30 30 LEU CA C 13 56.639 0.400 . 1 . . . . 30 LEU CA . 7357 1 109 . 1 1 30 30 LEU CB C 13 42.429 0.400 . 1 . . . . 30 LEU CB . 7357 1 110 . 1 1 30 30 LEU N N 15 120.997 0.400 . 1 . . . . 30 LEU N . 7357 1 111 . 1 1 31 31 GLY H H 1 8.155 0.040 . 1 . . . . 31 GLY H . 7357 1 112 . 1 1 31 31 GLY CA C 13 45.929 0.400 . 1 . . . . 31 GLY CA . 7357 1 113 . 1 1 31 31 GLY N N 15 123.636 0.400 . 1 . . . . 31 GLY N . 7357 1 114 . 1 1 32 32 ALA H H 1 7.667 0.040 . 1 . . . . 32 ALA H . 7357 1 115 . 1 1 32 32 ALA CA C 13 53.431 0.400 . 1 . . . . 32 ALA CA . 7357 1 116 . 1 1 32 32 ALA CB C 13 19.022 0.400 . 1 . . . . 32 ALA CB . 7357 1 117 . 1 1 32 32 ALA N N 15 118.589 0.400 . 1 . . . . 32 ALA N . 7357 1 118 . 1 1 33 33 HIS H H 1 7.472 0.040 . 1 . . . . 33 HIS H . 7357 1 119 . 1 1 33 33 HIS CA C 13 54.003 0.400 . 1 . . . . 33 HIS CA . 7357 1 120 . 1 1 33 33 HIS CB C 13 28.464 0.400 . 1 . . . . 33 HIS CB . 7357 1 121 . 1 1 33 33 HIS N N 15 117.653 0.400 . 1 . . . . 33 HIS N . 7357 1 122 . 1 1 34 34 ASP H H 1 8.086 0.040 . 1 . . . . 34 ASP H . 7357 1 123 . 1 1 34 34 ASP CA C 13 54.571 0.400 . 1 . . . . 34 ASP CA . 7357 1 124 . 1 1 34 34 ASP CB C 13 41.327 0.400 . 1 . . . . 34 ASP CB . 7357 1 125 . 1 1 34 34 ASP N N 15 118.476 0.400 . 1 . . . . 34 ASP N . 7357 1 126 . 1 1 35 35 ASN H H 1 8.285 0.040 . 1 . . . . 35 ASN H . 7357 1 127 . 1 1 35 35 ASN CA C 13 53.617 0.400 . 1 . . . . 35 ASN CA . 7357 1 128 . 1 1 35 35 ASN CB C 13 37.494 0.400 . 1 . . . . 35 ASN CB . 7357 1 129 . 1 1 35 35 ASN N N 15 118.797 0.400 . 1 . . . . 35 ASN N . 7357 1 130 . 1 1 36 36 LEU H H 1 8.030 0.040 . 1 . . . . 36 LEU H . 7357 1 131 . 1 1 36 36 LEU CA C 13 57.256 0.400 . 1 . . . . 36 LEU CA . 7357 1 132 . 1 1 36 36 LEU CB C 13 42.439 0.400 . 1 . . . . 36 LEU CB . 7357 1 133 . 1 1 36 36 LEU N N 15 115.458 0.400 . 1 . . . . 36 LEU N . 7357 1 134 . 1 1 37 37 LYS H H 1 9.451 0.040 . 1 . . . . 37 LYS H . 7357 1 135 . 1 1 37 37 LYS CA C 13 54.625 0.400 . 1 . . . . 37 LYS CA . 7357 1 136 . 1 1 37 37 LYS CB C 13 36.420 0.400 . 1 . . . . 37 LYS CB . 7357 1 137 . 1 1 37 37 LYS N N 15 115.143 0.400 . 1 . . . . 37 LYS N . 7357 1 138 . 1 1 38 38 LEU H H 1 9.287 0.040 . 1 . . . . 38 LEU H . 7357 1 139 . 1 1 38 38 LEU CA C 13 52.394 0.400 . 1 . . . . 38 LEU CA . 7357 1 140 . 1 1 38 38 LEU CB C 13 45.668 0.400 . 1 . . . . 38 LEU CB . 7357 1 141 . 1 1 38 38 LEU N N 15 122.102 0.400 . 1 . . . . 38 LEU N . 7357 1 142 . 1 1 39 39 THR H H 1 9.295 0.040 . 1 . . . . 39 THR H . 7357 1 143 . 1 1 39 39 THR CA C 13 62.613 0.400 . 1 . . . . 39 THR CA . 7357 1 144 . 1 1 39 39 THR CB C 13 70.449 0.400 . 1 . . . . 39 THR CB . 7357 1 145 . 1 1 39 39 THR N N 15 116.773 0.400 . 1 . . . . 39 THR N . 7357 1 146 . 1 1 40 40 ILE H H 1 9.276 0.040 . 1 . . . . 40 ILE H . 7357 1 147 . 1 1 40 40 ILE CA C 13 61.610 0.400 . 1 . . . . 40 ILE CA . 7357 1 148 . 1 1 40 40 ILE CB C 13 40.317 0.400 . 1 . . . . 40 ILE CB . 7357 1 149 . 1 1 40 40 ILE N N 15 115.845 0.400 . 1 . . . . 40 ILE N . 7357 1 150 . 1 1 41 41 THR H H 1 8.869 0.040 . 1 . . . . 41 THR H . 7357 1 151 . 1 1 41 41 THR CA C 13 61.557 0.400 . 1 . . . . 41 THR CA . 7357 1 152 . 1 1 41 41 THR CB C 13 71.571 0.400 . 1 . . . . 41 THR CB . 7357 1 153 . 1 1 41 41 THR N N 15 117.865 0.400 . 1 . . . . 41 THR N . 7357 1 154 . 1 1 42 42 GLN H H 1 8.930 0.040 . 1 . . . . 42 GLN H . 7357 1 155 . 1 1 42 42 GLN CA C 13 54.310 0.400 . 1 . . . . 42 GLN CA . 7357 1 156 . 1 1 42 42 GLN CB C 13 29.425 0.400 . 1 . . . . 42 GLN CB . 7357 1 157 . 1 1 42 42 GLN N N 15 110.870 0.400 . 1 . . . . 42 GLN N . 7357 1 158 . 1 1 43 43 GLU H H 1 8.940 0.040 . 1 . . . . 43 GLU H . 7357 1 159 . 1 1 43 43 GLU CA C 13 54.500 0.400 . 1 . . . . 43 GLU CA . 7357 1 160 . 1 1 43 43 GLU CB C 13 31.397 0.400 . 1 . . . . 43 GLU CB . 7357 1 161 . 1 1 43 43 GLU N N 15 114.006 0.400 . 1 . . . . 43 GLU N . 7357 1 162 . 1 1 44 44 GLY H H 1 8.995 0.040 . 1 . . . . 44 GLY H . 7357 1 163 . 1 1 44 44 GLY CA C 13 47.110 0.400 . 1 . . . . 44 GLY CA . 7357 1 164 . 1 1 44 44 GLY N N 15 119.696 0.400 . 1 . . . . 44 GLY N . 7357 1 165 . 1 1 45 45 ASN H H 1 8.509 0.040 . 1 . . . . 45 ASN H . 7357 1 166 . 1 1 45 45 ASN CA C 13 52.887 0.400 . 1 . . . . 45 ASN CA . 7357 1 167 . 1 1 45 45 ASN CB C 13 39.137 0.400 . 1 . . . . 45 ASN CB . 7357 1 168 . 1 1 45 45 ASN N N 15 123.661 0.400 . 1 . . . . 45 ASN N . 7357 1 169 . 1 1 46 46 LYS H H 1 8.391 0.040 . 1 . . . . 46 LYS H . 7357 1 170 . 1 1 46 46 LYS CA C 13 55.485 0.400 . 1 . . . . 46 LYS CA . 7357 1 171 . 1 1 46 46 LYS CB C 13 34.400 0.400 . 1 . . . . 46 LYS CB . 7357 1 172 . 1 1 46 46 LYS N N 15 122.778 0.400 . 1 . . . . 46 LYS N . 7357 1 173 . 1 1 47 47 PHE H H 1 8.760 0.040 . 1 . . . . 47 PHE H . 7357 1 174 . 1 1 47 47 PHE CA C 13 56.456 0.400 . 1 . . . . 47 PHE CA . 7357 1 175 . 1 1 47 47 PHE CB C 13 42.899 0.400 . 1 . . . . 47 PHE CB . 7357 1 176 . 1 1 47 47 PHE N N 15 121.613 0.400 . 1 . . . . 47 PHE N . 7357 1 177 . 1 1 48 48 THR H H 1 8.854 0.040 . 1 . . . . 48 THR H . 7357 1 178 . 1 1 48 48 THR CA C 13 62.105 0.400 . 1 . . . . 48 THR CA . 7357 1 179 . 1 1 48 48 THR CB C 13 70.317 0.400 . 1 . . . . 48 THR CB . 7357 1 180 . 1 1 48 48 THR N N 15 113.258 0.400 . 1 . . . . 48 THR N . 7357 1 181 . 1 1 49 49 VAL H H 1 9.536 0.040 . 1 . . . . 49 VAL H . 7357 1 182 . 1 1 49 49 VAL CA C 13 60.748 0.400 . 1 . . . . 49 VAL CA . 7357 1 183 . 1 1 49 49 VAL CB C 13 34.292 0.400 . 1 . . . . 49 VAL CB . 7357 1 184 . 1 1 49 49 VAL N N 15 110.256 0.400 . 1 . . . . 49 VAL N . 7357 1 185 . 1 1 50 50 LYS H H 1 9.301 0.040 . 1 . . . . 50 LYS H . 7357 1 186 . 1 1 50 50 LYS CA C 13 55.642 0.400 . 1 . . . . 50 LYS CA . 7357 1 187 . 1 1 50 50 LYS N N 15 110.503 0.400 . 1 . . . . 50 LYS N . 7357 1 188 . 1 1 51 51 GLU H H 1 9.061 0.040 . 1 . . . . 51 GLU H . 7357 1 189 . 1 1 51 51 GLU CA C 13 55.108 0.400 . 1 . . . . 51 GLU CA . 7357 1 190 . 1 1 51 51 GLU CB C 13 30.956 0.400 . 1 . . . . 51 GLU CB . 7357 1 191 . 1 1 51 51 GLU N N 15 121.043 0.400 . 1 . . . . 51 GLU N . 7357 1 192 . 1 1 52 52 SER H H 1 9.062 0.040 . 1 . . . . 52 SER H . 7357 1 193 . 1 1 52 52 SER CA C 13 56.640 0.400 . 1 . . . . 52 SER CA . 7357 1 194 . 1 1 52 52 SER CB C 13 65.183 0.400 . 1 . . . . 52 SER CB . 7357 1 195 . 1 1 52 52 SER N N 15 121.055 0.400 . 1 . . . . 52 SER N . 7357 1 196 . 1 1 53 53 SER H H 1 9.129 0.040 . 1 . . . . 53 SER H . 7357 1 197 . 1 1 53 53 SER CA C 13 56.950 0.400 . 1 . . . . 53 SER CA . 7357 1 198 . 1 1 53 53 SER CB C 13 68.349 0.400 . 1 . . . . 53 SER CB . 7357 1 199 . 1 1 53 53 SER N N 15 115.903 0.400 . 1 . . . . 53 SER N . 7357 1 200 . 1 1 54 54 ASN H H 1 8.750 0.040 . 1 . . . . 54 ASN H . 7357 1 201 . 1 1 54 54 ASN CA C 13 54.498 0.400 . 1 . . . . 54 ASN CA . 7357 1 202 . 1 1 54 54 ASN CB C 13 37.508 0.400 . 1 . . . . 54 ASN CB . 7357 1 203 . 1 1 54 54 ASN N N 15 115.336 0.400 . 1 . . . . 54 ASN N . 7357 1 204 . 1 1 55 55 PHE H H 1 7.893 0.040 . 1 . . . . 55 PHE H . 7357 1 205 . 1 1 55 55 PHE CA C 13 58.878 0.400 . 1 . . . . 55 PHE CA . 7357 1 206 . 1 1 55 55 PHE CB C 13 40.502 0.400 . 1 . . . . 55 PHE CB . 7357 1 207 . 1 1 55 55 PHE N N 15 114.177 0.400 . 1 . . . . 55 PHE N . 7357 1 208 . 1 1 56 56 ARG H H 1 7.468 0.040 . 1 . . . . 56 ARG H . 7357 1 209 . 1 1 56 56 ARG CA C 13 55.531 0.400 . 1 . . . . 56 ARG CA . 7357 1 210 . 1 1 56 56 ARG CB C 13 31.343 0.400 . 1 . . . . 56 ARG CB . 7357 1 211 . 1 1 56 56 ARG N N 15 113.706 0.400 . 1 . . . . 56 ARG N . 7357 1 212 . 1 1 57 57 ASN H H 1 8.751 0.040 . 1 . . . . 57 ASN H . 7357 1 213 . 1 1 57 57 ASN CA C 13 52.722 0.400 . 1 . . . . 57 ASN CA . 7357 1 214 . 1 1 57 57 ASN CB C 13 40.498 0.400 . 1 . . . . 57 ASN CB . 7357 1 215 . 1 1 57 57 ASN N N 15 118.238 0.400 . 1 . . . . 57 ASN N . 7357 1 216 . 1 1 58 58 ILE H H 1 8.670 0.040 . 1 . . . . 58 ILE H . 7357 1 217 . 1 1 58 58 ILE CA C 13 59.847 0.400 . 1 . . . . 58 ILE CA . 7357 1 218 . 1 1 58 58 ILE CB C 13 42.937 0.400 . 1 . . . . 58 ILE CB . 7357 1 219 . 1 1 58 58 ILE N N 15 120.380 0.400 . 1 . . . . 58 ILE N . 7357 1 220 . 1 1 59 59 ASP H H 1 8.800 0.040 . 1 . . . . 59 ASP H . 7357 1 221 . 1 1 59 59 ASP CA C 13 53.433 0.400 . 1 . . . . 59 ASP CA . 7357 1 222 . 1 1 59 59 ASP CB C 13 41.728 0.400 . 1 . . . . 59 ASP CB . 7357 1 223 . 1 1 59 59 ASP N N 15 124.700 0.400 . 1 . . . . 59 ASP N . 7357 1 224 . 1 1 60 60 VAL H H 1 8.829 0.040 . 1 . . . . 60 VAL H . 7357 1 225 . 1 1 60 60 VAL CA C 13 62.300 0.400 . 1 . . . . 60 VAL CA . 7357 1 226 . 1 1 60 60 VAL CB C 13 33.521 0.400 . 1 . . . . 60 VAL CB . 7357 1 227 . 1 1 60 60 VAL N N 15 126.400 0.400 . 1 . . . . 60 VAL N . 7357 1 228 . 1 1 61 61 VAL H H 1 8.293 0.040 . 1 . . . . 61 VAL H . 7357 1 229 . 1 1 61 61 VAL CA C 13 60.220 0.400 . 1 . . . . 61 VAL CA . 7357 1 230 . 1 1 61 61 VAL CB C 13 34.556 0.400 . 1 . . . . 61 VAL CB . 7357 1 231 . 1 1 61 61 VAL N N 15 124.365 0.400 . 1 . . . . 61 VAL N . 7357 1 232 . 1 1 62 62 PHE H H 1 8.792 0.040 . 1 . . . . 62 PHE H . 7357 1 233 . 1 1 62 62 PHE CA C 13 55.413 0.400 . 1 . . . . 62 PHE CA . 7357 1 234 . 1 1 62 62 PHE CB C 13 40.390 0.400 . 1 . . . . 62 PHE CB . 7357 1 235 . 1 1 62 62 PHE N N 15 121.002 0.400 . 1 . . . . 62 PHE N . 7357 1 236 . 1 1 63 63 GLU H H 1 9.260 0.040 . 1 . . . . 63 GLU H . 7357 1 237 . 1 1 63 63 GLU CA C 13 53.409 0.400 . 1 . . . . 63 GLU CA . 7357 1 238 . 1 1 63 63 GLU CB C 13 32.430 0.400 . 1 . . . . 63 GLU CB . 7357 1 239 . 1 1 63 63 GLU N N 15 122.302 0.400 . 1 . . . . 63 GLU N . 7357 1 240 . 1 1 64 64 LEU H H 1 9.060 0.040 . 1 . . . . 64 LEU H . 7357 1 241 . 1 1 64 64 LEU CA C 13 56.334 0.400 . 1 . . . . 64 LEU CA . 7357 1 242 . 1 1 64 64 LEU CB C 13 41.386 0.400 . 1 . . . . 64 LEU CB . 7357 1 243 . 1 1 64 64 LEU N N 15 125.637 0.400 . 1 . . . . 64 LEU N . 7357 1 244 . 1 1 65 65 GLY H H 1 8.916 0.040 . 1 . . . . 65 GLY H . 7357 1 245 . 1 1 65 65 GLY CA C 13 45.947 0.400 . 1 . . . . 65 GLY CA . 7357 1 246 . 1 1 65 65 GLY N N 15 125.464 0.400 . 1 . . . . 65 GLY N . 7357 1 247 . 1 1 66 66 VAL H H 1 8.273 0.040 . 1 . . . . 66 VAL H . 7357 1 248 . 1 1 66 66 VAL CA C 13 62.498 0.400 . 1 . . . . 66 VAL CA . 7357 1 249 . 1 1 66 66 VAL CB C 13 32.740 0.400 . 1 . . . . 66 VAL CB . 7357 1 250 . 1 1 66 66 VAL N N 15 119.247 0.400 . 1 . . . . 66 VAL N . 7357 1 251 . 1 1 67 67 ASP H H 1 9.085 0.040 . 1 . . . . 67 ASP H . 7357 1 252 . 1 1 67 67 ASP CA C 13 55.430 0.400 . 1 . . . . 67 ASP CA . 7357 1 253 . 1 1 67 67 ASP CB C 13 41.989 0.400 . 1 . . . . 67 ASP CB . 7357 1 254 . 1 1 67 67 ASP N N 15 117.436 0.400 . 1 . . . . 67 ASP N . 7357 1 255 . 1 1 68 68 PHE H H 1 9.006 0.040 . 1 . . . . 68 PHE H . 7357 1 256 . 1 1 68 68 PHE CA C 13 56.188 0.400 . 1 . . . . 68 PHE CA . 7357 1 257 . 1 1 68 68 PHE CB C 13 41.435 0.400 . 1 . . . . 68 PHE CB . 7357 1 258 . 1 1 68 68 PHE N N 15 121.619 0.400 . 1 . . . . 68 PHE N . 7357 1 259 . 1 1 69 69 ALA H H 1 8.313 0.040 . 1 . . . . 69 ALA H . 7357 1 260 . 1 1 69 69 ALA CA C 13 50.450 0.400 . 1 . . . . 69 ALA CA . 7357 1 261 . 1 1 69 69 ALA CB C 13 21.406 0.400 . 1 . . . . 69 ALA CB . 7357 1 262 . 1 1 69 69 ALA N N 15 122.159 0.400 . 1 . . . . 69 ALA N . 7357 1 263 . 1 1 70 70 TYR H H 1 8.057 0.040 . 1 . . . . 70 TYR H . 7357 1 264 . 1 1 70 70 TYR CA C 13 57.214 0.400 . 1 . . . . 70 TYR CA . 7357 1 265 . 1 1 70 70 TYR CB C 13 46.427 0.400 . 1 . . . . 70 TYR CB . 7357 1 266 . 1 1 70 70 TYR N N 15 122.189 0.400 . 1 . . . . 70 TYR N . 7357 1 267 . 1 1 71 71 SER H H 1 7.902 0.040 . 1 . . . . 71 SER H . 7357 1 268 . 1 1 71 71 SER CA C 13 55.636 0.400 . 1 . . . . 71 SER CA . 7357 1 269 . 1 1 71 71 SER CB C 13 64.847 0.400 . 1 . . . . 71 SER CB . 7357 1 270 . 1 1 71 71 SER N N 15 121.468 0.400 . 1 . . . . 71 SER N . 7357 1 271 . 1 1 72 72 LEU H H 1 8.473 0.040 . 1 . . . . 72 LEU H . 7357 1 272 . 1 1 72 72 LEU CA C 13 54.476 0.400 . 1 . . . . 72 LEU CA . 7357 1 273 . 1 1 72 72 LEU CB C 13 41.875 0.400 . 1 . . . . 72 LEU CB . 7357 1 274 . 1 1 72 72 LEU N N 15 122.700 0.400 . 1 . . . . 72 LEU N . 7357 1 275 . 1 1 73 73 ALA H H 1 8.656 0.040 . 1 . . . . 73 ALA H . 7357 1 276 . 1 1 73 73 ALA N N 15 123.175 0.400 . 1 . . . . 73 ALA N . 7357 1 277 . 1 1 74 74 ASP H H 1 7.681 0.040 . 1 . . . . 74 ASP H . 7357 1 278 . 1 1 74 74 ASP CA C 13 54.600 0.400 . 1 . . . . 74 ASP CA . 7357 1 279 . 1 1 74 74 ASP N N 15 113.350 0.400 . 1 . . . . 74 ASP N . 7357 1 280 . 1 1 75 75 GLY H H 1 7.790 0.040 . 1 . . . . 75 GLY H . 7357 1 281 . 1 1 75 75 GLY CA C 13 44.890 0.400 . 1 . . . . 75 GLY CA . 7357 1 282 . 1 1 75 75 GLY N N 15 124.459 0.400 . 1 . . . . 75 GLY N . 7357 1 283 . 1 1 76 76 THR H H 1 8.085 0.040 . 1 . . . . 76 THR H . 7357 1 284 . 1 1 76 76 THR CA C 13 65.473 0.400 . 1 . . . . 76 THR CA . 7357 1 285 . 1 1 76 76 THR CB C 13 68.224 0.400 . 1 . . . . 76 THR CB . 7357 1 286 . 1 1 76 76 THR N N 15 115.997 0.400 . 1 . . . . 76 THR N . 7357 1 287 . 1 1 77 77 GLU H H 1 8.671 0.040 . 1 . . . . 77 GLU H . 7357 1 288 . 1 1 77 77 GLU CA C 13 57.175 0.400 . 1 . . . . 77 GLU CA . 7357 1 289 . 1 1 77 77 GLU CB C 13 30.585 0.400 . 1 . . . . 77 GLU CB . 7357 1 290 . 1 1 77 77 GLU N N 15 115.693 0.400 . 1 . . . . 77 GLU N . 7357 1 291 . 1 1 78 78 LEU H H 1 8.858 0.040 . 1 . . . . 78 LEU H . 7357 1 292 . 1 1 78 78 LEU CA C 13 53.389 0.400 . 1 . . . . 78 LEU CA . 7357 1 293 . 1 1 78 78 LEU CB C 13 46.654 0.400 . 1 . . . . 78 LEU CB . 7357 1 294 . 1 1 78 78 LEU N N 15 118.537 0.400 . 1 . . . . 78 LEU N . 7357 1 295 . 1 1 79 79 THR H H 1 8.555 0.040 . 1 . . . . 79 THR H . 7357 1 296 . 1 1 79 79 THR CA C 13 60.218 0.400 . 1 . . . . 79 THR CA . 7357 1 297 . 1 1 79 79 THR CB C 13 70.908 0.400 . 1 . . . . 79 THR CB . 7357 1 298 . 1 1 79 79 THR N N 15 111.462 0.400 . 1 . . . . 79 THR N . 7357 1 299 . 1 1 80 80 GLY H H 1 8.075 0.040 . 1 . . . . 80 GLY H . 7357 1 300 . 1 1 80 80 GLY CA C 13 46.361 0.400 . 1 . . . . 80 GLY CA . 7357 1 301 . 1 1 80 80 GLY N N 15 114.753 0.400 . 1 . . . . 80 GLY N . 7357 1 302 . 1 1 81 81 THR H H 1 7.693 0.040 . 1 . . . . 81 THR H . 7357 1 303 . 1 1 81 81 THR CA C 13 59.712 0.400 . 1 . . . . 81 THR CA . 7357 1 304 . 1 1 81 81 THR CB C 13 73.274 0.400 . 1 . . . . 81 THR CB . 7357 1 305 . 1 1 81 81 THR N N 15 123.940 0.400 . 1 . . . . 81 THR N . 7357 1 306 . 1 1 82 82 TRP H H 1 9.286 0.040 . 1 . . . . 82 TRP H . 7357 1 307 . 1 1 82 82 TRP CA C 13 55.911 0.400 . 1 . . . . 82 TRP CA . 7357 1 308 . 1 1 82 82 TRP CB C 13 32.735 0.400 . 1 . . . . 82 TRP CB . 7357 1 309 . 1 1 82 82 TRP N N 15 119.077 0.400 . 1 . . . . 82 TRP N . 7357 1 310 . 1 1 83 83 THR H H 1 9.161 0.040 . 1 . . . . 83 THR H . 7357 1 311 . 1 1 83 83 THR CA C 13 60.584 0.400 . 1 . . . . 83 THR CA . 7357 1 312 . 1 1 83 83 THR CB C 13 72.056 0.400 . 1 . . . . 83 THR CB . 7357 1 313 . 1 1 83 83 THR N N 15 116.670 0.400 . 1 . . . . 83 THR N . 7357 1 314 . 1 1 84 84 MET H H 1 8.996 0.040 . 1 . . . . 84 MET H . 7357 1 315 . 1 1 84 84 MET CA C 13 54.188 0.400 . 1 . . . . 84 MET CA . 7357 1 316 . 1 1 84 84 MET CB C 13 33.354 0.400 . 1 . . . . 84 MET CB . 7357 1 317 . 1 1 84 84 MET N N 15 116.835 0.400 . 1 . . . . 84 MET N . 7357 1 318 . 1 1 85 85 GLU H H 1 9.082 0.040 . 1 . . . . 85 GLU H . 7357 1 319 . 1 1 85 85 GLU CA C 13 54.877 0.400 . 1 . . . . 85 GLU CA . 7357 1 320 . 1 1 85 85 GLU CB C 13 30.509 0.400 . 1 . . . . 85 GLU CB . 7357 1 321 . 1 1 85 85 GLU N N 15 112.785 0.400 . 1 . . . . 85 GLU N . 7357 1 322 . 1 1 86 86 GLY H H 1 9.036 0.040 . 1 . . . . 86 GLY H . 7357 1 323 . 1 1 86 86 GLY CA C 13 47.307 0.400 . 1 . . . . 86 GLY CA . 7357 1 324 . 1 1 86 86 GLY N N 15 118.713 0.400 . 1 . . . . 86 GLY N . 7357 1 325 . 1 1 87 87 ASN H H 1 8.557 0.040 . 1 . . . . 87 ASN H . 7357 1 326 . 1 1 87 87 ASN CA C 13 52.924 0.400 . 1 . . . . 87 ASN CA . 7357 1 327 . 1 1 87 87 ASN CB C 13 38.546 0.400 . 1 . . . . 87 ASN CB . 7357 1 328 . 1 1 87 87 ASN N N 15 121.790 0.400 . 1 . . . . 87 ASN N . 7357 1 329 . 1 1 88 88 LYS H H 1 8.227 0.040 . 1 . . . . 88 LYS H . 7357 1 330 . 1 1 88 88 LYS CA C 13 55.610 0.400 . 1 . . . . 88 LYS CA . 7357 1 331 . 1 1 88 88 LYS CB C 13 35.256 0.400 . 1 . . . . 88 LYS CB . 7357 1 332 . 1 1 88 88 LYS N N 15 121.144 0.400 . 1 . . . . 88 LYS N . 7357 1 333 . 1 1 89 89 LEU H H 1 8.908 0.040 . 1 . . . . 89 LEU H . 7357 1 334 . 1 1 89 89 LEU CA C 13 53.762 0.400 . 1 . . . . 89 LEU CA . 7357 1 335 . 1 1 89 89 LEU CB C 13 44.428 0.400 . 1 . . . . 89 LEU CB . 7357 1 336 . 1 1 89 89 LEU N N 15 124.228 0.400 . 1 . . . . 89 LEU N . 7357 1 337 . 1 1 90 90 VAL H H 1 9.772 0.040 . 1 . . . . 90 VAL H . 7357 1 338 . 1 1 90 90 VAL CA C 13 62.431 0.400 . 1 . . . . 90 VAL CA . 7357 1 339 . 1 1 90 90 VAL CB C 13 33.780 0.400 . 1 . . . . 90 VAL CB . 7357 1 340 . 1 1 90 90 VAL N N 15 123.949 0.400 . 1 . . . . 90 VAL N . 7357 1 341 . 1 1 91 91 GLY H H 1 9.505 0.040 . 1 . . . . 91 GLY H . 7357 1 342 . 1 1 91 91 GLY CA C 13 52.306 0.400 . 1 . . . . 91 GLY CA . 7357 1 343 . 1 1 91 91 GLY N N 15 123.371 0.400 . 1 . . . . 91 GLY N . 7357 1 344 . 1 1 92 92 LYS H H 1 8.032 0.040 . 1 . . . . 92 LYS H . 7357 1 345 . 1 1 92 92 LYS CA C 13 55.307 0.400 . 1 . . . . 92 LYS CA . 7357 1 346 . 1 1 92 92 LYS CB C 13 32.822 0.400 . 1 . . . . 92 LYS CB . 7357 1 347 . 1 1 92 92 LYS N N 15 124.454 0.400 . 1 . . . . 92 LYS N . 7357 1 348 . 1 1 93 93 PHE H H 1 8.875 0.040 . 1 . . . . 93 PHE H . 7357 1 349 . 1 1 93 93 PHE CA C 13 55.764 0.400 . 1 . . . . 93 PHE CA . 7357 1 350 . 1 1 93 93 PHE CB C 13 44.012 0.400 . 1 . . . . 93 PHE CB . 7357 1 351 . 1 1 93 93 PHE N N 15 121.987 0.400 . 1 . . . . 93 PHE N . 7357 1 352 . 1 1 94 94 LYS H H 1 9.122 0.040 . 1 . . . . 94 LYS H . 7357 1 353 . 1 1 94 94 LYS CA C 13 54.779 0.400 . 1 . . . . 94 LYS CA . 7357 1 354 . 1 1 94 94 LYS CB C 13 36.035 0.400 . 1 . . . . 94 LYS CB . 7357 1 355 . 1 1 94 94 LYS N N 15 121.402 0.400 . 1 . . . . 94 LYS N . 7357 1 356 . 1 1 95 95 ARG H H 1 8.643 0.040 . 1 . . . . 95 ARG H . 7357 1 357 . 1 1 95 95 ARG CA C 13 56.703 0.400 . 1 . . . . 95 ARG CA . 7357 1 358 . 1 1 95 95 ARG CB C 13 30.978 0.400 . 1 . . . . 95 ARG CB . 7357 1 359 . 1 1 95 95 ARG N N 15 124.251 0.400 . 1 . . . . 95 ARG N . 7357 1 360 . 1 1 96 96 VAL H H 1 8.696 0.040 . 1 . . . . 96 VAL H . 7357 1 361 . 1 1 96 96 VAL CA C 13 65.521 0.400 . 1 . . . . 96 VAL CA . 7357 1 362 . 1 1 96 96 VAL CB C 13 32.418 0.400 . 1 . . . . 96 VAL CB . 7357 1 363 . 1 1 96 96 VAL N N 15 123.193 0.400 . 1 . . . . 96 VAL N . 7357 1 364 . 1 1 97 97 ASP H H 1 8.985 0.040 . 1 . . . . 97 ASP H . 7357 1 365 . 1 1 97 97 ASP CA C 13 56.424 0.400 . 1 . . . . 97 ASP CA . 7357 1 366 . 1 1 97 97 ASP CB C 13 38.905 0.400 . 1 . . . . 97 ASP CB . 7357 1 367 . 1 1 97 97 ASP N N 15 118.152 0.400 . 1 . . . . 97 ASP N . 7357 1 368 . 1 1 98 98 ASN H H 1 8.372 0.040 . 1 . . . . 98 ASN H . 7357 1 369 . 1 1 98 98 ASN CA C 13 51.346 0.400 . 1 . . . . 98 ASN CA . 7357 1 370 . 1 1 98 98 ASN CB C 13 39.199 0.400 . 1 . . . . 98 ASN CB . 7357 1 371 . 1 1 98 98 ASN N N 15 121.200 0.400 . 1 . . . . 98 ASN N . 7357 1 372 . 1 1 99 99 GLY H H 1 8.035 0.040 . 1 . . . . 99 GLY H . 7357 1 373 . 1 1 99 99 GLY CA C 13 46.156 0.400 . 1 . . . . 99 GLY CA . 7357 1 374 . 1 1 99 99 GLY N N 15 125.524 0.400 . 1 . . . . 99 GLY N . 7357 1 375 . 1 1 100 100 LYS H H 1 8.324 0.040 . 1 . . . . 100 LYS H . 7357 1 376 . 1 1 100 100 LYS CA C 13 57.116 0.400 . 1 . . . . 100 LYS CA . 7357 1 377 . 1 1 100 100 LYS CB C 13 34.339 0.400 . 1 . . . . 100 LYS CB . 7357 1 378 . 1 1 100 100 LYS N N 15 119.985 0.400 . 1 . . . . 100 LYS N . 7357 1 379 . 1 1 101 101 GLU H H 1 8.665 0.040 . 1 . . . . 101 GLU H . 7357 1 380 . 1 1 101 101 GLU CA C 13 56.590 0.400 . 1 . . . . 101 GLU CA . 7357 1 381 . 1 1 101 101 GLU CB C 13 32.313 0.400 . 1 . . . . 101 GLU CB . 7357 1 382 . 1 1 101 101 GLU N N 15 122.220 0.400 . 1 . . . . 101 GLU N . 7357 1 383 . 1 1 102 102 LEU H H 1 8.692 0.040 . 1 . . . . 102 LEU H . 7357 1 384 . 1 1 102 102 LEU CA C 13 55.068 0.400 . 1 . . . . 102 LEU CA . 7357 1 385 . 1 1 102 102 LEU CB C 13 46.309 0.400 . 1 . . . . 102 LEU CB . 7357 1 386 . 1 1 102 102 LEU N N 15 125.479 0.400 . 1 . . . . 102 LEU N . 7357 1 387 . 1 1 103 103 ILE H H 1 8.802 0.040 . 1 . . . . 103 ILE H . 7357 1 388 . 1 1 103 103 ILE CA C 13 58.840 0.400 . 1 . . . . 103 ILE CA . 7357 1 389 . 1 1 103 103 ILE CB C 13 39.547 0.400 . 1 . . . . 103 ILE CB . 7357 1 390 . 1 1 103 103 ILE N N 15 120.022 0.400 . 1 . . . . 103 ILE N . 7357 1 391 . 1 1 104 104 ALA H H 1 9.267 0.040 . 1 . . . . 104 ALA H . 7357 1 392 . 1 1 104 104 ALA CA C 13 49.287 0.400 . 1 . . . . 104 ALA CA . 7357 1 393 . 1 1 104 104 ALA CB C 13 24.446 0.400 . 1 . . . . 104 ALA CB . 7357 1 394 . 1 1 104 104 ALA N N 15 116.154 0.400 . 1 . . . . 104 ALA N . 7357 1 395 . 1 1 105 105 VAL H H 1 9.254 0.040 . 1 . . . . 105 VAL H . 7357 1 396 . 1 1 105 105 VAL CA C 13 60.994 0.400 . 1 . . . . 105 VAL CA . 7357 1 397 . 1 1 105 105 VAL CB C 13 36.314 0.400 . 1 . . . . 105 VAL CB . 7357 1 398 . 1 1 105 105 VAL N N 15 122.789 0.400 . 1 . . . . 105 VAL N . 7357 1 399 . 1 1 106 106 ARG H H 1 9.168 0.040 . 1 . . . . 106 ARG H . 7357 1 400 . 1 1 106 106 ARG CA C 13 55.030 0.400 . 1 . . . . 106 ARG CA . 7357 1 401 . 1 1 106 106 ARG CB C 13 34.000 0.400 . 1 . . . . 106 ARG CB . 7357 1 402 . 1 1 106 106 ARG N N 15 123.465 0.400 . 1 . . . . 106 ARG N . 7357 1 403 . 1 1 107 107 GLU H H 1 8.703 0.040 . 1 . . . . 107 GLU H . 7357 1 404 . 1 1 107 107 GLU CA C 13 54.333 0.400 . 1 . . . . 107 GLU CA . 7357 1 405 . 1 1 107 107 GLU CB C 13 34.405 0.400 . 1 . . . . 107 GLU CB . 7357 1 406 . 1 1 107 107 GLU N N 15 122.332 0.400 . 1 . . . . 107 GLU N . 7357 1 407 . 1 1 108 108 ILE H H 1 8.876 0.040 . 1 . . . . 108 ILE H . 7357 1 408 . 1 1 108 108 ILE CA C 13 58.537 0.400 . 1 . . . . 108 ILE CA . 7357 1 409 . 1 1 108 108 ILE CB C 13 37.340 0.400 . 1 . . . . 108 ILE CB . 7357 1 410 . 1 1 108 108 ILE N N 15 123.653 0.400 . 1 . . . . 108 ILE N . 7357 1 411 . 1 1 109 109 SER H H 1 9.102 0.040 . 1 . . . . 109 SER H . 7357 1 412 . 1 1 109 109 SER CA C 13 56.321 0.400 . 1 . . . . 109 SER CA . 7357 1 413 . 1 1 109 109 SER CB C 13 63.629 0.400 . 1 . . . . 109 SER CB . 7357 1 414 . 1 1 109 109 SER N N 15 121.773 0.400 . 1 . . . . 109 SER N . 7357 1 415 . 1 1 110 110 GLY H H 1 9.165 0.040 . 1 . . . . 110 GLY H . 7357 1 416 . 1 1 110 110 GLY CA C 13 47.324 0.400 . 1 . . . . 110 GLY CA . 7357 1 417 . 1 1 110 110 GLY N N 15 120.643 0.400 . 1 . . . . 110 GLY N . 7357 1 418 . 1 1 111 111 ASN H H 1 8.546 0.040 . 1 . . . . 111 ASN H . 7357 1 419 . 1 1 111 111 ASN CA C 13 52.922 0.400 . 1 . . . . 111 ASN CA . 7357 1 420 . 1 1 111 111 ASN CB C 13 38.711 0.400 . 1 . . . . 111 ASN CB . 7357 1 421 . 1 1 111 111 ASN N N 15 121.542 0.400 . 1 . . . . 111 ASN N . 7357 1 422 . 1 1 112 112 GLU H H 1 8.167 0.040 . 1 . . . . 112 GLU H . 7357 1 423 . 1 1 112 112 GLU CA C 13 55.257 0.400 . 1 . . . . 112 GLU CA . 7357 1 424 . 1 1 112 112 GLU CB C 13 33.367 0.400 . 1 . . . . 112 GLU CB . 7357 1 425 . 1 1 112 112 GLU N N 15 120.589 0.400 . 1 . . . . 112 GLU N . 7357 1 426 . 1 1 113 113 LEU H H 1 8.725 0.040 . 1 . . . . 113 LEU H . 7357 1 427 . 1 1 113 113 LEU CA C 13 53.882 0.400 . 1 . . . . 113 LEU CA . 7357 1 428 . 1 1 113 113 LEU CB C 13 43.493 0.400 . 1 . . . . 113 LEU CB . 7357 1 429 . 1 1 113 113 LEU N N 15 117.959 0.400 . 1 . . . . 113 LEU N . 7357 1 430 . 1 1 114 114 ILE H H 1 9.358 0.040 . 1 . . . . 114 ILE H . 7357 1 431 . 1 1 114 114 ILE CA C 13 61.434 0.400 . 1 . . . . 114 ILE CA . 7357 1 432 . 1 1 114 114 ILE N N 15 110.192 0.400 . 1 . . . . 114 ILE N . 7357 1 433 . 1 1 115 115 GLN H H 1 9.262 0.040 . 1 . . . . 115 GLN H . 7357 1 434 . 1 1 115 115 GLN CA C 13 53.865 0.400 . 1 . . . . 115 GLN CA . 7357 1 435 . 1 1 115 115 GLN N N 15 112.485 0.400 . 1 . . . . 115 GLN N . 7357 1 436 . 1 1 116 116 THR H H 1 9.302 0.040 . 1 . . . . 116 THR H . 7357 1 437 . 1 1 116 116 THR CA C 13 61.403 0.400 . 1 . . . . 116 THR CA . 7357 1 438 . 1 1 116 116 THR CB C 13 70.359 0.400 . 1 . . . . 116 THR CB . 7357 1 439 . 1 1 116 116 THR N N 15 115.813 0.400 . 1 . . . . 116 THR N . 7357 1 440 . 1 1 117 117 TYR H H 1 9.165 0.040 . 1 . . . . 117 TYR H . 7357 1 441 . 1 1 117 117 TYR CA C 13 54.096 0.400 . 1 . . . . 117 TYR CA . 7357 1 442 . 1 1 117 117 TYR CB C 13 42.906 0.400 . 1 . . . . 117 TYR CB . 7357 1 443 . 1 1 117 117 TYR N N 15 121.331 0.400 . 1 . . . . 117 TYR N . 7357 1 444 . 1 1 118 118 THR H H 1 9.128 0.040 . 1 . . . . 118 THR H . 7357 1 445 . 1 1 118 118 THR CA C 13 62.162 0.400 . 1 . . . . 118 THR CA . 7357 1 446 . 1 1 118 118 THR CB C 13 70.607 0.400 . 1 . . . . 118 THR CB . 7357 1 447 . 1 1 118 118 THR N N 15 120.026 0.400 . 1 . . . . 118 THR N . 7357 1 448 . 1 1 119 119 TYR H H 1 9.291 0.040 . 1 . . . . 119 TYR H . 7357 1 449 . 1 1 119 119 TYR CA C 13 57.839 0.400 . 1 . . . . 119 TYR CA . 7357 1 450 . 1 1 119 119 TYR CB C 13 43.311 0.400 . 1 . . . . 119 TYR CB . 7357 1 451 . 1 1 119 119 TYR N N 15 126.778 0.400 . 1 . . . . 119 TYR N . 7357 1 452 . 1 1 120 120 GLU H H 1 9.167 0.040 . 1 . . . . 120 GLU H . 7357 1 453 . 1 1 120 120 GLU CA C 13 56.313 0.400 . 1 . . . . 120 GLU CA . 7357 1 454 . 1 1 120 120 GLU CB C 13 28.813 0.400 . 1 . . . . 120 GLU CB . 7357 1 455 . 1 1 120 120 GLU N N 15 123.939 0.400 . 1 . . . . 120 GLU N . 7357 1 456 . 1 1 121 121 GLY H H 1 8.550 0.040 . 1 . . . . 121 GLY H . 7357 1 457 . 1 1 121 121 GLY CA C 13 45.110 0.400 . 1 . . . . 121 GLY CA . 7357 1 458 . 1 1 121 121 GLY N N 15 121.434 0.400 . 1 . . . . 121 GLY N . 7357 1 459 . 1 1 122 122 VAL H H 1 8.470 0.040 . 1 . . . . 122 VAL H . 7357 1 460 . 1 1 122 122 VAL CA C 13 62.532 0.400 . 1 . . . . 122 VAL CA . 7357 1 461 . 1 1 122 122 VAL CB C 13 32.884 0.400 . 1 . . . . 122 VAL CB . 7357 1 462 . 1 1 122 122 VAL N N 15 118.054 0.400 . 1 . . . . 122 VAL N . 7357 1 463 . 1 1 123 123 GLU H H 1 8.885 0.040 . 1 . . . . 123 GLU H . 7357 1 464 . 1 1 123 123 GLU CA C 13 54.097 0.400 . 1 . . . . 123 GLU CA . 7357 1 465 . 1 1 123 123 GLU CB C 13 33.540 0.400 . 1 . . . . 123 GLU CB . 7357 1 466 . 1 1 123 123 GLU N N 15 116.797 0.400 . 1 . . . . 123 GLU N . 7357 1 467 . 1 1 124 124 ALA H H 1 9.106 0.040 . 1 . . . . 124 ALA H . 7357 1 468 . 1 1 124 124 ALA CA C 13 50.473 0.400 . 1 . . . . 124 ALA CA . 7357 1 469 . 1 1 124 124 ALA CB C 13 24.259 0.400 . 1 . . . . 124 ALA CB . 7357 1 470 . 1 1 124 124 ALA N N 15 122.796 0.400 . 1 . . . . 124 ALA N . 7357 1 471 . 1 1 125 125 LYS H H 1 8.998 0.040 . 1 . . . . 125 LYS H . 7357 1 472 . 1 1 125 125 LYS CA C 13 54.387 0.400 . 1 . . . . 125 LYS CA . 7357 1 473 . 1 1 125 125 LYS CB C 13 37.619 0.400 . 1 . . . . 125 LYS CB . 7357 1 474 . 1 1 125 125 LYS N N 15 117.635 0.400 . 1 . . . . 125 LYS N . 7357 1 475 . 1 1 126 126 ARG H H 1 9.020 0.040 . 1 . . . . 126 ARG H . 7357 1 476 . 1 1 126 126 ARG CA C 13 56.467 0.400 . 1 . . . . 126 ARG CA . 7357 1 477 . 1 1 126 126 ARG CB C 13 33.709 0.400 . 1 . . . . 126 ARG CB . 7357 1 478 . 1 1 126 126 ARG N N 15 121.593 0.400 . 1 . . . . 126 ARG N . 7357 1 479 . 1 1 127 127 ILE H H 1 9.283 0.040 . 1 . . . . 127 ILE H . 7357 1 480 . 1 1 127 127 ILE CA C 13 61.513 0.400 . 1 . . . . 127 ILE CA . 7357 1 481 . 1 1 127 127 ILE CB C 13 39.411 0.400 . 1 . . . . 127 ILE CB . 7357 1 482 . 1 1 127 127 ILE N N 15 125.103 0.400 . 1 . . . . 127 ILE N . 7357 1 483 . 1 1 128 128 PHE H H 1 9.595 0.040 . 1 . . . . 128 PHE H . 7357 1 484 . 1 1 128 128 PHE CA C 13 56.048 0.400 . 1 . . . . 128 PHE CA . 7357 1 485 . 1 1 128 128 PHE CB C 13 43.168 0.400 . 1 . . . . 128 PHE CB . 7357 1 486 . 1 1 128 128 PHE N N 15 123.904 0.400 . 1 . . . . 128 PHE N . 7357 1 487 . 1 1 129 129 LYS H H 1 8.868 0.040 . 1 . . . . 129 LYS H . 7357 1 488 . 1 1 129 129 LYS CA C 13 54.911 0.400 . 1 . . . . 129 LYS CA . 7357 1 489 . 1 1 129 129 LYS CB C 13 36.181 0.400 . 1 . . . . 129 LYS CB . 7357 1 490 . 1 1 129 129 LYS N N 15 121.956 0.400 . 1 . . . . 129 LYS N . 7357 1 491 . 1 1 130 130 LYS H H 1 8.588 0.040 . 1 . . . . 130 LYS H . 7357 1 492 . 1 1 130 130 LYS CA C 13 56.857 0.400 . 1 . . . . 130 LYS CA . 7357 1 493 . 1 1 130 130 LYS CB C 13 33.408 0.400 . 1 . . . . 130 LYS CB . 7357 1 494 . 1 1 130 130 LYS N N 15 121.016 0.400 . 1 . . . . 130 LYS N . 7357 1 495 . 1 1 131 131 GLU H H 1 8.394 0.040 . 1 . . . . 131 GLU H . 7357 1 496 . 1 1 131 131 GLU CA C 13 58.480 0.400 . 1 . . . . 131 GLU CA . 7357 1 stop_ save_