data_25333 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25333 _Entry.Title ; BILE SALT RECOGNITION BY HUMAN LIVER FATTY ACID BINDING PROTEIN ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-11-12 _Entry.Accession_date 2014-11-12 _Entry.Last_release_date 2015-08-25 _Entry.Original_release_date 2015-08-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1.1.61 _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 Filippo Favretto . . . 25333 2 Carlo Santambrogio . . . 25333 3 Mariapina D'Onofrio . . . 25333 4 Henriette Molinari . . . 25333 5 Rita Grandori . . . 25333 6 Michael Assfalg . . . 25333 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25333 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 250 25333 '15N chemical shifts' 130 25333 '1H chemical shifts' 130 25333 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-08-25 . original BMRB . 25333 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25333 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25639618 _Citation.Full_citation . _Citation.Title ; Bile salt recognition by human liver fatty acid binding protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full . _Citation.Journal_volume 282 _Citation.Journal_issue 287 _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 1271 _Citation.Page_last 1288 _Citation.Year 2015 _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 Filippo Favretto . . . 25333 1 2 Carlo Santambrogio . . . 25333 1 3 Mariapina D'Onofrio . . . 25333 1 4 Henriette Molinari . . . 25333 1 5 Rita Grandori . . . 25333 1 6 Michael Assfalg . . . 25333 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25333 _Assembly.ID 1 _Assembly.Name hL-FABP:TCH _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'human liver fatty acid binding protein' 1 $hL-FABP A . yes native no no . . . 25333 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hL-FABP _Entity.Sf_category entity _Entity.Sf_framecode hL-FABP _Entity.Entry_ID 25333 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hL-FABP _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 ; MRGSMSFSGKYQLQSQENFE AFMKAIGLPEELIQKGKDIK GVSEIVQNGKHFKFTITAGS KVIQNEFTVGEECELETMTG EKVKTVVQLEGDNKLVTAFK NIKSVTELNGDIITNTMTLG DIVFKRISKRILVPR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '-3M, -2R, -1G, 0S, 1M,' _Entity.Polymer_author_seq_details 'First and last four residues are added for cloning and tag purposes. Variant T94A' _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 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 17302 . L-FABP . . . . . 93.33 126 99.21 99.21 1.93e-81 . . . . 25333 1 2 no BMRB 17303 . L-FABP . . . . . 93.33 126 99.21 99.21 1.93e-81 . . . . 25333 1 3 no BMRB 19160 . hL-FABP . . . . . 100.00 135 100.00 100.00 3.75e-90 . . . . 25333 1 4 no BMRB 19188 . hL-FABP . . . . . 100.00 135 100.00 100.00 3.75e-90 . . . . 25333 1 5 no BMRB 19189 . hL-FABP . . . . . 100.00 135 100.00 100.00 3.75e-90 . . . . 25333 1 6 no PDB 2F73 . "Crystal Structure Of Human Fatty Acid Binding Protein 1 (Fabp1)" . . . . . 94.81 149 99.22 99.22 4.55e-83 . . . . 25333 1 7 no PDB 2L67 . "Solution Structure Of Human Apo L-fabp" . . . . . 93.33 126 99.21 99.21 1.93e-81 . . . . 25333 1 8 no PDB 2L68 . "Solution Structure Of Human Holo L-fabp" . . . . . 93.33 126 99.21 99.21 1.93e-81 . . . . 25333 1 9 no PDB 2LKK . "Human L-fabp In Complex With Oleate" . . . . . 93.33 126 99.21 99.21 1.93e-81 . . . . 25333 1 10 no PDB 2PY1 . "Solution Structure Of Human Liver Fatty Acid Binding Protein" . . . . . 95.56 129 99.22 99.22 7.86e-84 . . . . 25333 1 11 no PDB 3B2H . "Iodide Derivative Of Human Lfabp At High Resolution" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 25333 1 12 no PDB 3B2I . "Iodide Derivative Of Human Lfabp" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 25333 1 13 no PDB 3B2J . "Iodide Derivative Of Human Lfabp" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 25333 1 14 no PDB 3B2K . "Iodide Derivative Of Human Lfabp" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 25333 1 15 no PDB 3B2L . "Iodide Derivative Of Human Lfabp" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 25333 1 16 no PDB 3STK . "Crystal Structure Of Human Lfabp Complex With Two Molecules Of Palmitic Acid (Holo-Lfabp)" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 25333 1 17 no PDB 3STM . "Structure Of Human Lfabp In Complex With One Molecule Of Palmitic Acid" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 25333 1 18 no PDB 3STN . "Structure Of Human Lfabp (Apo-Lfabp)" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 25333 1 19 no PDB 3VG2 . "Iodide Derivative Of Human Lfabp" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 25333 1 20 no PDB 3VG3 . "Cadmium Derivative Of Human Lfabp" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 25333 1 21 no PDB 3VG4 . "Cadmium Derivative Of Human Lfabp" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 25333 1 22 no PDB 3VG5 . "Barium Derivative Of Human Lfabp" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 25333 1 23 no PDB 3VG6 . "Barium Derivative Of Human Lfabp" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 25333 1 24 no PDB 3VG7 . "Structure Of Human Lfabp At High Resolution From S-sad" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 25333 1 25 no DBJ BAI46102 . "fatty acid binding protein 1, liver [synthetic construct]" . . . . . 94.07 127 99.21 99.21 2.19e-82 . . . . 25333 1 26 no EMBL CAG46887 . "FABP1 [Homo sapiens]" . . . . . 94.07 127 99.21 99.21 2.19e-82 . . . . 25333 1 27 no GB AAA52418 . "fatty acid binding protein [Homo sapiens]" . . . . . 94.07 127 100.00 100.00 3.39e-83 . . . . 25333 1 28 no GB AAA52419 . "L-FABP [Homo sapiens]" . . . . . 94.07 127 99.21 99.21 2.19e-82 . . . . 25333 1 29 no GB AAH22287 . "FABP1 protein, partial [Homo sapiens]" . . . . . 93.33 134 98.41 99.21 2.53e-81 . . . . 25333 1 30 no GB AAH32801 . "Fatty acid binding protein 1, liver [Homo sapiens]" . . . . . 94.07 127 99.21 99.21 2.19e-82 . . . . 25333 1 31 no GB AAX37108 . "fatty acid binding protein 1 [synthetic construct]" . . . . . 94.07 128 99.21 99.21 2.34e-82 . . . . 25333 1 32 no REF NP_001434 . "fatty acid-binding protein, liver [Homo sapiens]" . . . . . 94.07 127 99.21 99.21 2.19e-82 . . . . 25333 1 33 no REF XP_001140263 . "PREDICTED: fatty acid-binding protein, liver [Pan troglodytes]" . . . . . 94.07 127 99.21 99.21 2.19e-82 . . . . 25333 1 34 no REF XP_003268834 . "PREDICTED: fatty acid-binding protein, liver [Nomascus leucogenys]" . . . . . 94.07 127 97.64 98.43 6.98e-81 . . . . 25333 1 35 no REF XP_003805902 . "PREDICTED: fatty acid-binding protein, liver [Pan paniscus]" . . . . . 94.07 127 99.21 99.21 2.19e-82 . . . . 25333 1 36 no REF XP_004029642 . "PREDICTED: fatty acid-binding protein, liver [Gorilla gorilla gorilla]" . . . . . 94.07 127 98.43 99.21 5.49e-82 . . . . 25333 1 37 no SP P07148 . "RecName: Full=Fatty acid-binding protein, liver; AltName: Full=Fatty acid-binding protein 1; AltName: Full=Liver-type fatty aci" . . . . . 94.07 127 99.21 99.21 2.19e-82 . . . . 25333 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 -3 MET . 25333 1 2 -2 ARG . 25333 1 3 -1 GLY . 25333 1 4 0 SER . 25333 1 5 1 MET . 25333 1 6 2 SER . 25333 1 7 3 PHE . 25333 1 8 4 SER . 25333 1 9 5 GLY . 25333 1 10 6 LYS . 25333 1 11 7 TYR . 25333 1 12 8 GLN . 25333 1 13 9 LEU . 25333 1 14 10 GLN . 25333 1 15 11 SER . 25333 1 16 12 GLN . 25333 1 17 13 GLU . 25333 1 18 14 ASN . 25333 1 19 15 PHE . 25333 1 20 16 GLU . 25333 1 21 17 ALA . 25333 1 22 18 PHE . 25333 1 23 19 MET . 25333 1 24 20 LYS . 25333 1 25 21 ALA . 25333 1 26 22 ILE . 25333 1 27 23 GLY . 25333 1 28 24 LEU . 25333 1 29 25 PRO . 25333 1 30 26 GLU . 25333 1 31 27 GLU . 25333 1 32 28 LEU . 25333 1 33 29 ILE . 25333 1 34 30 GLN . 25333 1 35 31 LYS . 25333 1 36 32 GLY . 25333 1 37 33 LYS . 25333 1 38 34 ASP . 25333 1 39 35 ILE . 25333 1 40 36 LYS . 25333 1 41 37 GLY . 25333 1 42 38 VAL . 25333 1 43 39 SER . 25333 1 44 40 GLU . 25333 1 45 41 ILE . 25333 1 46 42 VAL . 25333 1 47 43 GLN . 25333 1 48 44 ASN . 25333 1 49 45 GLY . 25333 1 50 46 LYS . 25333 1 51 47 HIS . 25333 1 52 48 PHE . 25333 1 53 49 LYS . 25333 1 54 50 PHE . 25333 1 55 51 THR . 25333 1 56 52 ILE . 25333 1 57 53 THR . 25333 1 58 54 ALA . 25333 1 59 55 GLY . 25333 1 60 56 SER . 25333 1 61 57 LYS . 25333 1 62 58 VAL . 25333 1 63 59 ILE . 25333 1 64 60 GLN . 25333 1 65 61 ASN . 25333 1 66 62 GLU . 25333 1 67 63 PHE . 25333 1 68 64 THR . 25333 1 69 65 VAL . 25333 1 70 66 GLY . 25333 1 71 67 GLU . 25333 1 72 68 GLU . 25333 1 73 69 CYS . 25333 1 74 70 GLU . 25333 1 75 71 LEU . 25333 1 76 72 GLU . 25333 1 77 73 THR . 25333 1 78 74 MET . 25333 1 79 75 THR . 25333 1 80 76 GLY . 25333 1 81 77 GLU . 25333 1 82 78 LYS . 25333 1 83 79 VAL . 25333 1 84 80 LYS . 25333 1 85 81 THR . 25333 1 86 82 VAL . 25333 1 87 83 VAL . 25333 1 88 84 GLN . 25333 1 89 85 LEU . 25333 1 90 86 GLU . 25333 1 91 87 GLY . 25333 1 92 88 ASP . 25333 1 93 89 ASN . 25333 1 94 90 LYS . 25333 1 95 91 LEU . 25333 1 96 92 VAL . 25333 1 97 93 THR . 25333 1 98 94 ALA . 25333 1 99 95 PHE . 25333 1 100 96 LYS . 25333 1 101 97 ASN . 25333 1 102 98 ILE . 25333 1 103 99 LYS . 25333 1 104 100 SER . 25333 1 105 101 VAL . 25333 1 106 102 THR . 25333 1 107 103 GLU . 25333 1 108 104 LEU . 25333 1 109 105 ASN . 25333 1 110 106 GLY . 25333 1 111 107 ASP . 25333 1 112 108 ILE . 25333 1 113 109 ILE . 25333 1 114 110 THR . 25333 1 115 111 ASN . 25333 1 116 112 THR . 25333 1 117 113 MET . 25333 1 118 114 THR . 25333 1 119 115 LEU . 25333 1 120 116 GLY . 25333 1 121 117 ASP . 25333 1 122 118 ILE . 25333 1 123 119 VAL . 25333 1 124 120 PHE . 25333 1 125 121 LYS . 25333 1 126 122 ARG . 25333 1 127 123 ILE . 25333 1 128 124 SER . 25333 1 129 125 LYS . 25333 1 130 126 ARG . 25333 1 131 127 ILE . 25333 1 132 128 LEU . 25333 1 133 129 VAL . 25333 1 134 130 PRO . 25333 1 135 131 ARG . 25333 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25333 1 . ARG 2 2 25333 1 . GLY 3 3 25333 1 . SER 4 4 25333 1 . MET 5 5 25333 1 . SER 6 6 25333 1 . PHE 7 7 25333 1 . SER 8 8 25333 1 . GLY 9 9 25333 1 . LYS 10 10 25333 1 . TYR 11 11 25333 1 . GLN 12 12 25333 1 . LEU 13 13 25333 1 . GLN 14 14 25333 1 . SER 15 15 25333 1 . GLN 16 16 25333 1 . GLU 17 17 25333 1 . ASN 18 18 25333 1 . PHE 19 19 25333 1 . GLU 20 20 25333 1 . ALA 21 21 25333 1 . PHE 22 22 25333 1 . MET 23 23 25333 1 . LYS 24 24 25333 1 . ALA 25 25 25333 1 . ILE 26 26 25333 1 . GLY 27 27 25333 1 . LEU 28 28 25333 1 . PRO 29 29 25333 1 . GLU 30 30 25333 1 . GLU 31 31 25333 1 . LEU 32 32 25333 1 . ILE 33 33 25333 1 . GLN 34 34 25333 1 . LYS 35 35 25333 1 . GLY 36 36 25333 1 . LYS 37 37 25333 1 . ASP 38 38 25333 1 . ILE 39 39 25333 1 . LYS 40 40 25333 1 . GLY 41 41 25333 1 . VAL 42 42 25333 1 . SER 43 43 25333 1 . GLU 44 44 25333 1 . ILE 45 45 25333 1 . VAL 46 46 25333 1 . GLN 47 47 25333 1 . ASN 48 48 25333 1 . GLY 49 49 25333 1 . LYS 50 50 25333 1 . HIS 51 51 25333 1 . PHE 52 52 25333 1 . LYS 53 53 25333 1 . PHE 54 54 25333 1 . THR 55 55 25333 1 . ILE 56 56 25333 1 . THR 57 57 25333 1 . ALA 58 58 25333 1 . GLY 59 59 25333 1 . SER 60 60 25333 1 . LYS 61 61 25333 1 . VAL 62 62 25333 1 . ILE 63 63 25333 1 . GLN 64 64 25333 1 . ASN 65 65 25333 1 . GLU 66 66 25333 1 . PHE 67 67 25333 1 . THR 68 68 25333 1 . VAL 69 69 25333 1 . GLY 70 70 25333 1 . GLU 71 71 25333 1 . GLU 72 72 25333 1 . CYS 73 73 25333 1 . GLU 74 74 25333 1 . LEU 75 75 25333 1 . GLU 76 76 25333 1 . THR 77 77 25333 1 . MET 78 78 25333 1 . THR 79 79 25333 1 . GLY 80 80 25333 1 . GLU 81 81 25333 1 . LYS 82 82 25333 1 . VAL 83 83 25333 1 . LYS 84 84 25333 1 . THR 85 85 25333 1 . VAL 86 86 25333 1 . VAL 87 87 25333 1 . GLN 88 88 25333 1 . LEU 89 89 25333 1 . GLU 90 90 25333 1 . GLY 91 91 25333 1 . ASP 92 92 25333 1 . ASN 93 93 25333 1 . LYS 94 94 25333 1 . LEU 95 95 25333 1 . VAL 96 96 25333 1 . THR 97 97 25333 1 . ALA 98 98 25333 1 . PHE 99 99 25333 1 . LYS 100 100 25333 1 . ASN 101 101 25333 1 . ILE 102 102 25333 1 . LYS 103 103 25333 1 . SER 104 104 25333 1 . VAL 105 105 25333 1 . THR 106 106 25333 1 . GLU 107 107 25333 1 . LEU 108 108 25333 1 . ASN 109 109 25333 1 . GLY 110 110 25333 1 . ASP 111 111 25333 1 . ILE 112 112 25333 1 . ILE 113 113 25333 1 . THR 114 114 25333 1 . ASN 115 115 25333 1 . THR 116 116 25333 1 . MET 117 117 25333 1 . THR 118 118 25333 1 . LEU 119 119 25333 1 . GLY 120 120 25333 1 . ASP 121 121 25333 1 . ILE 122 122 25333 1 . VAL 123 123 25333 1 . PHE 124 124 25333 1 . LYS 125 125 25333 1 . ARG 126 126 25333 1 . ILE 127 127 25333 1 . SER 128 128 25333 1 . LYS 129 129 25333 1 . ARG 130 130 25333 1 . ILE 131 131 25333 1 . LEU 132 132 25333 1 . VAL 133 133 25333 1 . PRO 134 134 25333 1 . ARG 135 135 25333 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25333 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $hL-FABP . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25333 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 25333 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $hL-FABP . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pQE50 . . . 25333 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25333 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'human liver fatty acid binding protein' '[U-100% 13C; U-100% 15N]' . . 1 $hL-FABP . protein 0.5 . . mM . . . . 25333 1 2 'TAUROCHOLIC ACID' 'natural abundant' . . . . . . 7.5 . . mM . . . . 25333 1 3 'sodium phosphate' 'natural abundant' . . . . . buffer 10 . . mM . . . . 25333 1 4 H2O 'natural abundant' . . . . . solvent 93 . . % . . . . 25333 1 5 D2O [U-2H] . . . . . solvent 7 . . % . . . . 25333 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25333 _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' 10 . mM 25333 1 pH 6.5 . pH 25333 1 pressure 1 . atm 25333 1 temperature 298 . K 25333 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25333 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25333 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25333 1 'data analysis' 25333 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 25333 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 25333 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'with Cryo probe' . . 25333 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 25333 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25333 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25333 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25333 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 25333 _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 TSP protons . . . . ppm 0 external indirect 0.251449530 . . . . . . . . . 25333 1 H 1 TSP protons . . . . ppm 0 external direct 1 . . . . . . . . . 25333 1 N 15 TSP protons . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 25333 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25333 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 25333 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 25333 1 3 '3D HNCACB' 1 $sample_1 isotropic 25333 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ARG CA C 13 53.769 0.3 . 1 . . . . -2 R CA . 25333 1 2 . 1 1 2 2 ARG CB C 13 28.054 0.3 . 1 . . . . -2 R CB . 25333 1 3 . 1 1 3 3 GLY H H 1 8.529 0.02 . 1 . . . . -1 G HN . 25333 1 4 . 1 1 3 3 GLY CA C 13 42.431 0.3 . 1 . . . . -1 G CA . 25333 1 5 . 1 1 3 3 GLY N N 15 111.043 0.2 . 1 . . . . -1 G N . 25333 1 6 . 1 1 4 4 SER H H 1 8.187 0.02 . 1 . . . . 0 S HN . 25333 1 7 . 1 1 4 4 SER CA C 13 55.815 0.3 . 1 . . . . 0 S CA . 25333 1 8 . 1 1 4 4 SER CB C 13 61.336 0.3 . 1 . . . . 0 S CB . 25333 1 9 . 1 1 4 4 SER N N 15 115.43 0.2 . 1 . . . . 0 S N . 25333 1 10 . 1 1 5 5 MET H H 1 8.446 0.02 . 1 . . . . 1 M HN . 25333 1 11 . 1 1 5 5 MET CA C 13 52.538 0.3 . 1 . . . . 1 M CA . 25333 1 12 . 1 1 5 5 MET CB C 13 30.329 0.3 . 1 . . . . 1 M CB . 25333 1 13 . 1 1 5 5 MET N N 15 122.219 0.2 . 1 . . . . 1 M N . 25333 1 14 . 1 1 6 6 SER H H 1 8.111 0.02 . 1 . . . . 2 S HN . 25333 1 15 . 1 1 6 6 SER CA C 13 54.808 0.3 . 1 . . . . 2 S CA . 25333 1 16 . 1 1 6 6 SER CB C 13 61.685 0.3 . 1 . . . . 2 S CB . 25333 1 17 . 1 1 6 6 SER N N 15 116.678 0.2 . 1 . . . . 2 S N . 25333 1 18 . 1 1 7 7 PHE H H 1 9.597 0.02 . 1 . . . . 3 F HN . 25333 1 19 . 1 1 7 7 PHE CA C 13 57.234 0.3 . 1 . . . . 3 F CA . 25333 1 20 . 1 1 7 7 PHE CB C 13 38.118 0.3 . 1 . . . . 3 F CB . 25333 1 21 . 1 1 7 7 PHE N N 15 122.035 0.2 . 1 . . . . 3 F N . 25333 1 22 . 1 1 8 8 SER H H 1 8.318 0.02 . 1 . . . . 4 S HN . 25333 1 23 . 1 1 8 8 SER CA C 13 57.536 0.3 . 1 . . . . 4 S CA . 25333 1 24 . 1 1 8 8 SER CB C 13 61.107 0.3 . 1 . . . . 4 S CB . 25333 1 25 . 1 1 8 8 SER N N 15 116.296 0.2 . 1 . . . . 4 S N . 25333 1 26 . 1 1 9 9 GLY H H 1 8.857 0.02 . 1 . . . . 5 G HN . 25333 1 27 . 1 1 9 9 GLY CA C 13 42.176 0.3 . 1 . . . . 5 G CA . 25333 1 28 . 1 1 9 9 GLY N N 15 110.946 0.2 . 1 . . . . 5 G N . 25333 1 29 . 1 1 10 10 LYS H H 1 8.045 0.02 . 1 . . . . 6 K HN . 25333 1 30 . 1 1 10 10 LYS CA C 13 52.954 0.3 . 1 . . . . 6 K CA . 25333 1 31 . 1 1 10 10 LYS CB C 13 32.334 0.3 . 1 . . . . 6 K CB . 25333 1 32 . 1 1 10 10 LYS N N 15 119.898 0.2 . 1 . . . . 6 K N . 25333 1 33 . 1 1 11 11 TYR H H 1 9.228 0.02 . 1 . . . . 7 Y HN . 25333 1 34 . 1 1 11 11 TYR CA C 13 53.889 0.3 . 1 . . . . 7 Y CA . 25333 1 35 . 1 1 11 11 TYR CB C 13 39.144 0.3 . 1 . . . . 7 Y CB . 25333 1 36 . 1 1 11 11 TYR N N 15 120.901 0.2 . 1 . . . . 7 Y N . 25333 1 37 . 1 1 12 12 GLN H H 1 8.957 0.02 . 1 . . . . 8 Q HN . 25333 1 38 . 1 1 12 12 GLN CA C 13 51.454 0.3 . 1 . . . . 8 Q CA . 25333 1 39 . 1 1 12 12 GLN CB C 13 29.125 0.3 . 1 . . . . 8 Q CB . 25333 1 40 . 1 1 12 12 GLN N N 15 123.016 0.2 . 1 . . . . 8 Q N . 25333 1 41 . 1 1 13 13 LEU H H 1 8.552 0.02 . 1 . . . . 9 L HN . 25333 1 42 . 1 1 13 13 LEU CA C 13 54.681 0.3 . 1 . . . . 9 L CA . 25333 1 43 . 1 1 13 13 LEU CB C 13 39.832 0.3 . 1 . . . . 9 L CB . 25333 1 44 . 1 1 13 13 LEU N N 15 131.529 0.2 . 1 . . . . 9 L N . 25333 1 45 . 1 1 14 14 GLN H H 1 9.993 0.02 . 1 . . . . 10 Q HN . 25333 1 46 . 1 1 14 14 GLN CA C 13 53.701 0.3 . 1 . . . . 10 Q CA . 25333 1 47 . 1 1 14 14 GLN CB C 13 29.12 0.3 . 1 . . . . 10 Q CB . 25333 1 48 . 1 1 14 14 GLN N N 15 125.815 0.2 . 1 . . . . 10 Q N . 25333 1 49 . 1 1 15 15 SER H H 1 7.966 0.02 . 1 . . . . 11 S HN . 25333 1 50 . 1 1 15 15 SER CA C 13 55.117 0.3 . 1 . . . . 11 S CA . 25333 1 51 . 1 1 15 15 SER CB C 13 62.368 0.3 . 1 . . . . 11 S CB . 25333 1 52 . 1 1 15 15 SER N N 15 110.761 0.2 . 1 . . . . 11 S N . 25333 1 53 . 1 1 16 16 GLN H H 1 8.554 0.02 . 1 . . . . 12 Q HN . 25333 1 54 . 1 1 16 16 GLN CA C 13 51.626 0.3 . 1 . . . . 12 Q CA . 25333 1 55 . 1 1 16 16 GLN CB C 13 30.05 0.3 . 1 . . . . 12 Q CB . 25333 1 56 . 1 1 16 16 GLN N N 15 116.045 0.2 . 1 . . . . 12 Q N . 25333 1 57 . 1 1 17 17 GLU H H 1 9.061 0.02 . 1 . . . . 13 E HN . 25333 1 58 . 1 1 17 17 GLU CA C 13 52.619 0.3 . 1 . . . . 13 E CA . 25333 1 59 . 1 1 17 17 GLU CB C 13 30.943 0.3 . 1 . . . . 13 E CB . 25333 1 60 . 1 1 17 17 GLU N N 15 121.142 0.2 . 1 . . . . 13 E N . 25333 1 61 . 1 1 18 18 ASN H H 1 9.236 0.02 . 1 . . . . 14 N HN . 25333 1 62 . 1 1 18 18 ASN CA C 13 51.777 0.3 . 1 . . . . 14 N CA . 25333 1 63 . 1 1 18 18 ASN CB C 13 33.754 0.3 . 1 . . . . 14 N CB . 25333 1 64 . 1 1 18 18 ASN N N 15 118.089 0.2 . 1 . . . . 14 N N . 25333 1 65 . 1 1 19 19 PHE H H 1 8.337 0.02 . 1 . . . . 15 F HN . 25333 1 66 . 1 1 19 19 PHE CA C 13 59.126 0.3 . 1 . . . . 15 F CA . 25333 1 67 . 1 1 19 19 PHE CB C 13 37.373 0.3 . 1 . . . . 15 F CB . 25333 1 68 . 1 1 19 19 PHE N N 15 117.975 0.2 . 1 . . . . 15 F N . 25333 1 69 . 1 1 20 20 GLU H H 1 9.473 0.02 . 1 . . . . 16 E HN . 25333 1 70 . 1 1 20 20 GLU CA C 13 58.802 0.3 . 1 . . . . 16 E CA . 25333 1 71 . 1 1 20 20 GLU CB C 13 25.755 0.3 . 1 . . . . 16 E CB . 25333 1 72 . 1 1 20 20 GLU N N 15 118.612 0.2 . 1 . . . . 16 E N . 25333 1 73 . 1 1 21 21 ALA H H 1 8.192 0.02 . 1 . . . . 17 A HN . 25333 1 74 . 1 1 21 21 ALA CA C 13 52.102 0.3 . 1 . . . . 17 A CA . 25333 1 75 . 1 1 21 21 ALA CB C 13 15.628 0.3 . 1 . . . . 17 A CB . 25333 1 76 . 1 1 21 21 ALA N N 15 119.488 0.2 . 1 . . . . 17 A N . 25333 1 77 . 1 1 22 22 PHE H H 1 7.676 0.02 . 1 . . . . 18 F HN . 25333 1 78 . 1 1 22 22 PHE CA C 13 59.495 0.3 . 1 . . . . 18 F CA . 25333 1 79 . 1 1 22 22 PHE CB C 13 37.201 0.3 . 1 . . . . 18 F CB . 25333 1 80 . 1 1 22 22 PHE N N 15 118.626 0.2 . 1 . . . . 18 F N . 25333 1 81 . 1 1 23 23 MET H H 1 7.994 0.02 . 1 . . . . 19 M HN . 25333 1 82 . 1 1 23 23 MET CA C 13 53.656 0.3 . 1 . . . . 19 M CA . 25333 1 83 . 1 1 23 23 MET CB C 13 29.065 0.3 . 1 . . . . 19 M CB . 25333 1 84 . 1 1 23 23 MET N N 15 114.917 0.2 . 1 . . . . 19 M N . 25333 1 85 . 1 1 24 24 LYS H H 1 8.01 0.02 . 1 . . . . 20 K HN . 25333 1 86 . 1 1 24 24 LYS CA C 13 56.32 0.3 . 1 . . . . 20 K CA . 25333 1 87 . 1 1 24 24 LYS CB C 13 29.558 0.3 . 1 . . . . 20 K CB . 25333 1 88 . 1 1 24 24 LYS N N 15 118.374 0.2 . 1 . . . . 20 K N . 25333 1 89 . 1 1 25 25 ALA H H 1 7.464 0.02 . 1 . . . . 21 A HN . 25333 1 90 . 1 1 25 25 ALA CA C 13 52.099 0.3 . 1 . . . . 21 A CA . 25333 1 91 . 1 1 25 25 ALA CB C 13 15.617 0.3 . 1 . . . . 21 A CB . 25333 1 92 . 1 1 25 25 ALA N N 15 123.023 0.2 . 1 . . . . 21 A N . 25333 1 93 . 1 1 26 26 ILE H H 1 7.278 0.02 . 1 . . . . 22 I HN . 25333 1 94 . 1 1 26 26 ILE CA C 13 59.09 0.3 . 1 . . . . 22 I CA . 25333 1 95 . 1 1 26 26 ILE CB C 13 35.027 0.3 . 1 . . . . 22 I CB . 25333 1 96 . 1 1 26 26 ILE N N 15 110.698 0.2 . 1 . . . . 22 I N . 25333 1 97 . 1 1 27 27 GLY H H 1 7.375 0.02 . 1 . . . . 23 G HN . 25333 1 98 . 1 1 27 27 GLY CA C 13 43.052 0.3 . 1 . . . . 23 G CA . 25333 1 99 . 1 1 27 27 GLY N N 15 108.37 0.2 . 1 . . . . 23 G N . 25333 1 100 . 1 1 28 28 LEU H H 1 7.558 0.02 . 1 . . . . 24 L HN . 25333 1 101 . 1 1 28 28 LEU CA C 13 50.701 0.3 . 1 . . . . 24 L CA . 25333 1 102 . 1 1 28 28 LEU CB C 13 38.896 0.3 . 1 . . . . 24 L CB . 25333 1 103 . 1 1 28 28 LEU N N 15 122.94 0.2 . 1 . . . . 24 L N . 25333 1 104 . 1 1 29 29 PRO CA C 13 59.962 0.3 . 1 . . . . 25 P CA . 25333 1 105 . 1 1 29 29 PRO CB C 13 30.107 0.3 . 1 . . . . 25 P CB . 25333 1 106 . 1 1 30 30 GLU H H 1 8.716 0.02 . 1 . . . . 26 E HN . 25333 1 107 . 1 1 30 30 GLU CA C 13 57.169 0.3 . 1 . . . . 26 E CA . 25333 1 108 . 1 1 30 30 GLU CB C 13 26.859 0.3 . 1 . . . . 26 E CB . 25333 1 109 . 1 1 30 30 GLU N N 15 123.345 0.2 . 1 . . . . 26 E N . 25333 1 110 . 1 1 31 31 GLU H H 1 9.238 0.02 . 1 . . . . 27 E HN . 25333 1 111 . 1 1 31 31 GLU CA C 13 56.102 0.3 . 1 . . . . 27 E CA . 25333 1 112 . 1 1 31 31 GLU CB C 13 26.363 0.3 . 1 . . . . 27 E CB . 25333 1 113 . 1 1 31 31 GLU N N 15 117.363 0.2 . 1 . . . . 27 E N . 25333 1 114 . 1 1 32 32 LEU H H 1 7.14 0.02 . 1 . . . . 28 L HN . 25333 1 115 . 1 1 32 32 LEU CA C 13 54.204 0.3 . 1 . . . . 28 L CA . 25333 1 116 . 1 1 32 32 LEU CB C 13 39.028 0.3 . 1 . . . . 28 L CB . 25333 1 117 . 1 1 32 32 LEU N N 15 117.313 0.2 . 1 . . . . 28 L N . 25333 1 118 . 1 1 33 33 ILE H H 1 7.581 0.02 . 1 . . . . 29 I HN . 25333 1 119 . 1 1 33 33 ILE CA C 13 63.483 0.3 . 1 . . . . 29 I CA . 25333 1 120 . 1 1 33 33 ILE CB C 13 34.843 0.3 . 1 . . . . 29 I CB . 25333 1 121 . 1 1 33 33 ILE N N 15 121.363 0.2 . 1 . . . . 29 I N . 25333 1 122 . 1 1 34 34 GLN H H 1 8.103 0.02 . 1 . . . . 30 Q HN . 25333 1 123 . 1 1 34 34 GLN CA C 13 55.905 0.3 . 1 . . . . 30 Q CA . 25333 1 124 . 1 1 34 34 GLN CB C 13 25.215 0.3 . 1 . . . . 30 Q CB . 25333 1 125 . 1 1 34 34 GLN N N 15 116.092 0.2 . 1 . . . . 30 Q N . 25333 1 126 . 1 1 35 35 LYS H H 1 7.427 0.02 . 1 . . . . 31 K HN . 25333 1 127 . 1 1 35 35 LYS CA C 13 55.751 0.3 . 1 . . . . 31 K CA . 25333 1 128 . 1 1 35 35 LYS CB C 13 30.469 0.3 . 1 . . . . 31 K CB . 25333 1 129 . 1 1 35 35 LYS N N 15 116.087 0.2 . 1 . . . . 31 K N . 25333 1 130 . 1 1 36 36 GLY H H 1 8.055 0.02 . 1 . . . . 32 G HN . 25333 1 131 . 1 1 36 36 GLY CA C 13 43.518 0.3 . 1 . . . . 32 G CA . 25333 1 132 . 1 1 36 36 GLY N N 15 104.909 0.2 . 1 . . . . 32 G N . 25333 1 133 . 1 1 37 37 LYS H H 1 7.44 0.02 . 1 . . . . 33 K HN . 25333 1 134 . 1 1 37 37 LYS CA C 13 56.148 0.3 . 1 . . . . 33 K CA . 25333 1 135 . 1 1 37 37 LYS CB C 13 29.512 0.3 . 1 . . . . 33 K CB . 25333 1 136 . 1 1 37 37 LYS N N 15 119.461 0.2 . 1 . . . . 33 K N . 25333 1 137 . 1 1 38 38 ASP H H 1 7.598 0.02 . 1 . . . . 34 D HN . 25333 1 138 . 1 1 38 38 ASP CA C 13 51.568 0.3 . 1 . . . . 34 D CA . 25333 1 139 . 1 1 38 38 ASP CB C 13 38.872 0.3 . 1 . . . . 34 D CB . 25333 1 140 . 1 1 38 38 ASP N N 15 116.963 0.2 . 1 . . . . 34 D N . 25333 1 141 . 1 1 39 39 ILE H H 1 7.138 0.02 . 1 . . . . 35 I HN . 25333 1 142 . 1 1 39 39 ILE CA C 13 56.095 0.3 . 1 . . . . 35 I CA . 25333 1 143 . 1 1 39 39 ILE CB C 13 33.038 0.3 . 1 . . . . 35 I CB . 25333 1 144 . 1 1 39 39 ILE N N 15 119.588 0.2 . 1 . . . . 35 I N . 25333 1 145 . 1 1 40 40 LYS H H 1 8.514 0.02 . 1 . . . . 36 K HN . 25333 1 146 . 1 1 40 40 LYS CA C 13 52.461 0.3 . 1 . . . . 36 K CA . 25333 1 147 . 1 1 40 40 LYS CB C 13 29.371 0.3 . 1 . . . . 36 K CB . 25333 1 148 . 1 1 40 40 LYS N N 15 128.2 0.2 . 1 . . . . 36 K N . 25333 1 149 . 1 1 41 41 GLY H H 1 7.871 0.02 . 1 . . . . 37 G HN . 25333 1 150 . 1 1 41 41 GLY CA C 13 42.769 0.3 . 1 . . . . 37 G CA . 25333 1 151 . 1 1 41 41 GLY N N 15 111.06 0.2 . 1 . . . . 37 G N . 25333 1 152 . 1 1 42 42 VAL H H 1 8.212 0.02 . 1 . . . . 38 V HN . 25333 1 153 . 1 1 42 42 VAL CA C 13 58.102 0.3 . 1 . . . . 38 V CA . 25333 1 154 . 1 1 42 42 VAL CB C 13 32.892 0.3 . 1 . . . . 38 V CB . 25333 1 155 . 1 1 42 42 VAL N N 15 120.21 0.2 . 1 . . . . 38 V N . 25333 1 156 . 1 1 43 43 SER H H 1 9.04 0.02 . 1 . . . . 39 S HN . 25333 1 157 . 1 1 43 43 SER CA C 13 54.183 0.3 . 1 . . . . 39 S CA . 25333 1 158 . 1 1 43 43 SER CB C 13 63.113 0.3 . 1 . . . . 39 S CB . 25333 1 159 . 1 1 43 43 SER N N 15 120.218 0.2 . 1 . . . . 39 S N . 25333 1 160 . 1 1 44 44 GLU H H 1 9.275 0.02 . 1 . . . . 40 E HN . 25333 1 161 . 1 1 44 44 GLU CA C 13 52.339 0.3 . 1 . . . . 40 E CA . 25333 1 162 . 1 1 44 44 GLU CB C 13 29.579 0.3 . 1 . . . . 40 E CB . 25333 1 163 . 1 1 44 44 GLU N N 15 125.938 0.2 . 1 . . . . 40 E N . 25333 1 164 . 1 1 45 45 ILE H H 1 9.46 0.02 . 1 . . . . 41 I HN . 25333 1 165 . 1 1 45 45 ILE CA C 13 57.56 0.3 . 1 . . . . 41 I CA . 25333 1 166 . 1 1 45 45 ILE CB C 13 37.159 0.3 . 1 . . . . 41 I CB . 25333 1 167 . 1 1 45 45 ILE N N 15 126.106 0.2 . 1 . . . . 41 I N . 25333 1 168 . 1 1 46 46 VAL H H 1 8.952 0.02 . 1 . . . . 42 V HN . 25333 1 169 . 1 1 46 46 VAL CA C 13 59.729 0.3 . 1 . . . . 42 V CA . 25333 1 170 . 1 1 46 46 VAL CB C 13 31.318 0.3 . 1 . . . . 42 V CB . 25333 1 171 . 1 1 46 46 VAL N N 15 128.49 0.2 . 1 . . . . 42 V N . 25333 1 172 . 1 1 47 47 GLN H H 1 8.471 0.02 . 1 . . . . 43 Q HN . 25333 1 173 . 1 1 47 47 GLN CA C 13 50.953 0.3 . 1 . . . . 43 Q CA . 25333 1 174 . 1 1 47 47 GLN CB C 13 27.048 0.3 . 1 . . . . 43 Q CB . 25333 1 175 . 1 1 47 47 GLN N N 15 131.211 0.2 . 1 . . . . 43 Q N . 25333 1 176 . 1 1 48 48 ASN H H 1 8.951 0.02 . 1 . . . . 44 N HN . 25333 1 177 . 1 1 48 48 ASN CA C 13 49.297 0.3 . 1 . . . . 44 N CA . 25333 1 178 . 1 1 48 48 ASN CB C 13 36.876 0.3 . 1 . . . . 44 N CB . 25333 1 179 . 1 1 48 48 ASN N N 15 127.257 0.2 . 1 . . . . 44 N N . 25333 1 180 . 1 1 49 49 GLY H H 1 9.112 0.02 . 1 . . . . 45 G HN . 25333 1 181 . 1 1 49 49 GLY CA C 13 44.844 0.3 . 1 . . . . 45 G CA . 25333 1 182 . 1 1 49 49 GLY N N 15 115.78 0.2 . 1 . . . . 45 G N . 25333 1 183 . 1 1 50 50 LYS H H 1 8.689 0.02 . 1 . . . . 46 K HN . 25333 1 184 . 1 1 50 50 LYS CA C 13 53.984 0.3 . 1 . . . . 46 K CA . 25333 1 185 . 1 1 50 50 LYS CB C 13 30.191 0.3 . 1 . . . . 46 K CB . 25333 1 186 . 1 1 50 50 LYS N N 15 125.933 0.2 . 1 . . . . 46 K N . 25333 1 187 . 1 1 51 51 HIS H H 1 7.952 0.02 . 1 . . . . 47 H HN . 25333 1 188 . 1 1 51 51 HIS CA C 13 53.465 0.3 . 1 . . . . 47 H CA . 25333 1 189 . 1 1 51 51 HIS CB C 13 34.93 0.3 . 1 . . . . 47 H CB . 25333 1 190 . 1 1 51 51 HIS N N 15 120.037 0.2 . 1 . . . . 47 H N . 25333 1 191 . 1 1 52 52 PHE H H 1 8.702 0.02 . 1 . . . . 48 F HN . 25333 1 192 . 1 1 52 52 PHE CA C 13 54.133 0.3 . 1 . . . . 48 F CA . 25333 1 193 . 1 1 52 52 PHE CB C 13 40.948 0.3 . 1 . . . . 48 F CB . 25333 1 194 . 1 1 52 52 PHE N N 15 124.994 0.2 . 1 . . . . 48 F N . 25333 1 195 . 1 1 53 53 LYS H H 1 8.132 0.02 . 1 . . . . 49 K HN . 25333 1 196 . 1 1 53 53 LYS CA C 13 53.553 0.3 . 1 . . . . 49 K CA . 25333 1 197 . 1 1 53 53 LYS CB C 13 32.984 0.3 . 1 . . . . 49 K CB . 25333 1 198 . 1 1 53 53 LYS N N 15 119.088 0.2 . 1 . . . . 49 K N . 25333 1 199 . 1 1 54 54 PHE H H 1 9.405 0.02 . 1 . . . . 50 F HN . 25333 1 200 . 1 1 54 54 PHE CB C 13 41.318 0.3 . 1 . . . . 50 F CB . 25333 1 201 . 1 1 54 54 PHE N N 15 125.355 0.2 . 1 . . . . 50 F N . 25333 1 202 . 1 1 55 55 THR H H 1 9.259 0.02 . 1 . . . . 51 T HN . 25333 1 203 . 1 1 55 55 THR CA C 13 59.937 0.3 . 1 . . . . 51 T CA . 25333 1 204 . 1 1 55 55 THR CB C 13 67.389 0.3 . 1 . . . . 51 T CB . 25333 1 205 . 1 1 55 55 THR N N 15 120.742 0.2 . 1 . . . . 51 T N . 25333 1 206 . 1 1 56 56 ILE H H 1 9.378 0.02 . 1 . . . . 52 I HN . 25333 1 207 . 1 1 56 56 ILE CA C 13 57.662 0.3 . 1 . . . . 52 I CA . 25333 1 208 . 1 1 56 56 ILE CB C 13 37.82 0.3 . 1 . . . . 52 I CB . 25333 1 209 . 1 1 56 56 ILE N N 15 130.438 0.2 . 1 . . . . 52 I N . 25333 1 210 . 1 1 57 57 THR H H 1 8.82 0.02 . 1 . . . . 53 T HN . 25333 1 211 . 1 1 57 57 THR CA C 13 61.877 0.3 . 1 . . . . 53 T CA . 25333 1 212 . 1 1 57 57 THR CB C 13 67.44 0.3 . 1 . . . . 53 T CB . 25333 1 213 . 1 1 57 57 THR N N 15 122.369 0.2 . 1 . . . . 53 T N . 25333 1 214 . 1 1 58 58 ALA H H 1 8.934 0.02 . 1 . . . . 54 A HN . 25333 1 215 . 1 1 58 58 ALA CA C 13 48.335 0.3 . 1 . . . . 54 A CA . 25333 1 216 . 1 1 58 58 ALA CB C 13 17.291 0.3 . 1 . . . . 54 A CB . 25333 1 217 . 1 1 58 58 ALA N N 15 130.69 0.2 . 1 . . . . 54 A N . 25333 1 218 . 1 1 59 59 GLY H H 1 8.903 0.02 . 1 . . . . 55 G HN . 25333 1 219 . 1 1 59 59 GLY CA C 13 44.279 0.3 . 1 . . . . 55 G CA . 25333 1 220 . 1 1 59 59 GLY N N 15 114.96 0.2 . 1 . . . . 55 G N . 25333 1 221 . 1 1 60 60 SER H H 1 8.675 0.02 . 1 . . . . 56 S HN . 25333 1 222 . 1 1 60 60 SER CA C 13 55.96 0.3 . 1 . . . . 56 S CA . 25333 1 223 . 1 1 60 60 SER CB C 13 60.961 0.3 . 1 . . . . 56 S CB . 25333 1 224 . 1 1 60 60 SER N N 15 121.446 0.2 . 1 . . . . 56 S N . 25333 1 225 . 1 1 61 61 LYS H H 1 7.818 0.02 . 1 . . . . 57 K HN . 25333 1 226 . 1 1 61 61 LYS CA C 13 52.992 0.3 . 1 . . . . 57 K CA . 25333 1 227 . 1 1 61 61 LYS CB C 13 31.338 0.3 . 1 . . . . 57 K CB . 25333 1 228 . 1 1 61 61 LYS N N 15 124.162 0.2 . 1 . . . . 57 K N . 25333 1 229 . 1 1 62 62 VAL H H 1 8.252 0.02 . 1 . . . . 58 V HN . 25333 1 230 . 1 1 62 62 VAL CA C 13 58.397 0.3 . 1 . . . . 58 V CA . 25333 1 231 . 1 1 62 62 VAL CB C 13 31.356 0.3 . 1 . . . . 58 V CB . 25333 1 232 . 1 1 62 62 VAL N N 15 125.639 0.2 . 1 . . . . 58 V N . 25333 1 233 . 1 1 63 63 ILE H H 1 9.038 0.02 . 1 . . . . 59 I HN . 25333 1 234 . 1 1 63 63 ILE CA C 13 57.085 0.3 . 1 . . . . 59 I CA . 25333 1 235 . 1 1 63 63 ILE CB C 13 38.631 0.3 . 1 . . . . 59 I CB . 25333 1 236 . 1 1 63 63 ILE N N 15 126.426 0.2 . 1 . . . . 59 I N . 25333 1 237 . 1 1 64 64 GLN H H 1 8.77 0.02 . 1 . . . . 60 Q HN . 25333 1 238 . 1 1 64 64 GLN CA C 13 51.554 0.3 . 1 . . . . 60 Q CA . 25333 1 239 . 1 1 64 64 GLN CB C 13 28.82 0.3 . 1 . . . . 60 Q CB . 25333 1 240 . 1 1 64 64 GLN N N 15 125.666 0.2 . 1 . . . . 60 Q N . 25333 1 241 . 1 1 65 65 ASN H H 1 8.974 0.02 . 1 . . . . 61 N HN . 25333 1 242 . 1 1 65 65 ASN CA C 13 49.857 0.3 . 1 . . . . 61 N CA . 25333 1 243 . 1 1 65 65 ASN CB C 13 42.241 0.3 . 1 . . . . 61 N CB . 25333 1 244 . 1 1 65 65 ASN N N 15 121.647 0.2 . 1 . . . . 61 N N . 25333 1 245 . 1 1 66 66 GLU H H 1 8.974 0.02 . 1 . . . . 62 E HN . 25333 1 246 . 1 1 66 66 GLU CA C 13 52.188 0.3 . 1 . . . . 62 E CA . 25333 1 247 . 1 1 66 66 GLU CB C 13 31.064 0.3 . 1 . . . . 62 E CB . 25333 1 248 . 1 1 66 66 GLU N N 15 121.444 0.2 . 1 . . . . 62 E N . 25333 1 249 . 1 1 67 67 PHE H H 1 8.241 0.02 . 1 . . . . 63 F HN . 25333 1 250 . 1 1 67 67 PHE CA C 13 54.038 0.3 . 1 . . . . 63 F CA . 25333 1 251 . 1 1 67 67 PHE CB C 13 38.64 0.3 . 1 . . . . 63 F CB . 25333 1 252 . 1 1 67 67 PHE N N 15 115.34 0.2 . 1 . . . . 63 F N . 25333 1 253 . 1 1 68 68 THR H H 1 8.973 0.02 . 1 . . . . 64 T HN . 25333 1 254 . 1 1 68 68 THR CA C 13 58.592 0.3 . 1 . . . . 64 T CA . 25333 1 255 . 1 1 68 68 THR CB C 13 67.768 0.3 . 1 . . . . 64 T CB . 25333 1 256 . 1 1 68 68 THR N N 15 118.046 0.2 . 1 . . . . 64 T N . 25333 1 257 . 1 1 69 69 VAL H H 1 9.139 0.02 . 1 . . . . 65 V HN . 25333 1 258 . 1 1 69 69 VAL CA C 13 61.504 0.3 . 1 . . . . 65 V CA . 25333 1 259 . 1 1 69 69 VAL CB C 13 29.223 0.3 . 1 . . . . 65 V CB . 25333 1 260 . 1 1 69 69 VAL N N 15 125.144 0.2 . 1 . . . . 65 V N . 25333 1 261 . 1 1 70 70 GLY H H 1 8.795 0.02 . 1 . . . . 66 G HN . 25333 1 262 . 1 1 70 70 GLY CA C 13 42.71 0.3 . 1 . . . . 66 G CA . 25333 1 263 . 1 1 70 70 GLY N N 15 109.421 0.2 . 1 . . . . 66 G N . 25333 1 264 . 1 1 71 71 GLU H H 1 7.737 0.02 . 1 . . . . 67 E HN . 25333 1 265 . 1 1 71 71 GLU CA C 13 51.54 0.3 . 1 . . . . 67 E CA . 25333 1 266 . 1 1 71 71 GLU CB C 13 29.08 0.3 . 1 . . . . 67 E CB . 25333 1 267 . 1 1 71 71 GLU N N 15 119.125 0.2 . 1 . . . . 67 E N . 25333 1 268 . 1 1 72 72 GLU H H 1 8.972 0.02 . 1 . . . . 68 E HN . 25333 1 269 . 1 1 72 72 GLU CA C 13 55.39 0.3 . 1 . . . . 68 E CA . 25333 1 270 . 1 1 72 72 GLU CB C 13 27.368 0.3 . 1 . . . . 68 E CB . 25333 1 271 . 1 1 72 72 GLU N N 15 125.892 0.2 . 1 . . . . 68 E N . 25333 1 272 . 1 1 73 73 CYS H H 1 9.008 0.02 . 1 . . . . 69 C HN . 25333 1 273 . 1 1 73 73 CYS CA C 13 52.849 0.3 . 1 . . . . 69 C CA . 25333 1 274 . 1 1 73 73 CYS CB C 13 28.684 0.3 . 1 . . . . 69 C CB . 25333 1 275 . 1 1 73 73 CYS N N 15 122.196 0.2 . 1 . . . . 69 C N . 25333 1 276 . 1 1 74 74 GLU H H 1 8.408 0.02 . 1 . . . . 70 E HN . 25333 1 277 . 1 1 74 74 GLU CA C 13 52.546 0.3 . 1 . . . . 70 E CA . 25333 1 278 . 1 1 74 74 GLU CB C 13 29.302 0.3 . 1 . . . . 70 E CB . 25333 1 279 . 1 1 74 74 GLU N N 15 119.978 0.2 . 1 . . . . 70 E N . 25333 1 280 . 1 1 75 75 LEU H H 1 8.938 0.02 . 1 . . . . 71 L HN . 25333 1 281 . 1 1 75 75 LEU CA C 13 50.279 0.3 . 1 . . . . 71 L CA . 25333 1 282 . 1 1 75 75 LEU CB C 13 41.937 0.3 . 1 . . . . 71 L CB . 25333 1 283 . 1 1 75 75 LEU N N 15 126.18 0.2 . 1 . . . . 71 L N . 25333 1 284 . 1 1 76 76 GLU H H 1 9.081 0.02 . 1 . . . . 72 E HN . 25333 1 285 . 1 1 76 76 GLU CA C 13 52.497 0.3 . 1 . . . . 72 E CA . 25333 1 286 . 1 1 76 76 GLU CB C 13 29.35 0.3 . 1 . . . . 72 E CB . 25333 1 287 . 1 1 76 76 GLU N N 15 123.053 0.2 . 1 . . . . 72 E N . 25333 1 288 . 1 1 77 77 THR H H 1 8.552 0.02 . 1 . . . . 73 T HN . 25333 1 289 . 1 1 77 77 THR CA C 13 57.534 0.3 . 1 . . . . 73 T CA . 25333 1 290 . 1 1 77 77 THR CB C 13 68.253 0.3 . 1 . . . . 73 T CB . 25333 1 291 . 1 1 77 77 THR N N 15 114.591 0.2 . 1 . . . . 73 T N . 25333 1 292 . 1 1 78 78 MET H H 1 9.004 0.02 . 1 . . . . 74 M HN . 25333 1 293 . 1 1 78 78 MET N N 15 118.049 0.2 . 1 . . . . 74 M N . 25333 1 294 . 1 1 79 79 THR H H 1 7.619 0.02 . 1 . . . . 75 T HN . 25333 1 295 . 1 1 79 79 THR CA C 13 58.959 0.3 . 1 . . . . 75 T CA . 25333 1 296 . 1 1 79 79 THR CB C 13 66.197 0.3 . 1 . . . . 75 T CB . 25333 1 297 . 1 1 79 79 THR N N 15 105.545 0.2 . 1 . . . . 75 T N . 25333 1 298 . 1 1 80 80 GLY H H 1 7.647 0.02 . 1 . . . . 76 G HN . 25333 1 299 . 1 1 80 80 GLY CA C 13 42.542 0.3 . 1 . . . . 76 G CA . 25333 1 300 . 1 1 80 80 GLY N N 15 110.126 0.2 . 1 . . . . 76 G N . 25333 1 301 . 1 1 81 81 GLU H H 1 7.34 0.02 . 1 . . . . 77 E HN . 25333 1 302 . 1 1 81 81 GLU CA C 13 53.467 0.3 . 1 . . . . 77 E CA . 25333 1 303 . 1 1 81 81 GLU CB C 13 27.642 0.3 . 1 . . . . 77 E CB . 25333 1 304 . 1 1 81 81 GLU N N 15 120.775 0.2 . 1 . . . . 77 E N . 25333 1 305 . 1 1 82 82 LYS H H 1 8.375 0.02 . 1 . . . . 78 K HN . 25333 1 306 . 1 1 82 82 LYS CA C 13 51.965 0.3 . 1 . . . . 78 K CA . 25333 1 307 . 1 1 82 82 LYS CB C 13 31.32 0.3 . 1 . . . . 78 K CB . 25333 1 308 . 1 1 82 82 LYS N N 15 121.077 0.2 . 1 . . . . 78 K N . 25333 1 309 . 1 1 83 83 VAL H H 1 8.793 0.02 . 1 . . . . 79 V HN . 25333 1 310 . 1 1 83 83 VAL CA C 13 57.048 0.3 . 1 . . . . 79 V CA . 25333 1 311 . 1 1 83 83 VAL CB C 13 31.422 0.3 . 1 . . . . 79 V CB . 25333 1 312 . 1 1 83 83 VAL N N 15 120.585 0.2 . 1 . . . . 79 V N . 25333 1 313 . 1 1 84 84 LYS H H 1 8.005 0.02 . 1 . . . . 80 K HN . 25333 1 314 . 1 1 84 84 LYS CA C 13 52.202 0.3 . 1 . . . . 80 K CA . 25333 1 315 . 1 1 84 84 LYS CB C 13 30.713 0.3 . 1 . . . . 80 K CB . 25333 1 316 . 1 1 84 84 LYS N N 15 125.027 0.2 . 1 . . . . 80 K N . 25333 1 317 . 1 1 85 85 THR H H 1 8.43 0.02 . 1 . . . . 81 T HN . 25333 1 318 . 1 1 85 85 THR CA C 13 56.807 0.3 . 1 . . . . 81 T CA . 25333 1 319 . 1 1 85 85 THR CB C 13 66.703 0.3 . 1 . . . . 81 T CB . 25333 1 320 . 1 1 85 85 THR N N 15 117.938 0.2 . 1 . . . . 81 T N . 25333 1 321 . 1 1 86 86 VAL H H 1 8.137 0.02 . 1 . . . . 82 V HN . 25333 1 322 . 1 1 86 86 VAL CA C 13 58.735 0.3 . 1 . . . . 82 V CA . 25333 1 323 . 1 1 86 86 VAL CB C 13 32.312 0.3 . 1 . . . . 82 V CB . 25333 1 324 . 1 1 86 86 VAL N N 15 120.001 0.2 . 1 . . . . 82 V N . 25333 1 325 . 1 1 87 87 VAL H H 1 9.717 0.02 . 1 . . . . 83 V HN . 25333 1 326 . 1 1 87 87 VAL CA C 13 58.547 0.3 . 1 . . . . 83 V CA . 25333 1 327 . 1 1 87 87 VAL CB C 13 29.161 0.3 . 1 . . . . 83 V CB . 25333 1 328 . 1 1 87 87 VAL N N 15 133.538 0.2 . 1 . . . . 83 V N . 25333 1 329 . 1 1 88 88 GLN H H 1 8.8 0.02 . 1 . . . . 84 Q HN . 25333 1 330 . 1 1 88 88 GLN CA C 13 51.03 0.3 . 1 . . . . 84 Q CA . 25333 1 331 . 1 1 88 88 GLN CB C 13 32.717 0.3 . 1 . . . . 84 Q CB . 25333 1 332 . 1 1 88 88 GLN N N 15 124.682 0.2 . 1 . . . . 84 Q N . 25333 1 333 . 1 1 89 89 LEU H H 1 8.468 0.02 . 1 . . . . 85 L HN . 25333 1 334 . 1 1 89 89 LEU CA C 13 51.371 0.3 . 1 . . . . 85 L CA . 25333 1 335 . 1 1 89 89 LEU CB C 13 41.855 0.3 . 1 . . . . 85 L CB . 25333 1 336 . 1 1 89 89 LEU N N 15 123.593 0.2 . 1 . . . . 85 L N . 25333 1 337 . 1 1 90 90 GLU H H 1 9.083 0.02 . 1 . . . . 86 E HN . 25333 1 338 . 1 1 90 90 GLU CA C 13 52.646 0.3 . 1 . . . . 86 E CA . 25333 1 339 . 1 1 90 90 GLU CB C 13 28.874 0.3 . 1 . . . . 86 E CB . 25333 1 340 . 1 1 90 90 GLU N N 15 128.459 0.2 . 1 . . . . 86 E N . 25333 1 341 . 1 1 91 91 GLY H H 1 8.413 0.02 . 1 . . . . 87 G HN . 25333 1 342 . 1 1 91 91 GLY CA C 13 43.292 0.3 . 1 . . . . 87 G CA . 25333 1 343 . 1 1 91 91 GLY N N 15 112.807 0.2 . 1 . . . . 87 G N . 25333 1 344 . 1 1 92 92 ASP H H 1 8.43 0.02 . 1 . . . . 88 D HN . 25333 1 345 . 1 1 92 92 ASP CA C 13 52.067 0.3 . 1 . . . . 88 D CA . 25333 1 346 . 1 1 92 92 ASP CB C 13 39.098 0.3 . 1 . . . . 88 D CB . 25333 1 347 . 1 1 92 92 ASP N N 15 118.014 0.2 . 1 . . . . 88 D N . 25333 1 348 . 1 1 93 93 ASN H H 1 8.127 0.02 . 1 . . . . 89 N HN . 25333 1 349 . 1 1 93 93 ASN CA C 13 50.757 0.3 . 1 . . . . 89 N CA . 25333 1 350 . 1 1 93 93 ASN CB C 13 37.001 0.3 . 1 . . . . 89 N CB . 25333 1 351 . 1 1 93 93 ASN N N 15 114.543 0.2 . 1 . . . . 89 N N . 25333 1 352 . 1 1 94 94 LYS H H 1 7.426 0.02 . 1 . . . . 90 K HN . 25333 1 353 . 1 1 94 94 LYS CA C 13 52.528 0.3 . 1 . . . . 90 K CA . 25333 1 354 . 1 1 94 94 LYS CB C 13 33.331 0.3 . 1 . . . . 90 K CB . 25333 1 355 . 1 1 94 94 LYS N N 15 118.583 0.2 . 1 . . . . 90 K N . 25333 1 356 . 1 1 95 95 LEU H H 1 8.986 0.02 . 1 . . . . 91 L HN . 25333 1 357 . 1 1 95 95 LEU CA C 13 50.143 0.3 . 1 . . . . 91 L CA . 25333 1 358 . 1 1 95 95 LEU CB C 13 41.475 0.3 . 1 . . . . 91 L CB . 25333 1 359 . 1 1 95 95 LEU N N 15 123.983 0.2 . 1 . . . . 91 L N . 25333 1 360 . 1 1 96 96 VAL H H 1 9.266 0.02 . 1 . . . . 92 V HN . 25333 1 361 . 1 1 96 96 VAL CA C 13 58.068 0.3 . 1 . . . . 92 V CA . 25333 1 362 . 1 1 96 96 VAL CB C 13 32.746 0.3 . 1 . . . . 92 V CB . 25333 1 363 . 1 1 96 96 VAL N N 15 123.675 0.2 . 1 . . . . 92 V N . 25333 1 364 . 1 1 97 97 THR H H 1 8.792 0.02 . 1 . . . . 93 T HN . 25333 1 365 . 1 1 97 97 THR CA C 13 61.072 0.3 . 1 . . . . 93 T CA . 25333 1 366 . 1 1 97 97 THR CB C 13 66.587 0.3 . 1 . . . . 93 T CB . 25333 1 367 . 1 1 97 97 THR N N 15 120.05 0.2 . 1 . . . . 93 T N . 25333 1 368 . 1 1 98 98 ALA H H 1 8.348 0.02 . 1 . . . . 94 A HN . 25333 1 369 . 1 1 98 98 ALA CA C 13 48.469 0.3 . 1 . . . . 94 A CA . 25333 1 370 . 1 1 98 98 ALA CB C 13 19.439 0.3 . 1 . . . . 94 A CB . 25333 1 371 . 1 1 98 98 ALA N N 15 125.911 0.2 . 1 . . . . 94 A N . 25333 1 372 . 1 1 99 99 PHE H H 1 8.562 0.02 . 1 . . . . 95 F HN . 25333 1 373 . 1 1 99 99 PHE CA C 13 55.368 0.3 . 1 . . . . 95 F CA . 25333 1 374 . 1 1 99 99 PHE CB C 13 38.839 0.3 . 1 . . . . 95 F CB . 25333 1 375 . 1 1 99 99 PHE N N 15 121.083 0.2 . 1 . . . . 95 F N . 25333 1 376 . 1 1 100 100 LYS H H 1 8.792 0.02 . 1 . . . . 96 K HN . 25333 1 377 . 1 1 100 100 LYS N N 15 124.657 0.2 . 1 . . . . 96 K N . 25333 1 378 . 1 1 101 101 ASN CA C 13 51.055 0.3 . 1 . . . . 97 N CA . 25333 1 379 . 1 1 101 101 ASN CB C 13 34.981 0.3 . 1 . . . . 97 N CB . 25333 1 380 . 1 1 102 102 ILE H H 1 8.435 0.02 . 1 . . . . 98 I HN . 25333 1 381 . 1 1 102 102 ILE CA C 13 58.27 0.3 . 1 . . . . 98 I CA . 25333 1 382 . 1 1 102 102 ILE CB C 13 37.463 0.3 . 1 . . . . 98 I CB . 25333 1 383 . 1 1 102 102 ILE N N 15 121.42 0.2 . 1 . . . . 98 I N . 25333 1 384 . 1 1 103 103 LYS H H 1 8.236 0.02 . 1 . . . . 99 K HN . 25333 1 385 . 1 1 103 103 LYS CA C 13 52.546 0.3 . 1 . . . . 99 K CA . 25333 1 386 . 1 1 103 103 LYS CB C 13 31.852 0.3 . 1 . . . . 99 K CB . 25333 1 387 . 1 1 103 103 LYS N N 15 127.03 0.2 . 1 . . . . 99 K N . 25333 1 388 . 1 1 104 104 SER H H 1 8.617 0.02 . 1 . . . . 100 S HN . 25333 1 389 . 1 1 104 104 SER CA C 13 53.244 0.3 . 1 . . . . 100 S CA . 25333 1 390 . 1 1 104 104 SER CB C 13 62.049 0.3 . 1 . . . . 100 S CB . 25333 1 391 . 1 1 104 104 SER N N 15 118.514 0.2 . 1 . . . . 100 S N . 25333 1 392 . 1 1 105 105 VAL H H 1 8.818 0.02 . 1 . . . . 101 V HN . 25333 1 393 . 1 1 105 105 VAL CA C 13 58.879 0.3 . 1 . . . . 101 V CA . 25333 1 394 . 1 1 105 105 VAL CB C 13 32.452 0.3 . 1 . . . . 101 V CB . 25333 1 395 . 1 1 105 105 VAL N N 15 128.446 0.2 . 1 . . . . 101 V N . 25333 1 396 . 1 1 106 106 THR H H 1 9.312 0.02 . 1 . . . . 102 T HN . 25333 1 397 . 1 1 106 106 THR CA C 13 59.293 0.3 . 1 . . . . 102 T CA . 25333 1 398 . 1 1 106 106 THR CB C 13 67.436 0.3 . 1 . . . . 102 T CB . 25333 1 399 . 1 1 106 106 THR N N 15 128.175 0.2 . 1 . . . . 102 T N . 25333 1 400 . 1 1 107 107 GLU H H 1 8.993 0.02 . 1 . . . . 103 E HN . 25333 1 401 . 1 1 107 107 GLU CA C 13 51.173 0.3 . 1 . . . . 103 E CA . 25333 1 402 . 1 1 107 107 GLU CB C 13 31.379 0.3 . 1 . . . . 103 E CB . 25333 1 403 . 1 1 107 107 GLU N N 15 127.131 0.2 . 1 . . . . 103 E N . 25333 1 404 . 1 1 108 108 LEU H H 1 8.453 0.02 . 1 . . . . 104 L HN . 25333 1 405 . 1 1 108 108 LEU CA C 13 50.923 0.3 . 1 . . . . 104 L CA . 25333 1 406 . 1 1 108 108 LEU CB C 13 45.088 0.3 . 1 . . . . 104 L CB . 25333 1 407 . 1 1 108 108 LEU N N 15 128.497 0.2 . 1 . . . . 104 L N . 25333 1 408 . 1 1 109 109 ASN H H 1 8.884 0.02 . 1 . . . . 105 N HN . 25333 1 409 . 1 1 109 109 ASN CA C 13 49.91 0.3 . 1 . . . . 105 N CA . 25333 1 410 . 1 1 109 109 ASN CB C 13 37.585 0.3 . 1 . . . . 105 N CB . 25333 1 411 . 1 1 109 109 ASN N N 15 126.343 0.2 . 1 . . . . 105 N N . 25333 1 412 . 1 1 110 110 GLY H H 1 8.876 0.02 . 1 . . . . 106 G HN . 25333 1 413 . 1 1 110 110 GLY CA C 13 45.165 0.3 . 1 . . . . 106 G CA . 25333 1 414 . 1 1 110 110 GLY N N 15 115.505 0.2 . 1 . . . . 106 G N . 25333 1 415 . 1 1 111 111 ASP H H 1 8.837 0.02 . 1 . . . . 107 D HN . 25333 1 416 . 1 1 111 111 ASP CA C 13 51.321 0.3 . 1 . . . . 107 D CA . 25333 1 417 . 1 1 111 111 ASP CB C 13 39.285 0.3 . 1 . . . . 107 D CB . 25333 1 418 . 1 1 111 111 ASP N N 15 127.048 0.2 . 1 . . . . 107 D N . 25333 1 419 . 1 1 112 112 ILE H H 1 7.877 0.02 . 1 . . . . 108 I HN . 25333 1 420 . 1 1 112 112 ILE CA C 13 56.139 0.3 . 1 . . . . 108 I CA . 25333 1 421 . 1 1 112 112 ILE CB C 13 37.104 0.3 . 1 . . . . 108 I CB . 25333 1 422 . 1 1 112 112 ILE N N 15 119.933 0.2 . 1 . . . . 108 I N . 25333 1 423 . 1 1 113 113 ILE H H 1 8.761 0.02 . 1 . . . . 109 I HN . 25333 1 424 . 1 1 113 113 ILE CA C 13 57.152 0.3 . 1 . . . . 109 I CA . 25333 1 425 . 1 1 113 113 ILE CB C 13 38.08 0.3 . 1 . . . . 109 I CB . 25333 1 426 . 1 1 113 113 ILE N N 15 126.573 0.2 . 1 . . . . 109 I N . 25333 1 427 . 1 1 114 114 THR H H 1 8.842 0.02 . 1 . . . . 110 T HN . 25333 1 428 . 1 1 114 114 THR CA C 13 58.591 0.3 . 1 . . . . 110 T CA . 25333 1 429 . 1 1 114 114 THR CB C 13 67.258 0.3 . 1 . . . . 110 T CB . 25333 1 430 . 1 1 114 114 THR N N 15 123.443 0.2 . 1 . . . . 110 T N . 25333 1 431 . 1 1 115 115 ASN H H 1 9.149 0.02 . 1 . . . . 111 N HN . 25333 1 432 . 1 1 115 115 ASN CA C 13 49.14 0.3 . 1 . . . . 111 N CA . 25333 1 433 . 1 1 115 115 ASN CB C 13 39.074 0.3 . 1 . . . . 111 N CB . 25333 1 434 . 1 1 115 115 ASN N N 15 127.269 0.2 . 1 . . . . 111 N N . 25333 1 435 . 1 1 116 116 THR H H 1 9.24 0.02 . 1 . . . . 112 T HN . 25333 1 436 . 1 1 116 116 THR CA C 13 59.275 0.3 . 1 . . . . 112 T CA . 25333 1 437 . 1 1 116 116 THR CB C 13 66.893 0.3 . 1 . . . . 112 T CB . 25333 1 438 . 1 1 116 116 THR N N 15 123.062 0.2 . 1 . . . . 112 T N . 25333 1 439 . 1 1 117 117 MET H H 1 9.358 0.02 . 1 . . . . 113 M HN . 25333 1 440 . 1 1 117 117 MET CA C 13 51.531 0.3 . 1 . . . . 113 M CA . 25333 1 441 . 1 1 117 117 MET CB C 13 34.015 0.3 . 1 . . . . 113 M CB . 25333 1 442 . 1 1 117 117 MET N N 15 128.179 0.2 . 1 . . . . 113 M N . 25333 1 443 . 1 1 118 118 THR H H 1 8.85 0.02 . 1 . . . . 114 T HN . 25333 1 444 . 1 1 118 118 THR CA C 13 58.393 0.3 . 1 . . . . 114 T CA . 25333 1 445 . 1 1 118 118 THR CB C 13 68.284 0.3 . 1 . . . . 114 T CB . 25333 1 446 . 1 1 118 118 THR N N 15 117.315 0.2 . 1 . . . . 114 T N . 25333 1 447 . 1 1 119 119 LEU H H 1 8.691 0.02 . 1 . . . . 115 L HN . 25333 1 448 . 1 1 119 119 LEU CA C 13 53.875 0.3 . 1 . . . . 115 L CA . 25333 1 449 . 1 1 119 119 LEU CB C 13 41.999 0.3 . 1 . . . . 115 L CB . 25333 1 450 . 1 1 119 119 LEU N N 15 128.862 0.2 . 1 . . . . 115 L N . 25333 1 451 . 1 1 120 120 GLY H H 1 9.218 0.02 . 1 . . . . 116 G HN . 25333 1 452 . 1 1 120 120 GLY CA C 13 44.74 0.3 . 1 . . . . 116 G CA . 25333 1 453 . 1 1 120 120 GLY N N 15 117.796 0.2 . 1 . . . . 116 G N . 25333 1 454 . 1 1 121 121 ASP H H 1 8.623 0.02 . 1 . . . . 117 D HN . 25333 1 455 . 1 1 121 121 ASP CA C 13 51.486 0.3 . 1 . . . . 117 D CA . 25333 1 456 . 1 1 121 121 ASP CB C 13 38.118 0.3 . 1 . . . . 117 D CB . 25333 1 457 . 1 1 121 121 ASP N N 15 126.407 0.2 . 1 . . . . 117 D N . 25333 1 458 . 1 1 122 122 ILE H H 1 8.308 0.02 . 1 . . . . 118 I HN . 25333 1 459 . 1 1 122 122 ILE CA C 13 59.126 0.3 . 1 . . . . 118 I CA . 25333 1 460 . 1 1 122 122 ILE CB C 13 35.974 0.3 . 1 . . . . 118 I CB . 25333 1 461 . 1 1 122 122 ILE N N 15 122.558 0.2 . 1 . . . . 118 I N . 25333 1 462 . 1 1 123 123 VAL H H 1 8.334 0.02 . 1 . . . . 119 V HN . 25333 1 463 . 1 1 123 123 VAL CA C 13 59.1 0.3 . 1 . . . . 119 V CA . 25333 1 464 . 1 1 123 123 VAL CB C 13 29.444 0.3 . 1 . . . . 119 V CB . 25333 1 465 . 1 1 123 123 VAL N N 15 127.569 0.2 . 1 . . . . 119 V N . 25333 1 466 . 1 1 124 124 PHE H H 1 9.303 0.02 . 1 . . . . 120 F HN . 25333 1 467 . 1 1 124 124 PHE CA C 13 51.277 0.3 . 1 . . . . 120 F CA . 25333 1 468 . 1 1 124 124 PHE CB C 13 38.311 0.3 . 1 . . . . 120 F CB . 25333 1 469 . 1 1 124 124 PHE N N 15 131.516 0.2 . 1 . . . . 120 F N . 25333 1 470 . 1 1 125 125 LYS H H 1 8.037 0.02 . 1 . . . . 121 K HN . 25333 1 471 . 1 1 125 125 LYS CA C 13 51.68 0.3 . 1 . . . . 121 K CA . 25333 1 472 . 1 1 125 125 LYS CB C 13 34.32 0.3 . 1 . . . . 121 K CB . 25333 1 473 . 1 1 125 125 LYS N N 15 128.164 0.2 . 1 . . . . 121 K N . 25333 1 474 . 1 1 126 126 ARG H H 1 8.631 0.02 . 1 . . . . 122 R HN . 25333 1 475 . 1 1 126 126 ARG CA C 13 52.785 0.3 . 1 . . . . 122 R CA . 25333 1 476 . 1 1 126 126 ARG CB C 13 31.629 0.3 . 1 . . . . 122 R CB . 25333 1 477 . 1 1 126 126 ARG N N 15 122.567 0.2 . 1 . . . . 122 R N . 25333 1 478 . 1 1 127 127 ILE H H 1 8.739 0.02 . 1 . . . . 123 I HN . 25333 1 479 . 1 1 127 127 ILE CB C 13 44.187 0.3 . 1 . . . . 123 I CB . 25333 1 480 . 1 1 127 127 ILE N N 15 126.245 0.2 . 1 . . . . 123 I N . 25333 1 481 . 1 1 128 128 SER H H 1 9.27 0.02 . 1 . . . . 124 S HN . 25333 1 482 . 1 1 128 128 SER CA C 13 56.164 0.3 . 1 . . . . 124 S CA . 25333 1 483 . 1 1 128 128 SER CB C 13 62.795 0.3 . 1 . . . . 124 S CB . 25333 1 484 . 1 1 128 128 SER N N 15 122.808 0.2 . 1 . . . . 124 S N . 25333 1 485 . 1 1 129 129 LYS H H 1 8.596 0.02 . 1 . . . . 125 K HN . 25333 1 486 . 1 1 129 129 LYS CA C 13 51.765 0.3 . 1 . . . . 125 K CA . 25333 1 487 . 1 1 129 129 LYS CB C 13 32.486 0.3 . 1 . . . . 125 K CB . 25333 1 488 . 1 1 129 129 LYS N N 15 122.984 0.2 . 1 . . . . 125 K N . 25333 1 489 . 1 1 130 130 ARG H H 1 9.22 0.02 . 1 . . . . 126 R HN . 25333 1 490 . 1 1 130 130 ARG CA C 13 54.475 0.3 . 1 . . . . 126 R CA . 25333 1 491 . 1 1 130 130 ARG CB C 13 28.723 0.3 . 1 . . . . 126 R CB . 25333 1 492 . 1 1 130 130 ARG N N 15 129.394 0.2 . 1 . . . . 126 R N . 25333 1 493 . 1 1 131 131 ILE H H 1 8.632 0.02 . 1 . . . . 127 I HN . 25333 1 494 . 1 1 131 131 ILE CA C 13 58.201 0.3 . 1 . . . . 127 I CA . 25333 1 495 . 1 1 131 131 ILE CB C 13 36.78 0.3 . 1 . . . . 127 I CB . 25333 1 496 . 1 1 131 131 ILE N N 15 126.163 0.2 . 1 . . . . 127 I N . 25333 1 497 . 1 1 132 132 LEU H H 1 8.268 0.02 . 1 . . . . 128 L HN . 25333 1 498 . 1 1 132 132 LEU CA C 13 52.14 0.3 . 1 . . . . 128 L CA . 25333 1 499 . 1 1 132 132 LEU CB C 13 39.869 0.3 . 1 . . . . 128 L CB . 25333 1 500 . 1 1 132 132 LEU N N 15 127.024 0.2 . 1 . . . . 128 L N . 25333 1 501 . 1 1 133 133 VAL H H 1 8.028 0.02 . 1 . . . . 129 V HN . 25333 1 502 . 1 1 133 133 VAL CA C 13 56.918 0.3 . 1 . . . . 129 V CA . 25333 1 503 . 1 1 133 133 VAL CB C 13 30.017 0.3 . 1 . . . . 129 V CB . 25333 1 504 . 1 1 133 133 VAL N N 15 123.03 0.2 . 1 . . . . 129 V N . 25333 1 505 . 1 1 134 134 PRO CA C 13 60.57 0.3 . 1 . . . . 130 P CA . 25333 1 506 . 1 1 134 134 PRO CB C 13 31.46 0.3 . 1 . . . . 130 P CB . 25333 1 507 . 1 1 135 135 ARG H H 1 7.937 0.02 . 1 . . . . 131 R HN . 25333 1 508 . 1 1 135 135 ARG CA C 13 55.116 0.3 . 1 . . . . 131 R CA . 25333 1 509 . 1 1 135 135 ARG CB C 13 28.339 0.3 . 1 . . . . 131 R CB . 25333 1 510 . 1 1 135 135 ARG N N 15 125.371 0.2 . 1 . . . . 131 R N . 25333 1 stop_ save_