data_19188 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19188 _Entry.Title ; Ligand binding promiscuity of human liver fatty acid binding protein: structural and dynamic insights from an interaction study with glycocholate and oleate ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-24 _Entry.Accession_date 2013-04-24 _Entry.Last_release_date 2013-10-17 _Entry.Original_release_date 2013-10-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Mariapina D'Onofrio . . . 19188 2 Filippo Favretto . . . 19188 3 Michael Assfalg . . . 19188 4 Henriette Molinari . . . 19188 5 Mariana Gallo . . . 19188 6 Daniel Cicero . . . 19188 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19188 heteronucl_NOEs 1 19188 heteronucl_T1_relaxation 1 19188 heteronucl_T2_relaxation 1 19188 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 373 19188 '15N chemical shifts' 126 19188 '1H chemical shifts' 251 19188 'heteronuclear NOE values' 114 19188 'T1 relaxation values' 98 19188 'T2 relaxation values' 102 19188 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 . . 2013-10-17 2013-04-24 original author . 19188 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19160 'hL-FABP in complex with glycocholate' 19188 BMRB 19189 'hL-FABP in apo form' 19188 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19188 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Ligand binding promiscuity of human liver fatty acid binding protein: structural and dynamic insights from an interaction study with glycocholate and oleate' _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev ChemBioChem _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Filippo Favretto . . . 19188 1 2 Michael Assfalg . . . 19188 1 3 Mariana Gallo . . . 19188 1 4 Daniel Cicero . . . 19188 1 5 Mariapina D'Onofrio . . . 19188 1 6 Henriette Molinari . . . 19188 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'fatty acid carrier' 19188 1 'lipid binding protein' 19188 1 'oleic acid' 19188 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19188 _Assembly.ID 1 _Assembly.Name hL-FABP:OLA _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _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 . . . 19188 1 2 oleate 2 $entity_OLA B . no native no no . . . 19188 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hL-FABP _Entity.Sf_category entity _Entity.Sf_framecode hL-FABP _Entity.Entry_ID 19188 _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' _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 . . . . 19188 1 2 no BMRB 17303 . L-FABP . . . . . 93.33 126 99.21 99.21 1.93e-81 . . . . 19188 1 3 no BMRB 19160 . hL-FABP . . . . . 100.00 135 100.00 100.00 3.75e-90 . . . . 19188 1 4 no BMRB 19189 . hL-FABP . . . . . 100.00 135 100.00 100.00 3.75e-90 . . . . 19188 1 5 no BMRB 25333 . hL-FABP . . . . . 100.00 135 100.00 100.00 3.75e-90 . . . . 19188 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 . . . . 19188 1 7 no PDB 2L67 . "Solution Structure Of Human Apo L-fabp" . . . . . 93.33 126 99.21 99.21 1.93e-81 . . . . 19188 1 8 no PDB 2L68 . "Solution Structure Of Human Holo L-fabp" . . . . . 93.33 126 99.21 99.21 1.93e-81 . . . . 19188 1 9 no PDB 2LKK . "Human L-fabp In Complex With Oleate" . . . . . 93.33 126 99.21 99.21 1.93e-81 . . . . 19188 1 10 no PDB 2PY1 . "Solution Structure Of Human Liver Fatty Acid Binding Protein" . . . . . 95.56 129 99.22 99.22 7.86e-84 . . . . 19188 1 11 no PDB 3B2H . "Iodide Derivative Of Human Lfabp At High Resolution" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 19188 1 12 no PDB 3B2I . "Iodide Derivative Of Human Lfabp" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 19188 1 13 no PDB 3B2J . "Iodide Derivative Of Human Lfabp" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 19188 1 14 no PDB 3B2K . "Iodide Derivative Of Human Lfabp" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 19188 1 15 no PDB 3B2L . "Iodide Derivative Of Human Lfabp" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 19188 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 . . . . 19188 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 . . . . 19188 1 18 no PDB 3STN . "Structure Of Human Lfabp (Apo-Lfabp)" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 19188 1 19 no PDB 3VG2 . "Iodide Derivative Of Human Lfabp" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 19188 1 20 no PDB 3VG3 . "Cadmium Derivative Of Human Lfabp" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 19188 1 21 no PDB 3VG4 . "Cadmium Derivative Of Human Lfabp" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 19188 1 22 no PDB 3VG5 . "Barium Derivative Of Human Lfabp" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 19188 1 23 no PDB 3VG6 . "Barium Derivative Of Human Lfabp" . . . . . 97.04 132 97.71 97.71 5.79e-82 . . . . 19188 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 . . . . 19188 1 25 no DBJ BAI46102 . "fatty acid binding protein 1, liver [synthetic construct]" . . . . . 94.07 127 99.21 99.21 2.19e-82 . . . . 19188 1 26 no EMBL CAG46887 . "FABP1 [Homo sapiens]" . . . . . 94.07 127 99.21 99.21 2.19e-82 . . . . 19188 1 27 no GB AAA52418 . "fatty acid binding protein [Homo sapiens]" . . . . . 94.07 127 100.00 100.00 3.39e-83 . . . . 19188 1 28 no GB AAA52419 . "L-FABP [Homo sapiens]" . . . . . 94.07 127 99.21 99.21 2.19e-82 . . . . 19188 1 29 no GB AAH22287 . "FABP1 protein, partial [Homo sapiens]" . . . . . 93.33 134 98.41 99.21 2.53e-81 . . . . 19188 1 30 no GB AAH32801 . "Fatty acid binding protein 1, liver [Homo sapiens]" . . . . . 94.07 127 99.21 99.21 2.19e-82 . . . . 19188 1 31 no GB AAX37108 . "fatty acid binding protein 1 [synthetic construct]" . . . . . 94.07 128 99.21 99.21 2.34e-82 . . . . 19188 1 32 no REF NP_001434 . "fatty acid-binding protein, liver [Homo sapiens]" . . . . . 94.07 127 99.21 99.21 2.19e-82 . . . . 19188 1 33 no REF XP_001140263 . "PREDICTED: fatty acid-binding protein, liver [Pan troglodytes]" . . . . . 94.07 127 99.21 99.21 2.19e-82 . . . . 19188 1 34 no REF XP_003268834 . "PREDICTED: fatty acid-binding protein, liver [Nomascus leucogenys]" . . . . . 94.07 127 97.64 98.43 6.98e-81 . . . . 19188 1 35 no REF XP_003805902 . "PREDICTED: fatty acid-binding protein, liver [Pan paniscus]" . . . . . 94.07 127 99.21 99.21 2.19e-82 . . . . 19188 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 . . . . 19188 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 . . . . 19188 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 . 19188 1 2 -2 ARG . 19188 1 3 -1 GLY . 19188 1 4 0 SER . 19188 1 5 1 MET . 19188 1 6 2 SER . 19188 1 7 3 PHE . 19188 1 8 4 SER . 19188 1 9 5 GLY . 19188 1 10 6 LYS . 19188 1 11 7 TYR . 19188 1 12 8 GLN . 19188 1 13 9 LEU . 19188 1 14 10 GLN . 19188 1 15 11 SER . 19188 1 16 12 GLN . 19188 1 17 13 GLU . 19188 1 18 14 ASN . 19188 1 19 15 PHE . 19188 1 20 16 GLU . 19188 1 21 17 ALA . 19188 1 22 18 PHE . 19188 1 23 19 MET . 19188 1 24 20 LYS . 19188 1 25 21 ALA . 19188 1 26 22 ILE . 19188 1 27 23 GLY . 19188 1 28 24 LEU . 19188 1 29 25 PRO . 19188 1 30 26 GLU . 19188 1 31 27 GLU . 19188 1 32 28 LEU . 19188 1 33 29 ILE . 19188 1 34 30 GLN . 19188 1 35 31 LYS . 19188 1 36 32 GLY . 19188 1 37 33 LYS . 19188 1 38 34 ASP . 19188 1 39 35 ILE . 19188 1 40 36 LYS . 19188 1 41 37 GLY . 19188 1 42 38 VAL . 19188 1 43 39 SER . 19188 1 44 40 GLU . 19188 1 45 41 ILE . 19188 1 46 42 VAL . 19188 1 47 43 GLN . 19188 1 48 44 ASN . 19188 1 49 45 GLY . 19188 1 50 46 LYS . 19188 1 51 47 HIS . 19188 1 52 48 PHE . 19188 1 53 49 LYS . 19188 1 54 50 PHE . 19188 1 55 51 THR . 19188 1 56 52 ILE . 19188 1 57 53 THR . 19188 1 58 54 ALA . 19188 1 59 55 GLY . 19188 1 60 56 SER . 19188 1 61 57 LYS . 19188 1 62 58 VAL . 19188 1 63 59 ILE . 19188 1 64 60 GLN . 19188 1 65 61 ASN . 19188 1 66 62 GLU . 19188 1 67 63 PHE . 19188 1 68 64 THR . 19188 1 69 65 VAL . 19188 1 70 66 GLY . 19188 1 71 67 GLU . 19188 1 72 68 GLU . 19188 1 73 69 CYS . 19188 1 74 70 GLU . 19188 1 75 71 LEU . 19188 1 76 72 GLU . 19188 1 77 73 THR . 19188 1 78 74 MET . 19188 1 79 75 THR . 19188 1 80 76 GLY . 19188 1 81 77 GLU . 19188 1 82 78 LYS . 19188 1 83 79 VAL . 19188 1 84 80 LYS . 19188 1 85 81 THR . 19188 1 86 82 VAL . 19188 1 87 83 VAL . 19188 1 88 84 GLN . 19188 1 89 85 LEU . 19188 1 90 86 GLU . 19188 1 91 87 GLY . 19188 1 92 88 ASP . 19188 1 93 89 ASN . 19188 1 94 90 LYS . 19188 1 95 91 LEU . 19188 1 96 92 VAL . 19188 1 97 93 THR . 19188 1 98 94 ALA . 19188 1 99 95 PHE . 19188 1 100 96 LYS . 19188 1 101 97 ASN . 19188 1 102 98 ILE . 19188 1 103 99 LYS . 19188 1 104 100 SER . 19188 1 105 101 VAL . 19188 1 106 102 THR . 19188 1 107 103 GLU . 19188 1 108 104 LEU . 19188 1 109 105 ASN . 19188 1 110 106 GLY . 19188 1 111 107 ASP . 19188 1 112 108 ILE . 19188 1 113 109 ILE . 19188 1 114 110 THR . 19188 1 115 111 ASN . 19188 1 116 112 THR . 19188 1 117 113 MET . 19188 1 118 114 THR . 19188 1 119 115 LEU . 19188 1 120 116 GLY . 19188 1 121 117 ASP . 19188 1 122 118 ILE . 19188 1 123 119 VAL . 19188 1 124 120 PHE . 19188 1 125 121 LYS . 19188 1 126 122 ARG . 19188 1 127 123 ILE . 19188 1 128 124 SER . 19188 1 129 125 LYS . 19188 1 130 126 ARG . 19188 1 131 127 ILE . 19188 1 132 128 LEU . 19188 1 133 129 VAL . 19188 1 134 130 PRO . 19188 1 135 131 ARG . 19188 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 19188 1 . ARG 2 2 19188 1 . GLY 3 3 19188 1 . SER 4 4 19188 1 . MET 5 5 19188 1 . SER 6 6 19188 1 . PHE 7 7 19188 1 . SER 8 8 19188 1 . GLY 9 9 19188 1 . LYS 10 10 19188 1 . TYR 11 11 19188 1 . GLN 12 12 19188 1 . LEU 13 13 19188 1 . GLN 14 14 19188 1 . SER 15 15 19188 1 . GLN 16 16 19188 1 . GLU 17 17 19188 1 . ASN 18 18 19188 1 . PHE 19 19 19188 1 . GLU 20 20 19188 1 . ALA 21 21 19188 1 . PHE 22 22 19188 1 . MET 23 23 19188 1 . LYS 24 24 19188 1 . ALA 25 25 19188 1 . ILE 26 26 19188 1 . GLY 27 27 19188 1 . LEU 28 28 19188 1 . PRO 29 29 19188 1 . GLU 30 30 19188 1 . GLU 31 31 19188 1 . LEU 32 32 19188 1 . ILE 33 33 19188 1 . GLN 34 34 19188 1 . LYS 35 35 19188 1 . GLY 36 36 19188 1 . LYS 37 37 19188 1 . ASP 38 38 19188 1 . ILE 39 39 19188 1 . LYS 40 40 19188 1 . GLY 41 41 19188 1 . VAL 42 42 19188 1 . SER 43 43 19188 1 . GLU 44 44 19188 1 . ILE 45 45 19188 1 . VAL 46 46 19188 1 . GLN 47 47 19188 1 . ASN 48 48 19188 1 . GLY 49 49 19188 1 . LYS 50 50 19188 1 . HIS 51 51 19188 1 . PHE 52 52 19188 1 . LYS 53 53 19188 1 . PHE 54 54 19188 1 . THR 55 55 19188 1 . ILE 56 56 19188 1 . THR 57 57 19188 1 . ALA 58 58 19188 1 . GLY 59 59 19188 1 . SER 60 60 19188 1 . LYS 61 61 19188 1 . VAL 62 62 19188 1 . ILE 63 63 19188 1 . GLN 64 64 19188 1 . ASN 65 65 19188 1 . GLU 66 66 19188 1 . PHE 67 67 19188 1 . THR 68 68 19188 1 . VAL 69 69 19188 1 . GLY 70 70 19188 1 . GLU 71 71 19188 1 . GLU 72 72 19188 1 . CYS 73 73 19188 1 . GLU 74 74 19188 1 . LEU 75 75 19188 1 . GLU 76 76 19188 1 . THR 77 77 19188 1 . MET 78 78 19188 1 . THR 79 79 19188 1 . GLY 80 80 19188 1 . GLU 81 81 19188 1 . LYS 82 82 19188 1 . VAL 83 83 19188 1 . LYS 84 84 19188 1 . THR 85 85 19188 1 . VAL 86 86 19188 1 . VAL 87 87 19188 1 . GLN 88 88 19188 1 . LEU 89 89 19188 1 . GLU 90 90 19188 1 . GLY 91 91 19188 1 . ASP 92 92 19188 1 . ASN 93 93 19188 1 . LYS 94 94 19188 1 . LEU 95 95 19188 1 . VAL 96 96 19188 1 . THR 97 97 19188 1 . ALA 98 98 19188 1 . PHE 99 99 19188 1 . LYS 100 100 19188 1 . ASN 101 101 19188 1 . ILE 102 102 19188 1 . LYS 103 103 19188 1 . SER 104 104 19188 1 . VAL 105 105 19188 1 . THR 106 106 19188 1 . GLU 107 107 19188 1 . LEU 108 108 19188 1 . ASN 109 109 19188 1 . GLY 110 110 19188 1 . ASP 111 111 19188 1 . ILE 112 112 19188 1 . ILE 113 113 19188 1 . THR 114 114 19188 1 . ASN 115 115 19188 1 . THR 116 116 19188 1 . MET 117 117 19188 1 . THR 118 118 19188 1 . LEU 119 119 19188 1 . GLY 120 120 19188 1 . ASP 121 121 19188 1 . ILE 122 122 19188 1 . VAL 123 123 19188 1 . PHE 124 124 19188 1 . LYS 125 125 19188 1 . ARG 126 126 19188 1 . ILE 127 127 19188 1 . SER 128 128 19188 1 . LYS 129 129 19188 1 . ARG 130 130 19188 1 . ILE 131 131 19188 1 . LEU 132 132 19188 1 . VAL 133 133 19188 1 . PRO 134 134 19188 1 . ARG 135 135 19188 1 stop_ save_ save_entity_OLA _Entity.Sf_category entity _Entity.Sf_framecode entity_OLA _Entity.Entry_ID 19188 _Entity.ID 2 _Entity.BMRB_code OLA _Entity.Name entity_OLA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID OLA _Entity.Nonpolymer_comp_label $chem_comp_OLA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _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 282.461 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'OLEIC ACID' BMRB 19188 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'OLEIC ACID' BMRB 19188 2 OLA 'Three letter code' 19188 2 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 1 OLA $chem_comp_OLA 19188 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 OLA C1 19188 2 2 1 OLA C10 19188 2 3 1 OLA C11 19188 2 4 1 OLA C12 19188 2 5 1 OLA C13 19188 2 6 1 OLA C14 19188 2 7 1 OLA C15 19188 2 8 1 OLA C16 19188 2 9 1 OLA C17 19188 2 10 1 OLA C18 19188 2 11 1 OLA C2 19188 2 12 1 OLA C3 19188 2 13 1 OLA C4 19188 2 14 1 OLA C5 19188 2 15 1 OLA C6 19188 2 16 1 OLA C7 19188 2 17 1 OLA C8 19188 2 18 1 OLA C9 19188 2 19 1 OLA H10 19188 2 20 1 OLA H111 19188 2 21 1 OLA H112 19188 2 22 1 OLA H121 19188 2 23 1 OLA H122 19188 2 24 1 OLA H131 19188 2 25 1 OLA H132 19188 2 26 1 OLA H141 19188 2 27 1 OLA H142 19188 2 28 1 OLA H151 19188 2 29 1 OLA H152 19188 2 30 1 OLA H161 19188 2 31 1 OLA H162 19188 2 32 1 OLA H171 19188 2 33 1 OLA H172 19188 2 34 1 OLA H181 19188 2 35 1 OLA H182 19188 2 36 1 OLA H183 19188 2 37 1 OLA H21 19188 2 38 1 OLA H22 19188 2 39 1 OLA H31 19188 2 40 1 OLA H32 19188 2 41 1 OLA H41 19188 2 42 1 OLA H42 19188 2 43 1 OLA H51 19188 2 44 1 OLA H52 19188 2 45 1 OLA H61 19188 2 46 1 OLA H62 19188 2 47 1 OLA H71 19188 2 48 1 OLA H72 19188 2 49 1 OLA H81 19188 2 50 1 OLA H82 19188 2 51 1 OLA H9 19188 2 52 1 OLA HO2 19188 2 53 1 OLA O1 19188 2 54 1 OLA O2 19188 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 19188 _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 $hL-FABP . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19188 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 19188 _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 $hL-FABP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pQE50 . . . . . . 19188 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_OLA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_OLA _Chem_comp.Entry_ID 19188 _Chem_comp.ID OLA _Chem_comp.Provenance PDB _Chem_comp.Name 'OLEIC ACID' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code OLA _Chem_comp.PDB_code OLA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces OLI _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code OLA _Chem_comp.Number_atoms_all 54 _Chem_comp.Number_atoms_nh 20 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C18 H34 O2' _Chem_comp.Formula_weight 282.461 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1HMS _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCCCCCCC\C=C/CCCCCCCC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19188 OLA CCCCCCCC\C=C/CCCCCCCC(O)=O SMILES_CANONICAL CACTVS 3.341 19188 OLA CCCCCCCCC=CCCCCCCCC(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 19188 OLA CCCCCCCCC=CCCCCCCCC(O)=O SMILES CACTVS 3.341 19188 OLA InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- InChI InChI 1.03 19188 OLA O=C(O)CCCCCCC\C=C/CCCCCCCC SMILES ACDLabs 10.04 19188 OLA ZQPPMHVWECSIRJ-KTKRTIGZSA-N InChIKey InChI 1.03 19188 OLA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(9Z)-octadec-9-enoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 19188 OLA '(Z)-octadec-9-enoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19188 OLA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . 19.030 . 33.338 . 52.492 . 1.422 -0.175 -8.205 1 . 19188 OLA O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . 19.014 . 34.416 . 51.910 . 0.409 -0.728 -8.561 2 . 19188 OLA O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 18.321 . 32.334 . 52.411 . 2.421 0.023 -9.080 3 . 19188 OLA C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 20.002 . 33.266 . 53.577 . 1.566 0.290 -6.779 4 . 19188 OLA C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . 20.600 . 34.503 . 54.125 . 0.296 -0.056 -5.999 5 . 19188 OLA C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 21.803 . 34.275 . 55.060 . 0.441 0.416 -4.551 6 . 19188 OLA C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . 22.341 . 35.602 . 55.561 . -0.827 0.070 -3.771 7 . 19188 OLA C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 23.569 . 35.534 . 56.400 . -0.682 0.543 -2.324 8 . 19188 OLA C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . 23.537 . 34.531 . 57.514 . -1.951 0.196 -1.544 9 . 19188 OLA C8 C8 C8 C8 . C . . N 0 . . . 1 no no . . . . 22.693 . 35.032 . 58.687 . -1.806 0.669 -0.096 10 . 19188 OLA C9 C9 C9 C9 . C . . N 0 . . . 1 no no . . . . 22.642 . 34.052 . 59.804 . -3.056 0.328 0.672 11 . 19188 OLA C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . 21.721 . 34.138 . 60.860 . -2.973 -0.342 1.794 12 . 19188 OLA C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . 20.778 . 35.236 . 61.059 . -1.624 -0.636 2.398 13 . 19188 OLA C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . 19.336 . 34.993 . 60.903 . -1.604 -0.169 3.854 14 . 19188 OLA C13 C13 C13 C13 . C . . N 0 . . . 1 no no . . . . 18.923 . 34.610 . 59.496 . -0.235 -0.467 4.467 15 . 19188 OLA C14 C14 C14 C14 . C . . N 0 . . . 1 no no . . . . 17.506 . 34.084 . 59.484 . -0.215 0.000 5.924 16 . 19188 OLA C15 C15 C15 C15 . C . . N 0 . . . 1 no no . . . . 16.731 . 34.508 . 58.278 . 1.154 -0.297 6.537 17 . 19188 OLA C16 C16 C16 C16 . C . . N 0 . . . 1 no no . . . . 17.327 . 35.668 . 57.566 . 1.173 0.169 7.994 18 . 19188 OLA C17 C17 C17 C17 . C . . N 0 . . . 1 no no . . . . 16.304 . 36.426 . 56.732 . 2.543 -0.128 8.607 19 . 19188 OLA C18 C18 C18 C18 . C . . N 0 . . . 1 no no . . . . 16.728 . 37.892 . 56.648 . 2.562 0.338 10.064 20 . 19188 OLA HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 no no . . . . 18.333 . 31.498 . 52.862 . 2.329 -0.275 -9.995 21 . 19188 OLA H21 H21 H21 1H2 . H . . N 0 . . . 1 no no . . . . 19.546 . 32.693 . 54.418 . 1.718 1.369 -6.763 22 . 19188 OLA H22 H22 H22 2H2 . H . . N 0 . . . 1 no no . . . . 20.828 . 32.585 . 53.263 . 2.421 -0.204 -6.319 23 . 19188 OLA H31 H31 H31 1H3 . H . . N 0 . . . 1 no no . . . . 20.878 . 35.197 . 53.298 . 0.143 -1.135 -6.015 24 . 19188 OLA H32 H32 H32 2H3 . H . . N 0 . . . 1 no no . . . . 19.821 . 35.115 . 54.637 . -0.559 0.438 -6.459 25 . 19188 OLA H41 H41 H41 1H4 . H . . N 0 . . . 1 no no . . . . 21.552 . 33.584 . 55.899 . 0.594 1.496 -4.536 26 . 19188 OLA H42 H42 H42 2H4 . H . . N 0 . . . 1 no no . . . . 22.597 . 33.661 . 54.573 . 1.297 -0.077 -4.092 27 . 19188 OLA H51 H51 H51 1H5 . H . . N 0 . . . 1 no no . . . . 22.508 . 36.291 . 54.700 . -0.980 -1.009 -3.787 28 . 19188 OLA H52 H52 H52 2H5 . H . . N 0 . . . 1 no no . . . . 21.540 . 36.153 . 56.106 . -1.683 0.564 -4.231 29 . 19188 OLA H61 H61 H61 1H6 . H . . N 0 . . . 1 no no . . . . 24.461 . 35.359 . 55.755 . -0.529 1.622 -2.308 30 . 19188 OLA H62 H62 H62 2H6 . H . . N 0 . . . 1 no no . . . . 23.811 . 36.544 . 56.803 . 0.173 0.048 -1.864 31 . 19188 OLA H71 H71 H71 1H7 . H . . N 0 . . . 1 no no . . . . 23.190 . 33.533 . 57.156 . -2.104 -0.882 -1.559 32 . 19188 OLA H72 H72 H72 2H7 . H . . N 0 . . . 1 no no . . . . 24.565 . 34.248 . 57.840 . -2.807 0.691 -2.003 33 . 19188 OLA H81 H81 H81 1H8 . H . . N 0 . . . 1 no no . . . . 23.046 . 36.028 . 59.041 . -1.653 1.748 -0.080 34 . 19188 OLA H82 H82 H82 2H8 . H . . N 0 . . . 1 no no . . . . 21.667 . 35.315 . 58.353 . -0.950 0.175 0.363 35 . 19188 OLA H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . 23.338 . 33.198 . 59.852 . -4.021 0.635 0.297 36 . 19188 OLA H10 H10 H10 H10 . H . . N 0 . . . 1 no no . . . . 21.739 . 33.296 . 61.572 . -3.871 -0.685 2.286 37 . 19188 OLA H111 H111 H111 1H11 . H . . N 0 . . . 0 no no . . . . 20.956 . 35.679 . 62.066 . -0.852 -0.109 1.837 38 . 19188 OLA H112 H112 H112 2H11 . H . . N 0 . . . 0 no no . . . . 21.070 . 36.080 . 60.391 . -1.433 -1.708 2.357 39 . 19188 OLA H121 H121 H121 1H12 . H . . N 0 . . . 0 no no . . . . 18.986 . 34.227 . 61.635 . -2.376 -0.696 4.415 40 . 19188 OLA H122 H122 H122 2H12 . H . . N 0 . . . 0 no no . . . . 18.750 . 35.873 . 61.256 . -1.795 0.903 3.894 41 . 19188 OLA H131 H131 H131 1H13 . H . . N 0 . . . 0 no no . . . . 19.057 . 35.454 . 58.780 . 0.536 0.060 3.906 42 . 19188 OLA H132 H132 H132 2H13 . H . . N 0 . . . 0 no no . . . . 19.637 . 33.887 . 59.036 . -0.044 -1.539 4.427 43 . 19188 OLA H141 H141 H141 1H14 . H . . N 0 . . . 0 no no . . . . 17.493 . 32.974 . 59.593 . -0.987 -0.527 6.485 44 . 19188 OLA H142 H142 H142 2H14 . H . . N 0 . . . 0 no no . . . . 16.969 . 34.366 . 60.419 . -0.406 1.072 5.964 45 . 19188 OLA H151 H151 H151 1H15 . H . . N 0 . . . 0 no no . . . . 16.585 . 33.649 . 57.581 . 1.925 0.229 5.976 46 . 19188 OLA H152 H152 H152 2H15 . H . . N 0 . . . 0 no no . . . . 15.667 . 34.712 . 58.544 . 1.344 -1.370 6.497 47 . 19188 OLA H161 H161 H161 1H16 . H . . N 0 . . . 0 no no . . . . 17.850 . 36.349 . 58.276 . 0.401 -0.357 8.555 48 . 19188 OLA H162 H162 H162 2H16 . H . . N 0 . . . 0 no no . . . . 18.198 . 35.353 . 56.945 . 0.983 1.241 8.034 49 . 19188 OLA H171 H171 H171 1H17 . H . . N 0 . . . 0 no no . . . . 16.150 . 35.968 . 55.726 . 3.314 0.398 8.046 50 . 19188 OLA H172 H172 H172 2H17 . H . . N 0 . . . 0 no no . . . . 15.265 . 36.304 . 57.117 . 2.733 -1.201 8.567 51 . 19188 OLA H181 H181 H181 1H18 . H . . N 0 . . . 0 no no . . . . 15.978 . 38.447 . 56.037 . 3.538 0.126 10.500 52 . 19188 OLA H182 H182 H182 2H18 . H . . N 0 . . . 0 no no . . . . 16.881 . 38.349 . 57.653 . 2.372 1.411 10.104 53 . 19188 OLA H183 H183 H183 3H18 . H . . N 0 . . . 0 no no . . . . 17.767 . 38.013 . 56.262 . 1.791 -0.188 10.625 54 . 19188 OLA stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 O1 no N 1 . 19188 OLA 2 . SING C1 O2 no N 2 . 19188 OLA 3 . SING C1 C2 no N 3 . 19188 OLA 4 . SING O2 HO2 no N 4 . 19188 OLA 5 . SING C2 C3 no N 5 . 19188 OLA 6 . SING C2 H21 no N 6 . 19188 OLA 7 . SING C2 H22 no N 7 . 19188 OLA 8 . SING C3 C4 no N 8 . 19188 OLA 9 . SING C3 H31 no N 9 . 19188 OLA 10 . SING C3 H32 no N 10 . 19188 OLA 11 . SING C4 C5 no N 11 . 19188 OLA 12 . SING C4 H41 no N 12 . 19188 OLA 13 . SING C4 H42 no N 13 . 19188 OLA 14 . SING C5 C6 no N 14 . 19188 OLA 15 . SING C5 H51 no N 15 . 19188 OLA 16 . SING C5 H52 no N 16 . 19188 OLA 17 . SING C6 C7 no N 17 . 19188 OLA 18 . SING C6 H61 no N 18 . 19188 OLA 19 . SING C6 H62 no N 19 . 19188 OLA 20 . SING C7 C8 no N 20 . 19188 OLA 21 . SING C7 H71 no N 21 . 19188 OLA 22 . SING C7 H72 no N 22 . 19188 OLA 23 . SING C8 C9 no N 23 . 19188 OLA 24 . SING C8 H81 no N 24 . 19188 OLA 25 . SING C8 H82 no N 25 . 19188 OLA 26 . DOUB C9 C10 no Z 26 . 19188 OLA 27 . SING C9 H9 no N 27 . 19188 OLA 28 . SING C10 C11 no N 28 . 19188 OLA 29 . SING C10 H10 no N 29 . 19188 OLA 30 . SING C11 C12 no N 30 . 19188 OLA 31 . SING C11 H111 no N 31 . 19188 OLA 32 . SING C11 H112 no N 32 . 19188 OLA 33 . SING C12 C13 no N 33 . 19188 OLA 34 . SING C12 H121 no N 34 . 19188 OLA 35 . SING C12 H122 no N 35 . 19188 OLA 36 . SING C13 C14 no N 36 . 19188 OLA 37 . SING C13 H131 no N 37 . 19188 OLA 38 . SING C13 H132 no N 38 . 19188 OLA 39 . SING C14 C15 no N 39 . 19188 OLA 40 . SING C14 H141 no N 40 . 19188 OLA 41 . SING C14 H142 no N 41 . 19188 OLA 42 . SING C15 C16 no N 42 . 19188 OLA 43 . SING C15 H151 no N 43 . 19188 OLA 44 . SING C15 H152 no N 44 . 19188 OLA 45 . SING C16 C17 no N 45 . 19188 OLA 46 . SING C16 H161 no N 46 . 19188 OLA 47 . SING C16 H162 no N 47 . 19188 OLA 48 . SING C17 C18 no N 48 . 19188 OLA 49 . SING C17 H171 no N 49 . 19188 OLA 50 . SING C17 H172 no N 50 . 19188 OLA 51 . SING C18 H181 no N 51 . 19188 OLA 52 . SING C18 H182 no N 52 . 19188 OLA 53 . SING C18 H183 no N 53 . 19188 OLA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19188 _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 . . 0.5 . . mM . . . . 19188 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 19188 _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 19188 1 pH 6.5 . pH 19188 1 pressure 1 . atm 19188 1 temperature 298 . K 19188 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19188 _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' . . 19188 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19188 1 'data analysis' 19188 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 19188 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with Cryo probe' _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 19188 _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' . . 19188 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 19188 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19188 1 2 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19188 1 3 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19188 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19188 1 5 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19188 1 6 'standard Heteronuclear 15N NOE' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19188 1 7 'standard Heteronuclear 15N T1' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19188 1 8 'standard Heteronuclear 15N T2' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19188 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19188 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRView _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19188 _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 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 . . . . . . . . . 19188 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 external direct 1 . . . . . . . . . 19188 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . . . . . . . 19188 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 19188 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19188 1 2 '3D CBCA(CO)NH' . . . 19188 1 3 '3D HNCACB' . . . 19188 1 4 '3D HNCO' . . . 19188 1 5 '3D HBHA(CO)NH' . . . 19188 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 HA H 1 4.186 0.02 . 1 . . . . -2 R HA . 19188 1 2 . 1 1 2 2 ARG C C 13 176.659 0.3 . 1 . . . . -2 R C . 19188 1 3 . 1 1 2 2 ARG CA C 13 56.476 0.3 . 1 . . . . -2 R CA . 19188 1 4 . 1 1 2 2 ARG CB C 13 30.701 0.3 . 1 . . . . -2 R CB . 19188 1 5 . 1 1 3 3 GLY H H 1 8.418 0.02 . 1 . . . . -1 G H . 19188 1 6 . 1 1 3 3 GLY HA2 H 1 3.813 0.02 . 2 . . . . -1 G HA* . 19188 1 7 . 1 1 3 3 GLY HA3 H 1 3.813 0.02 . 2 . . . . -1 G HA* . 19188 1 8 . 1 1 3 3 GLY C C 13 173.959 0.3 . 1 . . . . -1 G C . 19188 1 9 . 1 1 3 3 GLY CA C 13 45.171 0.3 . 1 . . . . -1 G CA . 19188 1 10 . 1 1 3 3 GLY N N 15 109.743 0.2 . 1 . . . . -1 G N . 19188 1 11 . 1 1 4 4 SER H H 1 8.077 0.02 . 1 . . . . 0 S H . 19188 1 12 . 1 1 4 4 SER HA H 1 4.264 0.02 . 1 . . . . 0 S HA . 19188 1 13 . 1 1 4 4 SER C C 13 174.384 0.3 . 1 . . . . 0 S C . 19188 1 14 . 1 1 4 4 SER CA C 13 58.512 0.3 . 1 . . . . 0 S CA . 19188 1 15 . 1 1 4 4 SER CB C 13 64.096 0.3 . 1 . . . . 0 S CB . 19188 1 16 . 1 1 4 4 SER N N 15 114.069 0.2 . 1 . . . . 0 S N . 19188 1 17 . 1 1 5 5 MET H H 1 8.326 0.02 . 1 . . . . 1 M H . 19188 1 18 . 1 1 5 5 MET HA H 1 4.323 0.02 . 1 . . . . 1 M HA . 19188 1 19 . 1 1 5 5 MET C C 13 175.742 0.3 . 1 . . . . 1 M C . 19188 1 20 . 1 1 5 5 MET CA C 13 55.235 0.3 . 1 . . . . 1 M CA . 19188 1 21 . 1 1 5 5 MET CB C 13 33.024 0.3 . 1 . . . . 1 M CB . 19188 1 22 . 1 1 5 5 MET N N 15 120.916 0.2 . 1 . . . . 1 M N . 19188 1 23 . 1 1 6 6 SER H H 1 8.016 0.02 . 1 . . . . 2 S H . 19188 1 24 . 1 1 6 6 SER HA H 1 4.513 0.02 . 1 . . . . 2 S HA . 19188 1 25 . 1 1 6 6 SER C C 13 175.21 0.3 . 1 . . . . 2 S C . 19188 1 26 . 1 1 6 6 SER CA C 13 57.459 0.3 . 1 . . . . 2 S CA . 19188 1 27 . 1 1 6 6 SER CB C 13 64.232 0.3 . 1 . . . . 2 S CB . 19188 1 28 . 1 1 6 6 SER N N 15 115.362 0.2 . 1 . . . . 2 S N . 19188 1 29 . 1 1 7 7 PHE H H 1 9.439 0.02 . 1 . . . . 3 F H . 19188 1 30 . 1 1 7 7 PHE HA H 1 4.137 0.02 . 1 . . . . 3 F HA . 19188 1 31 . 1 1 7 7 PHE C C 13 177.957 0.3 . 1 . . . . 3 F C . 19188 1 32 . 1 1 7 7 PHE CA C 13 60.062 0.3 . 1 . . . . 3 F CA . 19188 1 33 . 1 1 7 7 PHE CB C 13 40.768 0.3 . 1 . . . . 3 F CB . 19188 1 34 . 1 1 7 7 PHE N N 15 120.901 0.2 . 1 . . . . 3 F N . 19188 1 35 . 1 1 8 8 SER H H 1 8.269 0.02 . 1 . . . . 4 S H . 19188 1 36 . 1 1 8 8 SER HA H 1 4.253 0.02 . 1 . . . . 4 S HA . 19188 1 37 . 1 1 8 8 SER C C 13 174.32 0.3 . 1 . . . . 4 S C . 19188 1 38 . 1 1 8 8 SER CA C 13 60.223 0.3 . 1 . . . . 4 S CA . 19188 1 39 . 1 1 8 8 SER CB C 13 63.911 0.3 . 1 . . . . 4 S CB . 19188 1 40 . 1 1 8 8 SER N N 15 115.674 0.2 . 1 . . . . 4 S N . 19188 1 41 . 1 1 9 9 GLY H H 1 8.959 0.02 . 1 . . . . 5 G H . 19188 1 42 . 1 1 9 9 GLY HA2 H 1 3.697 0.02 . 2 . . . . 5 G HA* . 19188 1 43 . 1 1 9 9 GLY HA3 H 1 3.697 0.02 . 2 . . . . 5 G HA* . 19188 1 44 . 1 1 9 9 GLY C C 13 170.36 0.3 . 1 . . . . 5 G C . 19188 1 45 . 1 1 9 9 GLY CA C 13 45.051 0.3 . 1 . . . . 5 G CA . 19188 1 46 . 1 1 9 9 GLY N N 15 109.669 0.2 . 1 . . . . 5 G N . 19188 1 47 . 1 1 10 10 LYS H H 1 8.007 0.02 . 1 . . . . 6 K H . 19188 1 48 . 1 1 10 10 LYS HA H 1 4.918 0.02 . 1 . . . . 6 K HA . 19188 1 49 . 1 1 10 10 LYS C C 13 174.796 0.3 . 1 . . . . 6 K C . 19188 1 50 . 1 1 10 10 LYS CA C 13 55.424 0.3 . 1 . . . . 6 K CA . 19188 1 51 . 1 1 10 10 LYS CB C 13 35.062 0.3 . 1 . . . . 6 K CB . 19188 1 52 . 1 1 10 10 LYS N N 15 117.933 0.2 . 1 . . . . 6 K N . 19188 1 53 . 1 1 11 11 TYR H H 1 9.276 0.02 . 1 . . . . 7 Y H . 19188 1 54 . 1 1 11 11 TYR HA H 1 4.945 0.02 . 1 . . . . 7 Y HA . 19188 1 55 . 1 1 11 11 TYR C C 13 174.545 0.3 . 1 . . . . 7 Y C . 19188 1 56 . 1 1 11 11 TYR CA C 13 56.619 0.3 . 1 . . . . 7 Y CA . 19188 1 57 . 1 1 11 11 TYR CB C 13 41.263 0.3 . 1 . . . . 7 Y CB . 19188 1 58 . 1 1 11 11 TYR N N 15 119.418 0.2 . 1 . . . . 7 Y N . 19188 1 59 . 1 1 12 12 GLN H H 1 8.896 0.02 . 1 . . . . 8 Q H . 19188 1 60 . 1 1 12 12 GLN HA H 1 4.792 0.02 . 1 . . . . 8 Q HA . 19188 1 61 . 1 1 12 12 GLN C C 13 176.17 0.3 . 1 . . . . 8 Q C . 19188 1 62 . 1 1 12 12 GLN CA C 13 53.868 0.3 . 1 . . . . 8 Q CA . 19188 1 63 . 1 1 12 12 GLN CB C 13 31.054 0.3 . 1 . . . . 8 Q CB . 19188 1 64 . 1 1 12 12 GLN N N 15 122.364 0.2 . 1 . . . . 8 Q N . 19188 1 65 . 1 1 13 13 LEU H H 1 8.596 0.02 . 1 . . . . 9 L H . 19188 1 66 . 1 1 13 13 LEU HA H 1 4.426 0.02 . 1 . . . . 9 L HA . 19188 1 67 . 1 1 13 13 LEU C C 13 176.075 0.3 . 1 . . . . 9 L C . 19188 1 68 . 1 1 13 13 LEU CA C 13 57.016 0.3 . 1 . . . . 9 L CA . 19188 1 69 . 1 1 13 13 LEU CB C 13 42.698 0.3 . 1 . . . . 9 L CB . 19188 1 70 . 1 1 13 13 LEU N N 15 133.011 0.2 . 1 . . . . 9 L N . 19188 1 71 . 1 1 14 14 GLN H H 1 9.968 0.02 . 1 . . . . 10 Q H . 19188 1 72 . 1 1 14 14 GLN HA H 1 4.313 0.02 . 1 . . . . 10 Q HA . 19188 1 73 . 1 1 14 14 GLN C C 13 176.136 0.3 . 1 . . . . 10 Q C . 19188 1 74 . 1 1 14 14 GLN CA C 13 56.447 0.3 . 1 . . . . 10 Q CA . 19188 1 75 . 1 1 14 14 GLN CB C 13 31.374 0.3 . 1 . . . . 10 Q CB . 19188 1 76 . 1 1 14 14 GLN N N 15 124.521 0.2 . 1 . . . . 10 Q N . 19188 1 77 . 1 1 15 15 SER H H 1 7.886 0.02 . 1 . . . . 11 S H . 19188 1 78 . 1 1 15 15 SER HA H 1 4.484 0.02 . 1 . . . . 11 S HA . 19188 1 79 . 1 1 15 15 SER C C 13 171.538 0.3 . 1 . . . . 11 S C . 19188 1 80 . 1 1 15 15 SER CA C 13 57.608 0.3 . 1 . . . . 11 S CA . 19188 1 81 . 1 1 15 15 SER CB C 13 64.964 0.3 . 1 . . . . 11 S CB . 19188 1 82 . 1 1 15 15 SER N N 15 109.329 0.2 . 1 . . . . 11 S N . 19188 1 83 . 1 1 16 16 GLN H H 1 8.438 0.02 . 1 . . . . 12 Q H . 19188 1 84 . 1 1 16 16 GLN HA H 1 5.388 0.02 . 1 . . . . 12 Q HA . 19188 1 85 . 1 1 16 16 GLN C C 13 174.445 0.3 . 1 . . . . 12 Q C . 19188 1 86 . 1 1 16 16 GLN CA C 13 54.811 0.3 . 1 . . . . 12 Q CA . 19188 1 87 . 1 1 16 16 GLN CB C 13 33.493 0.3 . 1 . . . . 12 Q CB . 19188 1 88 . 1 1 16 16 GLN N N 15 115.464 0.2 . 1 . . . . 12 Q N . 19188 1 89 . 1 1 17 17 GLU H H 1 9.081 0.02 . 1 . . . . 13 E H . 19188 1 90 . 1 1 17 17 GLU HA H 1 4.684 0.02 . 1 . . . . 13 E HA . 19188 1 91 . 1 1 17 17 GLU C C 13 175.908 0.3 . 1 . . . . 13 E C . 19188 1 92 . 1 1 17 17 GLU CA C 13 54.934 0.3 . 1 . . . . 13 E CA . 19188 1 93 . 1 1 17 17 GLU CB C 13 33.824 0.3 . 1 . . . . 13 E CB . 19188 1 94 . 1 1 17 17 GLU N N 15 120.645 0.2 . 1 . . . . 13 E N . 19188 1 95 . 1 1 18 18 ASN H H 1 9.172 0.02 . 1 . . . . 14 N H . 19188 1 96 . 1 1 18 18 ASN HA H 1 4.872 0.02 . 1 . . . . 14 N HA . 19188 1 97 . 1 1 18 18 ASN C C 13 174.39 0.3 . 1 . . . . 14 N C . 19188 1 98 . 1 1 18 18 ASN CA C 13 54.831 0.3 . 1 . . . . 14 N CA . 19188 1 99 . 1 1 18 18 ASN CB C 13 36.052 0.3 . 1 . . . . 14 N CB . 19188 1 100 . 1 1 18 18 ASN N N 15 114.739 0.2 . 1 . . . . 14 N N . 19188 1 101 . 1 1 19 19 PHE H H 1 8.388 0.02 . 1 . . . . 15 F H . 19188 1 102 . 1 1 19 19 PHE HA H 1 3.274 0.02 . 1 . . . . 15 F HA . 19188 1 103 . 1 1 19 19 PHE C C 13 176.602 0.3 . 1 . . . . 15 F C . 19188 1 104 . 1 1 19 19 PHE CA C 13 62.468 0.3 . 1 . . . . 15 F CA . 19188 1 105 . 1 1 19 19 PHE CB C 13 40.053 0.3 . 1 . . . . 15 F CB . 19188 1 106 . 1 1 19 19 PHE N N 15 116.738 0.2 . 1 . . . . 15 F N . 19188 1 107 . 1 1 20 20 GLU H H 1 9.399 0.02 . 1 . . . . 16 E H . 19188 1 108 . 1 1 20 20 GLU HA H 1 3.409 0.02 . 1 . . . . 16 E HA . 19188 1 109 . 1 1 20 20 GLU C C 13 178.144 0.3 . 1 . . . . 16 E C . 19188 1 110 . 1 1 20 20 GLU CA C 13 61.167 0.3 . 1 . . . . 16 E CA . 19188 1 111 . 1 1 20 20 GLU CB C 13 29.148 0.3 . 1 . . . . 16 E CB . 19188 1 112 . 1 1 20 20 GLU N N 15 116.699 0.2 . 1 . . . . 16 E N . 19188 1 113 . 1 1 21 21 ALA H H 1 8.154 0.02 . 1 . . . . 17 A H . 19188 1 114 . 1 1 21 21 ALA HA H 1 3.773 0.02 . 1 . . . . 17 A HA . 19188 1 115 . 1 1 21 21 ALA C C 13 180.629 0.3 . 1 . . . . 17 A C . 19188 1 116 . 1 1 21 21 ALA CA C 13 54.917 0.3 . 1 . . . . 17 A CA . 19188 1 117 . 1 1 21 21 ALA CB C 13 18.504 0.3 . 1 . . . . 17 A CB . 19188 1 118 . 1 1 21 21 ALA N N 15 118.351 0.2 . 1 . . . . 17 A N . 19188 1 119 . 1 1 22 22 PHE H H 1 7.721 0.02 . 1 . . . . 18 F H . 19188 1 120 . 1 1 22 22 PHE HA H 1 3.618 0.02 . 1 . . . . 18 F HA . 19188 1 121 . 1 1 22 22 PHE C C 13 175.854 0.3 . 1 . . . . 18 F C . 19188 1 122 . 1 1 22 22 PHE CA C 13 62.242 0.3 . 1 . . . . 18 F CA . 19188 1 123 . 1 1 22 22 PHE CB C 13 40.106 0.3 . 1 . . . . 18 F CB . 19188 1 124 . 1 1 22 22 PHE N N 15 116.619 0.2 . 1 . . . . 18 F N . 19188 1 125 . 1 1 23 23 MET H H 1 8.093 0.02 . 1 . . . . 19 M H . 19188 1 126 . 1 1 23 23 MET HA H 1 3.876 0.02 . 1 . . . . 19 M HA . 19188 1 127 . 1 1 23 23 MET C C 13 178.84 0.3 . 1 . . . . 19 M C . 19188 1 128 . 1 1 23 23 MET CA C 13 55.905 0.3 . 1 . . . . 19 M CA . 19188 1 129 . 1 1 23 23 MET CB C 13 30.949 0.3 . 1 . . . . 19 M CB . 19188 1 130 . 1 1 23 23 MET N N 15 112.847 0.2 . 1 . . . . 19 M N . 19188 1 131 . 1 1 24 24 LYS H H 1 8.056 0.02 . 1 . . . . 20 K H . 19188 1 132 . 1 1 24 24 LYS HA H 1 3.745 0.02 . 1 . . . . 20 K HA . 19188 1 133 . 1 1 24 24 LYS C C 13 180.087 0.3 . 1 . . . . 20 K C . 19188 1 134 . 1 1 24 24 LYS CA C 13 59.191 0.3 . 1 . . . . 20 K CA . 19188 1 135 . 1 1 24 24 LYS CB C 13 32.313 0.3 . 1 . . . . 20 K CB . 19188 1 136 . 1 1 24 24 LYS N N 15 118.341 0.2 . 1 . . . . 20 K N . 19188 1 137 . 1 1 25 25 ALA H H 1 7.234 0.02 . 1 . . . . 21 A H . 19188 1 138 . 1 1 25 25 ALA HA H 1 3.81 0.02 . 1 . . . . 21 A HA . 19188 1 139 . 1 1 25 25 ALA C C 13 179.84 0.3 . 1 . . . . 21 A C . 19188 1 140 . 1 1 25 25 ALA CA C 13 54.837 0.3 . 1 . . . . 21 A CA . 19188 1 141 . 1 1 25 25 ALA CB C 13 18.289 0.3 . 1 . . . . 21 A CB . 19188 1 142 . 1 1 25 25 ALA N N 15 121.121 0.2 . 1 . . . . 21 A N . 19188 1 143 . 1 1 26 26 ILE H H 1 7.141 0.02 . 1 . . . . 22 I H . 19188 1 144 . 1 1 26 26 ILE HA H 1 4.001 0.02 . 1 . . . . 22 I HA . 19188 1 145 . 1 1 26 26 ILE C C 13 176.128 0.3 . 1 . . . . 22 I C . 19188 1 146 . 1 1 26 26 ILE CA C 13 61.002 0.3 . 1 . . . . 22 I CA . 19188 1 147 . 1 1 26 26 ILE CB C 13 38.04 0.3 . 1 . . . . 22 I CB . 19188 1 148 . 1 1 26 26 ILE N N 15 108.402 0.2 . 1 . . . . 22 I N . 19188 1 149 . 1 1 27 27 GLY H H 1 7.226 0.02 . 1 . . . . 23 G H . 19188 1 150 . 1 1 27 27 GLY HA2 H 1 3.905 0.02 . 2 . . . . 23 G HA2 . 19188 1 151 . 1 1 27 27 GLY HA3 H 1 3.475 0.02 . 2 . . . . 23 G HA3 . 19188 1 152 . 1 1 27 27 GLY C C 13 175.288 0.3 . 1 . . . . 23 G C . 19188 1 153 . 1 1 27 27 GLY CA C 13 45.693 0.3 . 1 . . . . 23 G CA . 19188 1 154 . 1 1 27 27 GLY N N 15 106.851 0.2 . 1 . . . . 23 G N . 19188 1 155 . 1 1 28 28 LEU H H 1 7.777 0.02 . 1 . . . . 24 L H . 19188 1 156 . 1 1 28 28 LEU CA C 13 53.673 0.3 . 1 . . . . 24 L CA . 19188 1 157 . 1 1 28 28 LEU CB C 13 42.728 0.3 . 1 . . . . 24 L CB . 19188 1 158 . 1 1 28 28 LEU N N 15 123.703 0.2 . 1 . . . . 24 L N . 19188 1 159 . 1 1 29 29 PRO HA H 1 4.152 0.02 . 1 . . . . 25 P HA . 19188 1 160 . 1 1 29 29 PRO C C 13 177.809 0.3 . 1 . . . . 25 P C . 19188 1 161 . 1 1 29 29 PRO CA C 13 63.412 0.3 . 1 . . . . 25 P CA . 19188 1 162 . 1 1 29 29 PRO CB C 13 32.725 0.3 . 1 . . . . 25 P CB . 19188 1 163 . 1 1 30 30 GLU H H 1 8.626 0.02 . 1 . . . . 26 E H . 19188 1 164 . 1 1 30 30 GLU HA H 1 3.668 0.02 . 1 . . . . 26 E HA . 19188 1 165 . 1 1 30 30 GLU C C 13 178.224 0.3 . 1 . . . . 26 E C . 19188 1 166 . 1 1 30 30 GLU CA C 13 59.927 0.3 . 1 . . . . 26 E CA . 19188 1 167 . 1 1 30 30 GLU CB C 13 29.42 0.3 . 1 . . . . 26 E CB . 19188 1 168 . 1 1 30 30 GLU N N 15 123.715 0.2 . 1 . . . . 26 E N . 19188 1 169 . 1 1 31 31 GLU H H 1 9.178 0.02 . 1 . . . . 27 E H . 19188 1 170 . 1 1 31 31 GLU HA H 1 3.911 0.02 . 1 . . . . 27 E HA . 19188 1 171 . 1 1 31 31 GLU C C 13 179.018 0.3 . 1 . . . . 27 E C . 19188 1 172 . 1 1 31 31 GLU CA C 13 59.714 0.3 . 1 . . . . 27 E CA . 19188 1 173 . 1 1 31 31 GLU CB C 13 29.137 0.3 . 1 . . . . 27 E CB . 19188 1 174 . 1 1 31 31 GLU N N 15 116.025 0.2 . 1 . . . . 27 E N . 19188 1 175 . 1 1 32 32 LEU H H 1 7.013 0.02 . 1 . . . . 28 L H . 19188 1 176 . 1 1 32 32 LEU HA H 1 4.029 0.02 . 1 . . . . 28 L HA . 19188 1 177 . 1 1 32 32 LEU C C 13 179.184 0.3 . 1 . . . . 28 L C . 19188 1 178 . 1 1 32 32 LEU CA C 13 57.141 0.3 . 1 . . . . 28 L CA . 19188 1 179 . 1 1 32 32 LEU CB C 13 41.498 0.3 . 1 . . . . 28 L CB . 19188 1 180 . 1 1 32 32 LEU N N 15 116.045 0.2 . 1 . . . . 28 L N . 19188 1 181 . 1 1 33 33 ILE H H 1 7.633 0.02 . 1 . . . . 29 I H . 19188 1 182 . 1 1 33 33 ILE HA H 1 3.368 0.02 . 1 . . . . 29 I HA . 19188 1 183 . 1 1 33 33 ILE C C 13 178.051 0.3 . 1 . . . . 29 I C . 19188 1 184 . 1 1 33 33 ILE CA C 13 66.488 0.3 . 1 . . . . 29 I CA . 19188 1 185 . 1 1 33 33 ILE CB C 13 37.783 0.3 . 1 . . . . 29 I CB . 19188 1 186 . 1 1 33 33 ILE N N 15 119.466 0.2 . 1 . . . . 29 I N . 19188 1 187 . 1 1 34 34 GLN H H 1 8.018 0.02 . 1 . . . . 30 Q H . 19188 1 188 . 1 1 34 34 GLN HA H 1 3.719 0.02 . 1 . . . . 30 Q HA . 19188 1 189 . 1 1 34 34 GLN C C 13 178.583 0.3 . 1 . . . . 30 Q C . 19188 1 190 . 1 1 34 34 GLN CA C 13 58.502 0.3 . 1 . . . . 30 Q CA . 19188 1 191 . 1 1 34 34 GLN CB C 13 27.894 0.3 . 1 . . . . 30 Q CB . 19188 1 192 . 1 1 34 34 GLN N N 15 114.212 0.2 . 1 . . . . 30 Q N . 19188 1 193 . 1 1 35 35 LYS H H 1 7.368 0.02 . 1 . . . . 31 K H . 19188 1 194 . 1 1 35 35 LYS HA H 1 4.006 0.02 . 1 . . . . 31 K HA . 19188 1 195 . 1 1 35 35 LYS C C 13 179.245 0.3 . 1 . . . . 31 K C . 19188 1 196 . 1 1 35 35 LYS CA C 13 58.511 0.3 . 1 . . . . 31 K CA . 19188 1 197 . 1 1 35 35 LYS CB C 13 33.814 0.3 . 1 . . . . 31 K CB . 19188 1 198 . 1 1 35 35 LYS N N 15 114.26 0.2 . 1 . . . . 31 K N . 19188 1 199 . 1 1 36 36 GLY H H 1 8.267 0.02 . 1 . . . . 32 G H . 19188 1 200 . 1 1 36 36 GLY HA2 H 1 3.344 0.02 . 2 . . . . 32 G HA2 . 19188 1 201 . 1 1 36 36 GLY HA3 H 1 3.781 0.02 . 2 . . . . 32 G HA3 . 19188 1 202 . 1 1 36 36 GLY C C 13 175.563 0.3 . 1 . . . . 32 G C . 19188 1 203 . 1 1 36 36 GLY CA C 13 46.562 0.3 . 1 . . . . 32 G CA . 19188 1 204 . 1 1 36 36 GLY N N 15 103.952 0.2 . 1 . . . . 32 G N . 19188 1 205 . 1 1 37 37 LYS H H 1 7.508 0.02 . 1 . . . . 33 K H . 19188 1 206 . 1 1 37 37 LYS C C 13 176.11 0.3 . 1 . . . . 33 K C . 19188 1 207 . 1 1 37 37 LYS CA C 13 59.021 0.3 . 1 . . . . 33 K CA . 19188 1 208 . 1 1 37 37 LYS CB C 13 31.624 0.3 . 1 . . . . 33 K CB . 19188 1 209 . 1 1 37 37 LYS N N 15 117.65 0.2 . 1 . . . . 33 K N . 19188 1 210 . 1 1 38 38 ASP H H 1 7.454 0.02 . 1 . . . . 34 D H . 19188 1 211 . 1 1 38 38 ASP HA H 1 4.694 0.02 . 1 . . . . 34 D HA . 19188 1 212 . 1 1 38 38 ASP C C 13 175.892 0.3 . 1 . . . . 34 D C . 19188 1 213 . 1 1 38 38 ASP CA C 13 54.276 0.3 . 1 . . . . 34 D CA . 19188 1 214 . 1 1 38 38 ASP CB C 13 41.836 0.3 . 1 . . . . 34 D CB . 19188 1 215 . 1 1 38 38 ASP N N 15 116.084 0.2 . 1 . . . . 34 D N . 19188 1 216 . 1 1 39 39 ILE H H 1 6.797 0.02 . 1 . . . . 35 I H . 19188 1 217 . 1 1 39 39 ILE C C 13 176.72 0.3 . 1 . . . . 35 I C . 19188 1 218 . 1 1 39 39 ILE CA C 13 62.078 0.3 . 1 . . . . 35 I CA . 19188 1 219 . 1 1 39 39 ILE CB C 13 38.625 0.3 . 1 . . . . 35 I CB . 19188 1 220 . 1 1 39 39 ILE N N 15 118.932 0.2 . 1 . . . . 35 I N . 19188 1 221 . 1 1 40 40 LYS H H 1 8.804 0.02 . 1 . . . . 36 K H . 19188 1 222 . 1 1 40 40 LYS HA H 1 4.426 0.02 . 1 . . . . 36 K HA . 19188 1 223 . 1 1 40 40 LYS C C 13 175.346 0.3 . 1 . . . . 36 K C . 19188 1 224 . 1 1 40 40 LYS CA C 13 55.115 0.3 . 1 . . . . 36 K CA . 19188 1 225 . 1 1 40 40 LYS CB C 13 31.353 0.3 . 1 . . . . 36 K CB . 19188 1 226 . 1 1 40 40 LYS N N 15 129.009 0.2 . 1 . . . . 36 K N . 19188 1 227 . 1 1 41 41 GLY H H 1 7.113 0.02 . 1 . . . . 37 G H . 19188 1 228 . 1 1 41 41 GLY HA2 H 1 3.95 0.02 . 2 . . . . 37 G HA2 . 19188 1 229 . 1 1 41 41 GLY HA3 H 1 4.322 0.02 . 2 . . . . 37 G HA3 . 19188 1 230 . 1 1 41 41 GLY C C 13 171.801 0.3 . 1 . . . . 37 G C . 19188 1 231 . 1 1 41 41 GLY CA C 13 44.997 0.3 . 1 . . . . 37 G CA . 19188 1 232 . 1 1 41 41 GLY N N 15 111.022 0.2 . 1 . . . . 37 G N . 19188 1 233 . 1 1 42 42 VAL H H 1 7.389 0.02 . 1 . . . . 38 V H . 19188 1 234 . 1 1 42 42 VAL HA H 1 4.945 0.02 . 1 . . . . 38 V HA . 19188 1 235 . 1 1 42 42 VAL C C 13 176.15 0.3 . 1 . . . . 38 V C . 19188 1 236 . 1 1 42 42 VAL CA C 13 60.518 0.3 . 1 . . . . 38 V CA . 19188 1 237 . 1 1 42 42 VAL CB C 13 35.878 0.3 . 1 . . . . 38 V CB . 19188 1 238 . 1 1 42 42 VAL N N 15 115.323 0.2 . 1 . . . . 38 V N . 19188 1 239 . 1 1 43 43 SER H H 1 8.893 0.02 . 1 . . . . 39 S H . 19188 1 240 . 1 1 43 43 SER HA H 1 5.502 0.02 . 1 . . . . 39 S HA . 19188 1 241 . 1 1 43 43 SER C C 13 172.761 0.3 . 1 . . . . 39 S C . 19188 1 242 . 1 1 43 43 SER CA C 13 56.728 0.3 . 1 . . . . 39 S CA . 19188 1 243 . 1 1 43 43 SER CB C 13 65.762 0.3 . 1 . . . . 39 S CB . 19188 1 244 . 1 1 43 43 SER N N 15 122.351 0.2 . 1 . . . . 39 S N . 19188 1 245 . 1 1 44 44 GLU H H 1 9.378 0.02 . 1 . . . . 40 E H . 19188 1 246 . 1 1 44 44 GLU HA H 1 5.339 0.02 . 1 . . . . 40 E HA . 19188 1 247 . 1 1 44 44 GLU C C 13 175.176 0.3 . 1 . . . . 40 E C . 19188 1 248 . 1 1 44 44 GLU CA C 13 54.734 0.3 . 1 . . . . 40 E CA . 19188 1 249 . 1 1 44 44 GLU CB C 13 33.109 0.3 . 1 . . . . 40 E CB . 19188 1 250 . 1 1 44 44 GLU N N 15 123.867 0.2 . 1 . . . . 40 E N . 19188 1 251 . 1 1 45 45 ILE H H 1 9.384 0.02 . 1 . . . . 41 I H . 19188 1 252 . 1 1 45 45 ILE HA H 1 4.281 0.02 . 1 . . . . 41 I HA . 19188 1 253 . 1 1 45 45 ILE C C 13 175.773 0.3 . 1 . . . . 41 I C . 19188 1 254 . 1 1 45 45 ILE CA C 13 60.55 0.3 . 1 . . . . 41 I CA . 19188 1 255 . 1 1 45 45 ILE CB C 13 40.891 0.3 . 1 . . . . 41 I CB . 19188 1 256 . 1 1 45 45 ILE N N 15 123.851 0.2 . 1 . . . . 41 I N . 19188 1 257 . 1 1 46 46 VAL H H 1 9.053 0.02 . 1 . . . . 42 V H . 19188 1 258 . 1 1 46 46 VAL HA H 1 3.999 0.02 . 1 . . . . 42 V HA . 19188 1 259 . 1 1 46 46 VAL C C 13 174.147 0.3 . 1 . . . . 42 V C . 19188 1 260 . 1 1 46 46 VAL CA C 13 62.533 0.3 . 1 . . . . 42 V CA . 19188 1 261 . 1 1 46 46 VAL CB C 13 33.763 0.3 . 1 . . . . 42 V CB . 19188 1 262 . 1 1 46 46 VAL N N 15 127.981 0.2 . 1 . . . . 42 V N . 19188 1 263 . 1 1 47 47 GLN H H 1 8.503 0.02 . 1 . . . . 43 Q H . 19188 1 264 . 1 1 47 47 GLN HA H 1 4.237 0.02 . 1 . . . . 43 Q HA . 19188 1 265 . 1 1 47 47 GLN C C 13 174.685 0.3 . 1 . . . . 43 Q C . 19188 1 266 . 1 1 47 47 GLN CA C 13 53.786 0.3 . 1 . . . . 43 Q CA . 19188 1 267 . 1 1 47 47 GLN CB C 13 29.687 0.3 . 1 . . . . 43 Q CB . 19188 1 268 . 1 1 47 47 GLN N N 15 130.113 0.2 . 1 . . . . 43 Q N . 19188 1 269 . 1 1 48 48 ASN H H 1 8.962 0.02 . 1 . . . . 44 N H . 19188 1 270 . 1 1 48 48 ASN C C 13 175.3 0.3 . 1 . . . . 44 N C . 19188 1 271 . 1 1 48 48 ASN CA C 13 52.015 0.3 . 1 . . . . 44 N CA . 19188 1 272 . 1 1 48 48 ASN CB C 13 39.651 0.3 . 1 . . . . 44 N CB . 19188 1 273 . 1 1 48 48 ASN N N 15 126.113 0.2 . 1 . . . . 44 N N . 19188 1 274 . 1 1 49 49 GLY H H 1 8.999 0.02 . 1 . . . . 45 G H . 19188 1 275 . 1 1 49 49 GLY HA2 H 1 3.844 0.02 . 2 . . . . 45 G HA2 . 19188 1 276 . 1 1 49 49 GLY HA3 H 1 3.435 0.02 . 2 . . . . 45 G HA3 . 19188 1 277 . 1 1 49 49 GLY C C 13 173.967 0.3 . 1 . . . . 45 G C . 19188 1 278 . 1 1 49 49 GLY CA C 13 47.53 0.3 . 1 . . . . 45 G CA . 19188 1 279 . 1 1 49 49 GLY N N 15 114.623 0.2 . 1 . . . . 45 G N . 19188 1 280 . 1 1 50 50 LYS H H 1 8.643 0.02 . 1 . . . . 46 K H . 19188 1 281 . 1 1 50 50 LYS HA H 1 4.188 0.02 . 1 . . . . 46 K HA . 19188 1 282 . 1 1 50 50 LYS C C 13 174.768 0.3 . 1 . . . . 46 K C . 19188 1 283 . 1 1 50 50 LYS CA C 13 56.687 0.3 . 1 . . . . 46 K CA . 19188 1 284 . 1 1 50 50 LYS CB C 13 33.513 0.3 . 1 . . . . 46 K CB . 19188 1 285 . 1 1 50 50 LYS N N 15 124.569 0.2 . 1 . . . . 46 K N . 19188 1 286 . 1 1 51 51 HIS H H 1 7.89 0.02 . 1 . . . . 47 H H . 19188 1 287 . 1 1 51 51 HIS HA H 1 4.849 0.02 . 1 . . . . 47 H HA . 19188 1 288 . 1 1 51 51 HIS C C 13 173.515 0.3 . 1 . . . . 47 H C . 19188 1 289 . 1 1 51 51 HIS CA C 13 56.598 0.3 . 1 . . . . 47 H CA . 19188 1 290 . 1 1 51 51 HIS CB C 13 31.869 0.3 . 1 . . . . 47 H CB . 19188 1 291 . 1 1 51 51 HIS N N 15 119.098 0.2 . 1 . . . . 47 H N . 19188 1 292 . 1 1 52 52 PHE H H 1 8.768 0.02 . 1 . . . . 48 F H . 19188 1 293 . 1 1 52 52 PHE HA H 1 4.491 0.02 . 1 . . . . 48 F HA . 19188 1 294 . 1 1 52 52 PHE C C 13 173.907 0.3 . 1 . . . . 48 F C . 19188 1 295 . 1 1 52 52 PHE CA C 13 56.594 0.3 . 1 . . . . 48 F CA . 19188 1 296 . 1 1 52 52 PHE CB C 13 43.481 0.3 . 1 . . . . 48 F CB . 19188 1 297 . 1 1 52 52 PHE N N 15 124.604 0.2 . 1 . . . . 48 F N . 19188 1 298 . 1 1 53 53 LYS H H 1 8.2 0.02 . 1 . . . . 49 K H . 19188 1 299 . 1 1 53 53 LYS HA H 1 4.814 0.02 . 1 . . . . 49 K HA . 19188 1 300 . 1 1 53 53 LYS C C 13 175.506 0.3 . 1 . . . . 49 K C . 19188 1 301 . 1 1 53 53 LYS CA C 13 55.125 0.3 . 1 . . . . 49 K CA . 19188 1 302 . 1 1 53 53 LYS CB C 13 35.633 0.3 . 1 . . . . 49 K CB . 19188 1 303 . 1 1 53 53 LYS N N 15 118.161 0.2 . 1 . . . . 49 K N . 19188 1 304 . 1 1 54 54 PHE H H 1 9.018 0.02 . 1 . . . . 50 F H . 19188 1 305 . 1 1 54 54 PHE HA H 1 5.903 0.02 . 1 . . . . 50 F HA . 19188 1 306 . 1 1 54 54 PHE C C 13 173.071 0.3 . 1 . . . . 50 F C . 19188 1 307 . 1 1 54 54 PHE CA C 13 55.321 0.3 . 1 . . . . 50 F CA . 19188 1 308 . 1 1 54 54 PHE CB C 13 42.958 0.3 . 1 . . . . 50 F CB . 19188 1 309 . 1 1 54 54 PHE N N 15 120.103 0.2 . 1 . . . . 50 F N . 19188 1 310 . 1 1 55 55 THR H H 1 9.167 0.02 . 1 . . . . 51 T H . 19188 1 311 . 1 1 55 55 THR C C 13 173.558 0.3 . 1 . . . . 51 T C . 19188 1 312 . 1 1 55 55 THR CA C 13 60.872 0.3 . 1 . . . . 51 T CA . 19188 1 313 . 1 1 55 55 THR CB C 13 71.67 0.3 . 1 . . . . 51 T CB . 19188 1 314 . 1 1 55 55 THR N N 15 118.616 0.2 . 1 . . . . 51 T N . 19188 1 315 . 1 1 56 56 ILE H H 1 8.846 0.02 . 1 . . . . 52 I H . 19188 1 316 . 1 1 56 56 ILE CA C 13 60.567 0.3 . 1 . . . . 52 I CA . 19188 1 317 . 1 1 56 56 ILE CB C 13 40.875 0.3 . 1 . . . . 52 I CB . 19188 1 318 . 1 1 56 56 ILE N N 15 126.147 0.2 . 1 . . . . 52 I N . 19188 1 319 . 1 1 57 57 THR H H 1 8.27 0.02 . 1 . . . . 53 T H . 19188 1 320 . 1 1 57 57 THR HA H 1 4.885 0.02 . 1 . . . . 53 T HA . 19188 1 321 . 1 1 57 57 THR C C 13 173.923 0.3 . 1 . . . . 53 T C . 19188 1 322 . 1 1 57 57 THR CA C 13 62.184 0.3 . 1 . . . . 53 T CA . 19188 1 323 . 1 1 57 57 THR CB C 13 69.974 0.3 . 1 . . . . 53 T CB . 19188 1 324 . 1 1 57 57 THR N N 15 121.087 0.2 . 1 . . . . 53 T N . 19188 1 325 . 1 1 58 58 ALA H H 1 9.018 0.02 . 1 . . . . 54 A H . 19188 1 326 . 1 1 58 58 ALA HA H 1 4.345 0.02 . 1 . . . . 54 A HA . 19188 1 327 . 1 1 58 58 ALA C C 13 174.946 0.3 . 1 . . . . 54 A C . 19188 1 328 . 1 1 58 58 ALA CA C 13 50.583 0.3 . 1 . . . . 54 A CA . 19188 1 329 . 1 1 58 58 ALA CB C 13 19.236 0.3 . 1 . . . . 54 A CB . 19188 1 330 . 1 1 58 58 ALA N N 15 130.98 0.2 . 1 . . . . 54 A N . 19188 1 331 . 1 1 59 59 GLY H H 1 8.749 0.02 . 1 . . . . 55 G H . 19188 1 332 . 1 1 59 59 GLY C C 13 175.803 0.3 . 1 . . . . 55 G C . 19188 1 333 . 1 1 59 59 GLY CA C 13 46.923 0.3 . 1 . . . . 55 G CA . 19188 1 334 . 1 1 59 59 GLY N N 15 111.961 0.2 . 1 . . . . 55 G N . 19188 1 335 . 1 1 60 60 SER H H 1 9.065 0.02 . 1 . . . . 56 S H . 19188 1 336 . 1 1 60 60 SER HA H 1 4.131 0.02 . 1 . . . . 56 S HA . 19188 1 337 . 1 1 60 60 SER C C 13 174.004 0.3 . 1 . . . . 56 S C . 19188 1 338 . 1 1 60 60 SER CA C 13 58.876 0.3 . 1 . . . . 56 S CA . 19188 1 339 . 1 1 60 60 SER CB C 13 63.87 0.3 . 1 . . . . 56 S CB . 19188 1 340 . 1 1 60 60 SER N N 15 121.713 0.2 . 1 . . . . 56 S N . 19188 1 341 . 1 1 61 61 LYS H H 1 7.979 0.02 . 1 . . . . 57 K H . 19188 1 342 . 1 1 61 61 LYS HA H 1 4.253 0.02 . 1 . . . . 57 K HA . 19188 1 343 . 1 1 61 61 LYS C C 13 173.694 0.3 . 1 . . . . 57 K C . 19188 1 344 . 1 1 61 61 LYS CA C 13 55.398 0.3 . 1 . . . . 57 K CA . 19188 1 345 . 1 1 61 61 LYS CB C 13 32.987 0.3 . 1 . . . . 57 K CB . 19188 1 346 . 1 1 61 61 LYS N N 15 123.864 0.2 . 1 . . . . 57 K N . 19188 1 347 . 1 1 62 62 VAL H H 1 8.113 0.02 . 1 . . . . 58 V H . 19188 1 348 . 1 1 62 62 VAL C C 13 176.244 0.3 . 1 . . . . 58 V C . 19188 1 349 . 1 1 62 62 VAL CA C 13 60.918 0.3 . 1 . . . . 58 V CA . 19188 1 350 . 1 1 62 62 VAL CB C 13 34.066 0.3 . 1 . . . . 58 V CB . 19188 1 351 . 1 1 62 62 VAL N N 15 124.788 0.2 . 1 . . . . 58 V N . 19188 1 352 . 1 1 63 63 ILE H H 1 8.817 0.02 . 1 . . . . 59 I H . 19188 1 353 . 1 1 63 63 ILE HA H 1 4.153 0.02 . 1 . . . . 59 I HA . 19188 1 354 . 1 1 63 63 ILE C C 13 175.167 0.3 . 1 . . . . 59 I C . 19188 1 355 . 1 1 63 63 ILE CA C 13 60.677 0.3 . 1 . . . . 59 I CA . 19188 1 356 . 1 1 63 63 ILE CB C 13 40.661 0.3 . 1 . . . . 59 I CB . 19188 1 357 . 1 1 63 63 ILE N N 15 126.179 0.2 . 1 . . . . 59 I N . 19188 1 358 . 1 1 64 64 GLN H H 1 8.914 0.02 . 1 . . . . 60 Q H . 19188 1 359 . 1 1 64 64 GLN HA H 1 4.852 0.02 . 1 . . . . 60 Q HA . 19188 1 360 . 1 1 64 64 GLN C C 13 173.714 0.3 . 1 . . . . 60 Q C . 19188 1 361 . 1 1 64 64 GLN CA C 13 54.667 0.3 . 1 . . . . 60 Q CA . 19188 1 362 . 1 1 64 64 GLN CB C 13 31.697 0.3 . 1 . . . . 60 Q CB . 19188 1 363 . 1 1 64 64 GLN N N 15 128.599 0.2 . 1 . . . . 60 Q N . 19188 1 364 . 1 1 65 65 ASN H H 1 8.139 0.02 . 1 . . . . 61 N H . 19188 1 365 . 1 1 65 65 ASN HA H 1 4.891 0.02 . 1 . . . . 61 N HA . 19188 1 366 . 1 1 65 65 ASN C C 13 173.448 0.3 . 1 . . . . 61 N C . 19188 1 367 . 1 1 65 65 ASN CA C 13 52.619 0.3 . 1 . . . . 61 N CA . 19188 1 368 . 1 1 65 65 ASN CB C 13 47.124 0.3 . 1 . . . . 61 N CB . 19188 1 369 . 1 1 65 65 ASN N N 15 119.828 0.2 . 1 . . . . 61 N N . 19188 1 370 . 1 1 66 66 GLU H H 1 8.737 0.02 . 1 . . . . 62 E H . 19188 1 371 . 1 1 66 66 GLU HA H 1 5.141 0.02 . 1 . . . . 62 E HA . 19188 1 372 . 1 1 66 66 GLU C C 13 173.827 0.3 . 1 . . . . 62 E C . 19188 1 373 . 1 1 66 66 GLU CA C 13 55.217 0.3 . 1 . . . . 62 E CA . 19188 1 374 . 1 1 66 66 GLU CB C 13 34.072 0.3 . 1 . . . . 62 E CB . 19188 1 375 . 1 1 66 66 GLU N N 15 115.853 0.2 . 1 . . . . 62 E N . 19188 1 376 . 1 1 67 67 PHE H H 1 8.444 0.02 . 1 . . . . 63 F H . 19188 1 377 . 1 1 67 67 PHE HA H 1 4.818 0.02 . 1 . . . . 63 F HA . 19188 1 378 . 1 1 67 67 PHE C C 13 172.36 0.3 . 1 . . . . 63 F C . 19188 1 379 . 1 1 67 67 PHE CA C 13 57.268 0.3 . 1 . . . . 63 F CA . 19188 1 380 . 1 1 67 67 PHE CB C 13 41.704 0.3 . 1 . . . . 63 F CB . 19188 1 381 . 1 1 67 67 PHE N N 15 113.258 0.2 . 1 . . . . 63 F N . 19188 1 382 . 1 1 68 68 THR H H 1 8.834 0.02 . 1 . . . . 64 T H . 19188 1 383 . 1 1 68 68 THR HA H 1 5.143 0.02 . 1 . . . . 64 T HA . 19188 1 384 . 1 1 68 68 THR C C 13 176.123 0.3 . 1 . . . . 64 T C . 19188 1 385 . 1 1 68 68 THR CA C 13 61.141 0.3 . 1 . . . . 64 T CA . 19188 1 386 . 1 1 68 68 THR CB C 13 70.254 0.3 . 1 . . . . 64 T CB . 19188 1 387 . 1 1 68 68 THR N N 15 116.356 0.2 . 1 . . . . 64 T N . 19188 1 388 . 1 1 69 69 VAL H H 1 9.181 0.02 . 1 . . . . 65 V H . 19188 1 389 . 1 1 69 69 VAL HA H 1 3.877 0.02 . 1 . . . . 65 V HA . 19188 1 390 . 1 1 69 69 VAL C C 13 176.847 0.3 . 1 . . . . 65 V C . 19188 1 391 . 1 1 69 69 VAL CA C 13 64.641 0.3 . 1 . . . . 65 V CA . 19188 1 392 . 1 1 69 69 VAL CB C 13 32.251 0.3 . 1 . . . . 65 V CB . 19188 1 393 . 1 1 69 69 VAL N N 15 126.156 0.2 . 1 . . . . 65 V N . 19188 1 394 . 1 1 70 70 GLY H H 1 8.697 0.02 . 1 . . . . 66 G H . 19188 1 395 . 1 1 70 70 GLY HA2 H 1 3.333 0.02 . 2 . . . . 66 G HA2 . 19188 1 396 . 1 1 70 70 GLY HA3 H 1 4.142 0.02 . 2 . . . . 66 G HA3 . 19188 1 397 . 1 1 70 70 GLY C C 13 173.502 0.3 . 1 . . . . 66 G C . 19188 1 398 . 1 1 70 70 GLY CA C 13 45.561 0.3 . 1 . . . . 66 G CA . 19188 1 399 . 1 1 70 70 GLY N N 15 109.256 0.2 . 1 . . . . 66 G N . 19188 1 400 . 1 1 71 71 GLU H H 1 7.692 0.02 . 1 . . . . 67 E H . 19188 1 401 . 1 1 71 71 GLU HA H 1 4.606 0.02 . 1 . . . . 67 E HA . 19188 1 402 . 1 1 71 71 GLU C C 13 175.666 0.3 . 1 . . . . 67 E C . 19188 1 403 . 1 1 71 71 GLU CA C 13 54.044 0.3 . 1 . . . . 67 E CA . 19188 1 404 . 1 1 71 71 GLU CB C 13 31.954 0.3 . 1 . . . . 67 E CB . 19188 1 405 . 1 1 71 71 GLU N N 15 117.871 0.2 . 1 . . . . 67 E N . 19188 1 406 . 1 1 72 72 GLU H H 1 8.871 0.02 . 1 . . . . 68 E H . 19188 1 407 . 1 1 72 72 GLU HA H 1 4.203 0.02 . 1 . . . . 68 E HA . 19188 1 408 . 1 1 72 72 GLU C C 13 175.877 0.3 . 1 . . . . 68 E C . 19188 1 409 . 1 1 72 72 GLU CA C 13 58.269 0.3 . 1 . . . . 68 E CA . 19188 1 410 . 1 1 72 72 GLU CB C 13 30.021 0.3 . 1 . . . . 68 E CB . 19188 1 411 . 1 1 72 72 GLU N N 15 123.962 0.2 . 1 . . . . 68 E N . 19188 1 412 . 1 1 73 73 CYS H H 1 9.138 0.02 . 1 . . . . 69 C H . 19188 1 413 . 1 1 73 73 CYS HA H 1 5.031 0.02 . 1 . . . . 69 C HA . 19188 1 414 . 1 1 73 73 CYS C C 13 171.896 0.3 . 1 . . . . 69 C C . 19188 1 415 . 1 1 73 73 CYS CA C 13 55.375 0.3 . 1 . . . . 69 C CA . 19188 1 416 . 1 1 73 73 CYS CB C 13 32.264 0.3 . 1 . . . . 69 C CB . 19188 1 417 . 1 1 73 73 CYS N N 15 122.034 0.2 . 1 . . . . 69 C N . 19188 1 418 . 1 1 74 74 GLU H H 1 8.34 0.02 . 1 . . . . 70 E H . 19188 1 419 . 1 1 74 74 GLU HA H 1 4.936 0.02 . 1 . . . . 70 E HA . 19188 1 420 . 1 1 74 74 GLU C C 13 175.275 0.3 . 1 . . . . 70 E C . 19188 1 421 . 1 1 74 74 GLU CA C 13 55.069 0.3 . 1 . . . . 70 E CA . 19188 1 422 . 1 1 74 74 GLU CB C 13 32.046 0.3 . 1 . . . . 70 E CB . 19188 1 423 . 1 1 74 74 GLU N N 15 118.926 0.2 . 1 . . . . 70 E N . 19188 1 424 . 1 1 75 75 LEU H H 1 8.78 0.02 . 1 . . . . 71 L H . 19188 1 425 . 1 1 75 75 LEU HA H 1 4.451 0.02 . 1 . . . . 71 L HA . 19188 1 426 . 1 1 75 75 LEU C C 13 175.374 0.3 . 1 . . . . 71 L C . 19188 1 427 . 1 1 75 75 LEU CA C 13 52.807 0.3 . 1 . . . . 71 L CA . 19188 1 428 . 1 1 75 75 LEU CB C 13 44 0.3 . 1 . . . . 71 L CB . 19188 1 429 . 1 1 75 75 LEU N N 15 123.851 0.2 . 1 . . . . 71 L N . 19188 1 430 . 1 1 76 76 GLU H H 1 9.559 0.02 . 1 . . . . 72 E H . 19188 1 431 . 1 1 76 76 GLU HA H 1 4.353 0.02 . 1 . . . . 72 E HA . 19188 1 432 . 1 1 76 76 GLU C C 13 176.385 0.3 . 1 . . . . 72 E C . 19188 1 433 . 1 1 76 76 GLU CA C 13 55.974 0.3 . 1 . . . . 72 E CA . 19188 1 434 . 1 1 76 76 GLU CB C 13 30.728 0.3 . 1 . . . . 72 E CB . 19188 1 435 . 1 1 76 76 GLU N N 15 123.411 0.2 . 1 . . . . 72 E N . 19188 1 436 . 1 1 77 77 THR H H 1 8.039 0.02 . 1 . . . . 73 T H . 19188 1 437 . 1 1 77 77 THR CA C 13 60.814 0.3 . 1 . . . . 73 T CA . 19188 1 438 . 1 1 77 77 THR CB C 13 70.583 0.3 . 1 . . . . 73 T CB . 19188 1 439 . 1 1 77 77 THR N N 15 111.046 0.2 . 1 . . . . 73 T N . 19188 1 440 . 1 1 79 79 THR HA H 1 4.367 0.02 . 1 . . . . 75 T HA . 19188 1 441 . 1 1 79 79 THR C C 13 175.61 0.3 . 1 . . . . 75 T C . 19188 1 442 . 1 1 79 79 THR CA C 13 61.791 0.3 . 1 . . . . 75 T CA . 19188 1 443 . 1 1 79 79 THR CB C 13 69.248 0.3 . 1 . . . . 75 T CB . 19188 1 444 . 1 1 80 80 GLY H H 1 7.493 0.02 . 1 . . . . 76 G H . 19188 1 445 . 1 1 80 80 GLY HA2 H 1 3.561 0.02 . 1 . . . . 76 G HA2 . 19188 1 446 . 1 1 80 80 GLY HA3 H 1 4.211 0.02 . 1 . . . . 76 G HA3 . 19188 1 447 . 1 1 80 80 GLY C C 13 173.611 0.3 . 1 . . . . 76 G C . 19188 1 448 . 1 1 80 80 GLY CA C 13 44.937 0.3 . 1 . . . . 76 G CA . 19188 1 449 . 1 1 80 80 GLY N N 15 109.005 0.2 . 1 . . . . 76 G N . 19188 1 450 . 1 1 81 81 GLU H H 1 7.143 0.02 . 1 . . . . 77 E H . 19188 1 451 . 1 1 81 81 GLU HA H 1 3.969 0.02 . 1 . . . . 77 E HA . 19188 1 452 . 1 1 81 81 GLU CA C 13 56.378 0.3 . 1 . . . . 77 E CA . 19188 1 453 . 1 1 81 81 GLU CB C 13 30.39 0.3 . 1 . . . . 77 E CB . 19188 1 454 . 1 1 81 81 GLU N N 15 119.48 0.2 . 1 . . . . 77 E N . 19188 1 455 . 1 1 82 82 LYS H H 1 8.508 0.02 . 1 . . . . 78 K H . 19188 1 456 . 1 1 82 82 LYS HA H 1 5.128 0.02 . 1 . . . . 78 K HA . 19188 1 457 . 1 1 82 82 LYS C C 13 176.875 0.3 . 1 . . . . 78 K C . 19188 1 458 . 1 1 82 82 LYS CA C 13 54.752 0.3 . 1 . . . . 78 K CA . 19188 1 459 . 1 1 82 82 LYS CB C 13 33.473 0.3 . 1 . . . . 78 K CB . 19188 1 460 . 1 1 82 82 LYS N N 15 123.257 0.2 . 1 . . . . 78 K N . 19188 1 461 . 1 1 83 83 VAL H H 1 8.751 0.02 . 1 . . . . 79 V H . 19188 1 462 . 1 1 83 83 VAL CA C 13 59.303 0.3 . 1 . . . . 79 V CA . 19188 1 463 . 1 1 83 83 VAL CB C 13 34.426 0.3 . 1 . . . . 79 V CB . 19188 1 464 . 1 1 83 83 VAL N N 15 117.958 0.2 . 1 . . . . 79 V N . 19188 1 465 . 1 1 84 84 LYS HA H 1 5.217 0.02 . 1 . . . . 80 K HA . 19188 1 466 . 1 1 84 84 LYS C C 13 176.536 0.3 . 1 . . . . 80 K C . 19188 1 467 . 1 1 84 84 LYS CA C 13 55.195 0.3 . 1 . . . . 80 K CA . 19188 1 468 . 1 1 84 84 LYS CB C 13 33.404 0.3 . 1 . . . . 80 K CB . 19188 1 469 . 1 1 85 85 THR H H 1 8.44 0.02 . 1 . . . . 81 T H . 19188 1 470 . 1 1 85 85 THR HA H 1 4.592 0.02 . 1 . . . . 81 T HA . 19188 1 471 . 1 1 85 85 THR C C 13 170.844 0.3 . 1 . . . . 81 T C . 19188 1 472 . 1 1 85 85 THR CA C 13 59.475 0.3 . 1 . . . . 81 T CA . 19188 1 473 . 1 1 85 85 THR CB C 13 69.131 0.3 . 1 . . . . 81 T CB . 19188 1 474 . 1 1 85 85 THR N N 15 117.131 0.2 . 1 . . . . 81 T N . 19188 1 475 . 1 1 86 86 VAL H H 1 8.222 0.02 . 1 . . . . 82 V H . 19188 1 476 . 1 1 86 86 VAL HA H 1 4.125 0.02 . 1 . . . . 82 V HA . 19188 1 477 . 1 1 86 86 VAL C C 13 175.379 0.3 . 1 . . . . 82 V C . 19188 1 478 . 1 1 86 86 VAL CA C 13 61.453 0.3 . 1 . . . . 82 V CA . 19188 1 479 . 1 1 86 86 VAL CB C 13 35.312 0.3 . 1 . . . . 82 V CB . 19188 1 480 . 1 1 86 86 VAL N N 15 119.195 0.2 . 1 . . . . 82 V N . 19188 1 481 . 1 1 87 87 VAL H H 1 9.823 0.02 . 1 . . . . 83 V H . 19188 1 482 . 1 1 87 87 VAL HA H 1 4.006 0.02 . 1 . . . . 83 V HA . 19188 1 483 . 1 1 87 87 VAL C C 13 174.944 0.3 . 1 . . . . 83 V C . 19188 1 484 . 1 1 87 87 VAL CA C 13 61.392 0.3 . 1 . . . . 83 V CA . 19188 1 485 . 1 1 87 87 VAL CB C 13 31.539 0.3 . 1 . . . . 83 V CB . 19188 1 486 . 1 1 87 87 VAL N N 15 132.682 0.2 . 1 . . . . 83 V N . 19188 1 487 . 1 1 88 88 GLN H H 1 8.623 0.02 . 1 . . . . 84 Q H . 19188 1 488 . 1 1 88 88 GLN HA H 1 4.728 0.02 . 1 . . . . 84 Q HA . 19188 1 489 . 1 1 88 88 GLN C C 13 174.85 0.3 . 1 . . . . 84 Q C . 19188 1 490 . 1 1 88 88 GLN CA C 13 53.706 0.3 . 1 . . . . 84 Q CA . 19188 1 491 . 1 1 88 88 GLN CB C 13 31.186 0.3 . 1 . . . . 84 Q CB . 19188 1 492 . 1 1 88 88 GLN N N 15 123.225 0.2 . 1 . . . . 84 Q N . 19188 1 493 . 1 1 89 89 LEU H H 1 8.204 0.02 . 1 . . . . 85 L H . 19188 1 494 . 1 1 89 89 LEU HA H 1 5.011 0.02 . 1 . . . . 85 L HA . 19188 1 495 . 1 1 89 89 LEU C C 13 176.88 0.3 . 1 . . . . 85 L C . 19188 1 496 . 1 1 89 89 LEU CA C 13 54.319 0.3 . 1 . . . . 85 L CA . 19188 1 497 . 1 1 89 89 LEU CB C 13 44.199 0.3 . 1 . . . . 85 L CB . 19188 1 498 . 1 1 89 89 LEU N N 15 121.93 0.2 . 1 . . . . 85 L N . 19188 1 499 . 1 1 90 90 GLU H H 1 8.855 0.02 . 1 . . . . 86 E H . 19188 1 500 . 1 1 90 90 GLU HA H 1 4.377 0.02 . 1 . . . . 86 E HA . 19188 1 501 . 1 1 90 90 GLU C C 13 175.993 0.3 . 1 . . . . 86 E C . 19188 1 502 . 1 1 90 90 GLU CA C 13 55.431 0.3 . 1 . . . . 86 E CA . 19188 1 503 . 1 1 90 90 GLU CB C 13 31.698 0.3 . 1 . . . . 86 E CB . 19188 1 504 . 1 1 90 90 GLU N N 15 126.836 0.2 . 1 . . . . 86 E N . 19188 1 505 . 1 1 91 91 GLY H H 1 8.284 0.02 . 1 . . . . 87 G H . 19188 1 506 . 1 1 91 91 GLY HA2 H 1 3.57 0.02 . 2 . . . . 87 G HA2 . 19188 1 507 . 1 1 91 91 GLY HA3 H 1 3.932 0.02 . 2 . . . . 87 G HA3 . 19188 1 508 . 1 1 91 91 GLY C C 13 173.79 0.3 . 1 . . . . 87 G C . 19188 1 509 . 1 1 91 91 GLY CA C 13 45.881 0.3 . 1 . . . . 87 G CA . 19188 1 510 . 1 1 91 91 GLY N N 15 111.477 0.2 . 1 . . . . 87 G N . 19188 1 511 . 1 1 92 92 ASP H H 1 8.351 0.02 . 1 . . . . 88 D H . 19188 1 512 . 1 1 92 92 ASP HA H 1 4.609 0.02 . 1 . . . . 88 D HA . 19188 1 513 . 1 1 92 92 ASP C C 13 177.696 0.3 . 1 . . . . 88 D C . 19188 1 514 . 1 1 92 92 ASP CA C 13 54.865 0.3 . 1 . . . . 88 D CA . 19188 1 515 . 1 1 92 92 ASP CB C 13 41.806 0.3 . 1 . . . . 88 D CB . 19188 1 516 . 1 1 92 92 ASP N N 15 116.824 0.2 . 1 . . . . 88 D N . 19188 1 517 . 1 1 93 93 ASN H H 1 7.978 0.02 . 1 . . . . 89 N H . 19188 1 518 . 1 1 93 93 ASN HA H 1 4.683 0.02 . 1 . . . . 89 N HA . 19188 1 519 . 1 1 93 93 ASN C C 13 174.041 0.3 . 1 . . . . 89 N C . 19188 1 520 . 1 1 93 93 ASN CA C 13 53.409 0.3 . 1 . . . . 89 N CA . 19188 1 521 . 1 1 93 93 ASN CB C 13 39.579 0.3 . 1 . . . . 89 N CB . 19188 1 522 . 1 1 93 93 ASN N N 15 113.376 0.2 . 1 . . . . 89 N N . 19188 1 523 . 1 1 94 94 LYS H H 1 7.297 0.02 . 1 . . . . 90 K H . 19188 1 524 . 1 1 94 94 LYS HA H 1 5.63 0.02 . 1 . . . . 90 K HA . 19188 1 525 . 1 1 94 94 LYS C C 13 174.757 0.3 . 1 . . . . 90 K C . 19188 1 526 . 1 1 94 94 LYS CA C 13 55.032 0.3 . 1 . . . . 90 K CA . 19188 1 527 . 1 1 94 94 LYS CB C 13 36.153 0.3 . 1 . . . . 90 K CB . 19188 1 528 . 1 1 94 94 LYS N N 15 117.153 0.2 . 1 . . . . 90 K N . 19188 1 529 . 1 1 95 95 LEU H H 1 8.737 0.02 . 1 . . . . 91 L H . 19188 1 530 . 1 1 95 95 LEU HA H 1 4.997 0.02 . 1 . . . . 91 L HA . 19188 1 531 . 1 1 95 95 LEU C C 13 176.558 0.3 . 1 . . . . 91 L C . 19188 1 532 . 1 1 95 95 LEU CA C 13 52.886 0.3 . 1 . . . . 91 L CA . 19188 1 533 . 1 1 95 95 LEU CB C 13 44.042 0.3 . 1 . . . . 91 L CB . 19188 1 534 . 1 1 95 95 LEU N N 15 122.728 0.2 . 1 . . . . 91 L N . 19188 1 535 . 1 1 96 96 VAL H H 1 8.985 0.02 . 1 . . . . 92 V H . 19188 1 536 . 1 1 96 96 VAL HA H 1 4.896 0.02 . 1 . . . . 92 V HA . 19188 1 537 . 1 1 96 96 VAL C C 13 175.102 0.3 . 1 . . . . 92 V C . 19188 1 538 . 1 1 96 96 VAL CA C 13 60.27 0.3 . 1 . . . . 92 V CA . 19188 1 539 . 1 1 96 96 VAL CB C 13 35.445 0.3 . 1 . . . . 92 V CB . 19188 1 540 . 1 1 96 96 VAL N N 15 119.867 0.2 . 1 . . . . 92 V N . 19188 1 541 . 1 1 97 97 THR H H 1 8.611 0.02 . 1 . . . . 93 T H . 19188 1 542 . 1 1 97 97 THR HA H 1 4.459 0.02 . 1 . . . . 93 T HA . 19188 1 543 . 1 1 97 97 THR C C 13 170.582 0.3 . 1 . . . . 93 T C . 19188 1 544 . 1 1 97 97 THR CA C 13 61.253 0.3 . 1 . . . . 93 T CA . 19188 1 545 . 1 1 97 97 THR CB C 13 69.405 0.3 . 1 . . . . 93 T CB . 19188 1 546 . 1 1 97 97 THR N N 15 118.341 0.2 . 1 . . . . 93 T N . 19188 1 547 . 1 1 98 98 ALA H H 1 8.049 0.02 . 1 . . . . 94 A H . 19188 1 548 . 1 1 98 98 ALA CA C 13 51.246 0.3 . 1 . . . . 94 A CA . 19188 1 549 . 1 1 98 98 ALA CB C 13 22.169 0.3 . 1 . . . . 94 A CB . 19188 1 550 . 1 1 98 98 ALA N N 15 124.383 0.2 . 1 . . . . 94 A N . 19188 1 551 . 1 1 99 99 PHE H H 1 8.104 0.02 . 1 . . . . 95 F H . 19188 1 552 . 1 1 99 99 PHE N N 15 117.175 0.2 . 1 . . . . 95 F N . 19188 1 553 . 1 1 101 101 ASN HA H 1 3.698 0.02 . 1 . . . . 97 N HA . 19188 1 554 . 1 1 101 101 ASN C C 13 173.579 0.3 . 1 . . . . 97 N C . 19188 1 555 . 1 1 101 101 ASN CA C 13 58.484 0.3 . 1 . . . . 97 N CA . 19188 1 556 . 1 1 101 101 ASN CB C 13 37.319 0.3 . 1 . . . . 97 N CB . 19188 1 557 . 1 1 102 102 ILE H H 1 8.339 0.02 . 1 . . . . 98 I H . 19188 1 558 . 1 1 102 102 ILE C C 13 176.017 0.3 . 1 . . . . 98 I C . 19188 1 559 . 1 1 102 102 ILE CA C 13 60.708 0.3 . 1 . . . . 98 I CA . 19188 1 560 . 1 1 102 102 ILE CB C 13 39.874 0.3 . 1 . . . . 98 I CB . 19188 1 561 . 1 1 102 102 ILE N N 15 120.511 0.2 . 1 . . . . 98 I N . 19188 1 562 . 1 1 103 103 LYS H H 1 7.939 0.02 . 1 . . . . 99 K H . 19188 1 563 . 1 1 103 103 LYS C C 13 175.144 0.3 . 1 . . . . 99 K C . 19188 1 564 . 1 1 103 103 LYS CA C 13 55.271 0.3 . 1 . . . . 99 K CA . 19188 1 565 . 1 1 103 103 LYS CB C 13 34.97 0.3 . 1 . . . . 99 K CB . 19188 1 566 . 1 1 103 103 LYS N N 15 124.866 0.2 . 1 . . . . 99 K N . 19188 1 567 . 1 1 104 104 SER H H 1 8.624 0.02 . 1 . . . . 100 S H . 19188 1 568 . 1 1 104 104 SER HA H 1 5.125 0.02 . 1 . . . . 100 S HA . 19188 1 569 . 1 1 104 104 SER C C 13 173.608 0.3 . 1 . . . . 100 S C . 19188 1 570 . 1 1 104 104 SER CA C 13 57.079 0.3 . 1 . . . . 100 S CA . 19188 1 571 . 1 1 104 104 SER CB C 13 64.944 0.3 . 1 . . . . 100 S CB . 19188 1 572 . 1 1 104 104 SER N N 15 117.884 0.2 . 1 . . . . 100 S N . 19188 1 573 . 1 1 105 105 VAL H H 1 8.532 0.02 . 1 . . . . 101 V H . 19188 1 574 . 1 1 105 105 VAL HA H 1 4.555 0.02 . 1 . . . . 101 V HA . 19188 1 575 . 1 1 105 105 VAL C C 13 174.811 0.3 . 1 . . . . 101 V C . 19188 1 576 . 1 1 105 105 VAL CA C 13 61.516 0.3 . 1 . . . . 101 V CA . 19188 1 577 . 1 1 105 105 VAL CB C 13 35.196 0.3 . 1 . . . . 101 V CB . 19188 1 578 . 1 1 105 105 VAL N N 15 127.069 0.2 . 1 . . . . 101 V N . 19188 1 579 . 1 1 106 106 THR H H 1 9.321 0.02 . 1 . . . . 102 T H . 19188 1 580 . 1 1 106 106 THR HA H 1 4.854 0.02 . 1 . . . . 102 T HA . 19188 1 581 . 1 1 106 106 THR C C 13 173.479 0.3 . 1 . . . . 102 T C . 19188 1 582 . 1 1 106 106 THR CA C 13 61.735 0.3 . 1 . . . . 102 T CA . 19188 1 583 . 1 1 106 106 THR CB C 13 69.847 0.3 . 1 . . . . 102 T CB . 19188 1 584 . 1 1 106 106 THR N N 15 128.062 0.2 . 1 . . . . 102 T N . 19188 1 585 . 1 1 107 107 GLU H H 1 9.001 0.02 . 1 . . . . 103 E H . 19188 1 586 . 1 1 107 107 GLU HA H 1 5.199 0.02 . 1 . . . . 103 E HA . 19188 1 587 . 1 1 107 107 GLU C C 13 173.957 0.3 . 1 . . . . 103 E C . 19188 1 588 . 1 1 107 107 GLU CA C 13 54.548 0.3 . 1 . . . . 103 E CA . 19188 1 589 . 1 1 107 107 GLU CB C 13 33.784 0.3 . 1 . . . . 103 E CB . 19188 1 590 . 1 1 107 107 GLU N N 15 124.921 0.2 . 1 . . . . 103 E N . 19188 1 591 . 1 1 108 108 LEU H H 1 8.339 0.02 . 1 . . . . 104 L H . 19188 1 592 . 1 1 108 108 LEU HA H 1 4.673 0.02 . 1 . . . . 104 L HA . 19188 1 593 . 1 1 108 108 LEU C C 13 175.216 0.3 . 1 . . . . 104 L C . 19188 1 594 . 1 1 108 108 LEU CA C 13 53.655 0.3 . 1 . . . . 104 L CA . 19188 1 595 . 1 1 108 108 LEU CB C 13 45.313 0.3 . 1 . . . . 104 L CB . 19188 1 596 . 1 1 108 108 LEU N N 15 127.102 0.2 . 1 . . . . 104 L N . 19188 1 597 . 1 1 109 109 ASN H H 1 8.796 0.02 . 1 . . . . 105 N H . 19188 1 598 . 1 1 109 109 ASN C C 13 175.134 0.3 . 1 . . . . 105 N C . 19188 1 599 . 1 1 109 109 ASN CA C 13 52.508 0.3 . 1 . . . . 105 N CA . 19188 1 600 . 1 1 109 109 ASN CB C 13 40.306 0.3 . 1 . . . . 105 N CB . 19188 1 601 . 1 1 109 109 ASN N N 15 125.161 0.2 . 1 . . . . 105 N N . 19188 1 602 . 1 1 110 110 GLY H H 1 8.769 0.02 . 1 . . . . 106 G H . 19188 1 603 . 1 1 110 110 GLY HA2 H 1 3.393 0.02 . 2 . . . . 106 G HA2 . 19188 1 604 . 1 1 110 110 GLY HA3 H 1 3.815 0.02 . 2 . . . . 106 G HA3 . 19188 1 605 . 1 1 110 110 GLY C C 13 173.169 0.3 . 1 . . . . 106 G C . 19188 1 606 . 1 1 110 110 GLY CA C 13 47.841 0.3 . 1 . . . . 106 G CA . 19188 1 607 . 1 1 110 110 GLY N N 15 114.193 0.2 . 1 . . . . 106 G N . 19188 1 608 . 1 1 111 111 ASP H H 1 8.719 0.02 . 1 . . . . 107 D H . 19188 1 609 . 1 1 111 111 ASP HA H 1 4.612 0.02 . 1 . . . . 107 D HA . 19188 1 610 . 1 1 111 111 ASP C C 13 174.134 0.3 . 1 . . . . 107 D C . 19188 1 611 . 1 1 111 111 ASP CA C 13 53.964 0.3 . 1 . . . . 107 D CA . 19188 1 612 . 1 1 111 111 ASP CB C 13 41.948 0.3 . 1 . . . . 107 D CB . 19188 1 613 . 1 1 111 111 ASP N N 15 125.676 0.2 . 1 . . . . 107 D N . 19188 1 614 . 1 1 112 112 ILE H H 1 7.764 0.02 . 1 . . . . 108 I H . 19188 1 615 . 1 1 112 112 ILE HA H 1 4.898 0.02 . 1 . . . . 108 I HA . 19188 1 616 . 1 1 112 112 ILE C C 13 175.983 0.3 . 1 . . . . 108 I C . 19188 1 617 . 1 1 112 112 ILE CA C 13 58.813 0.3 . 1 . . . . 108 I CA . 19188 1 618 . 1 1 112 112 ILE CB C 13 38.947 0.3 . 1 . . . . 108 I CB . 19188 1 619 . 1 1 112 112 ILE N N 15 119.044 0.2 . 1 . . . . 108 I N . 19188 1 620 . 1 1 113 113 ILE H H 1 8.729 0.02 . 1 . . . . 109 I H . 19188 1 621 . 1 1 113 113 ILE HA H 1 4.972 0.02 . 1 . . . . 109 I HA . 19188 1 622 . 1 1 113 113 ILE C C 13 174.067 0.3 . 1 . . . . 109 I C . 19188 1 623 . 1 1 113 113 ILE CA C 13 58.87 0.3 . 1 . . . . 109 I CA . 19188 1 624 . 1 1 113 113 ILE CB C 13 41.348 0.3 . 1 . . . . 109 I CB . 19188 1 625 . 1 1 113 113 ILE N N 15 127.274 0.2 . 1 . . . . 109 I N . 19188 1 626 . 1 1 114 114 THR H H 1 8.788 0.02 . 1 . . . . 110 T H . 19188 1 627 . 1 1 114 114 THR HA H 1 4.992 0.02 . 1 . . . . 110 T HA . 19188 1 628 . 1 1 114 114 THR C C 13 173.543 0.3 . 1 . . . . 110 T C . 19188 1 629 . 1 1 114 114 THR CA C 13 60.538 0.3 . 1 . . . . 110 T CA . 19188 1 630 . 1 1 114 114 THR CB C 13 70.269 0.3 . 1 . . . . 110 T CB . 19188 1 631 . 1 1 114 114 THR N N 15 121.185 0.2 . 1 . . . . 110 T N . 19188 1 632 . 1 1 115 115 ASN H H 1 9.213 0.02 . 1 . . . . 111 N H . 19188 1 633 . 1 1 115 115 ASN HA H 1 5.356 0.02 . 1 . . . . 111 N HA . 19188 1 634 . 1 1 115 115 ASN C C 13 174.388 0.3 . 1 . . . . 111 N C . 19188 1 635 . 1 1 115 115 ASN CA C 13 52.993 0.3 . 1 . . . . 111 N CA . 19188 1 636 . 1 1 115 115 ASN CB C 13 43.838 0.3 . 1 . . . . 111 N CB . 19188 1 637 . 1 1 115 115 ASN N N 15 125.765 0.2 . 1 . . . . 111 N N . 19188 1 638 . 1 1 116 116 THR H H 1 9.093 0.02 . 1 . . . . 112 T H . 19188 1 639 . 1 1 116 116 THR HA H 1 4.603 0.02 . 1 . . . . 112 T HA . 19188 1 640 . 1 1 116 116 THR C C 13 173.649 0.3 . 1 . . . . 112 T C . 19188 1 641 . 1 1 116 116 THR CA C 13 62.073 0.3 . 1 . . . . 112 T CA . 19188 1 642 . 1 1 116 116 THR CB C 13 69.679 0.3 . 1 . . . . 112 T CB . 19188 1 643 . 1 1 116 116 THR N N 15 123.458 0.2 . 1 . . . . 112 T N . 19188 1 644 . 1 1 117 117 MET H H 1 9.083 0.02 . 1 . . . . 113 M H . 19188 1 645 . 1 1 117 117 MET HA H 1 5.426 0.02 . 1 . . . . 113 M HA . 19188 1 646 . 1 1 117 117 MET C C 13 174.098 0.3 . 1 . . . . 113 M C . 19188 1 647 . 1 1 117 117 MET CA C 13 54.251 0.3 . 1 . . . . 113 M CA . 19188 1 648 . 1 1 117 117 MET CB C 13 36.401 0.3 . 1 . . . . 113 M CB . 19188 1 649 . 1 1 117 117 MET N N 15 126.85 0.2 . 1 . . . . 113 M N . 19188 1 650 . 1 1 118 118 THR H H 1 8.867 0.02 . 1 . . . . 114 T H . 19188 1 651 . 1 1 118 118 THR HA H 1 5.186 0.02 . 1 . . . . 114 T HA . 19188 1 652 . 1 1 118 118 THR C C 13 174.159 0.3 . 1 . . . . 114 T C . 19188 1 653 . 1 1 118 118 THR CA C 13 61.151 0.3 . 1 . . . . 114 T CA . 19188 1 654 . 1 1 118 118 THR CB C 13 70.841 0.3 . 1 . . . . 114 T CB . 19188 1 655 . 1 1 118 118 THR N N 15 116.381 0.2 . 1 . . . . 114 T N . 19188 1 656 . 1 1 119 119 LEU H H 1 8.565 0.02 . 1 . . . . 115 L H . 19188 1 657 . 1 1 119 119 LEU HA H 1 4.515 0.02 . 1 . . . . 115 L HA . 19188 1 658 . 1 1 119 119 LEU C C 13 176.309 0.3 . 1 . . . . 115 L C . 19188 1 659 . 1 1 119 119 LEU CA C 13 54.389 0.3 . 1 . . . . 115 L CA . 19188 1 660 . 1 1 119 119 LEU CB C 13 44.807 0.3 . 1 . . . . 115 L CB . 19188 1 661 . 1 1 119 119 LEU N N 15 127.795 0.2 . 1 . . . . 115 L N . 19188 1 662 . 1 1 120 120 GLY H H 1 9.068 0.02 . 1 . . . . 116 G H . 19188 1 663 . 1 1 120 120 GLY HA2 H 1 3.435 0.02 . 2 . . . . 116 G HA2 . 19188 1 664 . 1 1 120 120 GLY HA3 H 1 3.741 0.02 . 2 . . . . 116 G HA3 . 19188 1 665 . 1 1 120 120 GLY C C 13 174.496 0.3 . 1 . . . . 116 G C . 19188 1 666 . 1 1 120 120 GLY CA C 13 47.475 0.3 . 1 . . . . 116 G CA . 19188 1 667 . 1 1 120 120 GLY N N 15 116.456 0.2 . 1 . . . . 116 G N . 19188 1 668 . 1 1 121 121 ASP H H 1 8.5 0.02 . 1 . . . . 117 D H . 19188 1 669 . 1 1 121 121 ASP HA H 1 4.398 0.02 . 1 . . . . 117 D HA . 19188 1 670 . 1 1 121 121 ASP C C 13 175.818 0.3 . 1 . . . . 117 D C . 19188 1 671 . 1 1 121 121 ASP CA C 13 54.221 0.3 . 1 . . . . 117 D CA . 19188 1 672 . 1 1 121 121 ASP CB C 13 40.886 0.3 . 1 . . . . 117 D CB . 19188 1 673 . 1 1 121 121 ASP N N 15 125.103 0.2 . 1 . . . . 117 D N . 19188 1 674 . 1 1 122 122 ILE H H 1 8.275 0.02 . 1 . . . . 118 I H . 19188 1 675 . 1 1 122 122 ILE HA H 1 3.771 0.02 . 1 . . . . 118 I HA . 19188 1 676 . 1 1 122 122 ILE C C 13 174.547 0.3 . 1 . . . . 118 I C . 19188 1 677 . 1 1 122 122 ILE CA C 13 62.126 0.3 . 1 . . . . 118 I CA . 19188 1 678 . 1 1 122 122 ILE CB C 13 39.049 0.3 . 1 . . . . 118 I CB . 19188 1 679 . 1 1 122 122 ILE N N 15 121.229 0.2 . 1 . . . . 118 I N . 19188 1 680 . 1 1 123 123 VAL H H 1 8.19 0.02 . 1 . . . . 119 V H . 19188 1 681 . 1 1 123 123 VAL HA H 1 4.378 0.02 . 1 . . . . 119 V HA . 19188 1 682 . 1 1 123 123 VAL C C 13 175.406 0.3 . 1 . . . . 119 V C . 19188 1 683 . 1 1 123 123 VAL CA C 13 61.929 0.3 . 1 . . . . 119 V CA . 19188 1 684 . 1 1 123 123 VAL CB C 13 31.815 0.3 . 1 . . . . 119 V CB . 19188 1 685 . 1 1 123 123 VAL N N 15 126.218 0.2 . 1 . . . . 119 V N . 19188 1 686 . 1 1 124 124 PHE H H 1 9.317 0.02 . 1 . . . . 120 F H . 19188 1 687 . 1 1 124 124 PHE HA H 1 5.417 0.02 . 1 . . . . 120 F HA . 19188 1 688 . 1 1 124 124 PHE C C 13 174.037 0.3 . 1 . . . . 120 F C . 19188 1 689 . 1 1 124 124 PHE CA C 13 53.705 0.3 . 1 . . . . 120 F CA . 19188 1 690 . 1 1 124 124 PHE CB C 13 40.327 0.3 . 1 . . . . 120 F CB . 19188 1 691 . 1 1 124 124 PHE N N 15 130.052 0.2 . 1 . . . . 120 F N . 19188 1 692 . 1 1 125 125 LYS H H 1 8.02 0.02 . 1 . . . . 121 K H . 19188 1 693 . 1 1 125 125 LYS HA H 1 5.096 0.02 . 1 . . . . 121 K HA . 19188 1 694 . 1 1 125 125 LYS C C 13 174.37 0.3 . 1 . . . . 121 K C . 19188 1 695 . 1 1 125 125 LYS CA C 13 55.001 0.3 . 1 . . . . 121 K CA . 19188 1 696 . 1 1 125 125 LYS CB C 13 36.883 0.3 . 1 . . . . 121 K CB . 19188 1 697 . 1 1 125 125 LYS N N 15 129.59 0.2 . 1 . . . . 121 K N . 19188 1 698 . 1 1 126 126 ARG H H 1 8.702 0.02 . 1 . . . . 122 R H . 19188 1 699 . 1 1 126 126 ARG HA H 1 4.613 0.02 . 1 . . . . 122 R HA . 19188 1 700 . 1 1 126 126 ARG C C 13 175.172 0.3 . 1 . . . . 122 R C . 19188 1 701 . 1 1 126 126 ARG CA C 13 55.021 0.3 . 1 . . . . 122 R CA . 19188 1 702 . 1 1 126 126 ARG CB C 13 35.714 0.3 . 1 . . . . 122 R CB . 19188 1 703 . 1 1 126 126 ARG N N 15 124.287 0.2 . 1 . . . . 122 R N . 19188 1 704 . 1 1 127 127 ILE H H 1 8.586 0.02 . 1 . . . . 123 I H . 19188 1 705 . 1 1 127 127 ILE C C 13 175.328 0.3 . 1 . . . . 123 I C . 19188 1 706 . 1 1 127 127 ILE CA C 13 61.21 0.3 . 1 . . . . 123 I CA . 19188 1 707 . 1 1 127 127 ILE CB C 13 40.047 0.3 . 1 . . . . 123 I CB . 19188 1 708 . 1 1 127 127 ILE N N 15 123.074 0.2 . 1 . . . . 123 I N . 19188 1 709 . 1 1 128 128 SER H H 1 9.08 0.02 . 1 . . . . 124 S H . 19188 1 710 . 1 1 128 128 SER HA H 1 5.192 0.02 . 1 . . . . 124 S HA . 19188 1 711 . 1 1 128 128 SER C C 13 170.98 0.3 . 1 . . . . 124 S C . 19188 1 712 . 1 1 128 128 SER CA C 13 58.279 0.3 . 1 . . . . 124 S CA . 19188 1 713 . 1 1 128 128 SER CB C 13 65.763 0.3 . 1 . . . . 124 S CB . 19188 1 714 . 1 1 128 128 SER N N 15 121.726 0.2 . 1 . . . . 124 S N . 19188 1 715 . 1 1 129 129 LYS H H 1 8.391 0.02 . 1 . . . . 125 K H . 19188 1 716 . 1 1 129 129 LYS HA H 1 5.348 0.02 . 1 . . . . 125 K HA . 19188 1 717 . 1 1 129 129 LYS C C 13 175.596 0.3 . 1 . . . . 125 K C . 19188 1 718 . 1 1 129 129 LYS CA C 13 54.414 0.3 . 1 . . . . 125 K CA . 19188 1 719 . 1 1 129 129 LYS CB C 13 37.112 0.3 . 1 . . . . 125 K CB . 19188 1 720 . 1 1 129 129 LYS N N 15 121.279 0.2 . 1 . . . . 125 K N . 19188 1 721 . 1 1 130 130 ARG H H 1 9.204 0.02 . 1 . . . . 126 R H . 19188 1 722 . 1 1 130 130 ARG HA H 1 3.884 0.02 . 1 . . . . 126 R HA . 19188 1 723 . 1 1 130 130 ARG C C 13 175.667 0.3 . 1 . . . . 126 R C . 19188 1 724 . 1 1 130 130 ARG CA C 13 57.321 0.3 . 1 . . . . 126 R CA . 19188 1 725 . 1 1 130 130 ARG CB C 13 31.388 0.3 . 1 . . . . 126 R CB . 19188 1 726 . 1 1 130 130 ARG N N 15 128.203 0.2 . 1 . . . . 126 R N . 19188 1 727 . 1 1 131 131 ILE H H 1 8.589 0.02 . 1 . . . . 127 I H . 19188 1 728 . 1 1 131 131 ILE HA H 1 3.946 0.02 . 1 . . . . 127 I HA . 19188 1 729 . 1 1 131 131 ILE C C 13 175.604 0.3 . 1 . . . . 127 I C . 19188 1 730 . 1 1 131 131 ILE CA C 13 61.164 0.3 . 1 . . . . 127 I CA . 19188 1 731 . 1 1 131 131 ILE CB C 13 39.374 0.3 . 1 . . . . 127 I CB . 19188 1 732 . 1 1 131 131 ILE N N 15 125.1 0.2 . 1 . . . . 127 I N . 19188 1 733 . 1 1 132 132 LEU H H 1 8.156 0.02 . 1 . . . . 128 L H . 19188 1 734 . 1 1 132 132 LEU HA H 1 4.235 0.02 . 1 . . . . 128 L HA . 19188 1 735 . 1 1 132 132 LEU C C 13 176.521 0.3 . 1 . . . . 128 L C . 19188 1 736 . 1 1 132 132 LEU CA C 13 54.829 0.3 . 1 . . . . 128 L CA . 19188 1 737 . 1 1 132 132 LEU CB C 13 42.587 0.3 . 1 . . . . 128 L CB . 19188 1 738 . 1 1 132 132 LEU N N 15 125.926 0.2 . 1 . . . . 128 L N . 19188 1 739 . 1 1 133 133 VAL H H 1 7.939 0.02 . 1 . . . . 129 V H . 19188 1 740 . 1 1 133 133 VAL CA C 13 59.664 0.3 . 1 . . . . 129 V CA . 19188 1 741 . 1 1 133 133 VAL CB C 13 32.731 0.3 . 1 . . . . 129 V CB . 19188 1 742 . 1 1 133 133 VAL N N 15 121.805 0.2 . 1 . . . . 129 V N . 19188 1 743 . 1 1 134 134 PRO HA H 1 4.483 0.02 . 1 . . . . 130 P HA . 19188 1 744 . 1 1 134 134 PRO C C 13 175.263 0.3 . 1 . . . . 130 P C . 19188 1 745 . 1 1 134 134 PRO CA C 13 63.251 0.3 . 1 . . . . 130 P CA . 19188 1 746 . 1 1 134 134 PRO CB C 13 34.184 0.3 . 1 . . . . 130 P CB . 19188 1 747 . 1 1 135 135 ARG H H 1 7.834 0.02 . 1 . . . . 131 R H . 19188 1 748 . 1 1 135 135 ARG CA C 13 57.841 0.3 . 1 . . . . 131 R CA . 19188 1 749 . 1 1 135 135 ARG CB C 13 31.082 0.3 . 1 . . . . 131 R CB . 19188 1 750 . 1 1 135 135 ARG N N 15 124.04 0.2 . 1 . . . . 131 R N . 19188 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 19188 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 6 'standard Heteronuclear 15N NOE' . . . 19188 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 GLY N N 15 . 1 1 3 3 GLY H H 1 -0.49425 0.01849 . . . -1 GLY N . -1 GLY H 19188 1 2 . 1 1 4 4 SER N N 15 . 1 1 4 4 SER H H 1 -0.05776 0.00073 . . . 0 SER N . 0 SER H 19188 1 3 . 1 1 5 5 MET N N 15 . 1 1 5 5 MET H H 1 0.27342 0.0071 . . . 1 MET N . 1 MET H 19188 1 4 . 1 1 6 6 SER N N 15 . 1 1 6 6 SER H H 1 0.51196 0.00418 . . . 2 SER N . 2 SER H 19188 1 5 . 1 1 7 7 PHE N N 15 . 1 1 7 7 PHE H H 1 0.78945 0.00244 . . . 3 PHE N . 3 PHE H 19188 1 6 . 1 1 8 8 SER N N 15 . 1 1 8 8 SER H H 1 0.84698 0.00111 . . . 4 SER N . 4 SER H 19188 1 7 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.84885 0.00101 . . . 5 GLY N . 5 GLY H 19188 1 8 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.80475 0.01775 . . . 6 LYS N . 6 LYS H 19188 1 9 . 1 1 11 11 TYR N N 15 . 1 1 11 11 TYR H H 1 0.8105 0.00786 . . . 7 TYR N . 7 TYR H 19188 1 10 . 1 1 13 13 LEU N N 15 . 1 1 13 13 LEU H H 1 0.79127 0.00953 . . . 9 LEU N . 9 LEU H 19188 1 11 . 1 1 14 14 GLN N N 15 . 1 1 14 14 GLN H H 1 0.82795 0.00417 . . . 10 GLN N . 10 GLN H 19188 1 12 . 1 1 15 15 SER N N 15 . 1 1 15 15 SER H H 1 0.7733 0.00246 . . . 11 SER N . 11 SER H 19188 1 13 . 1 1 16 16 GLN N N 15 . 1 1 16 16 GLN H H 1 0.8023 0.00826 . . . 12 GLN N . 12 GLN H 19188 1 14 . 1 1 17 17 GLU N N 15 . 1 1 17 17 GLU H H 1 0.74635 0.01176 . . . 13 GLU N . 13 GLU H 19188 1 15 . 1 1 18 18 ASN N N 15 . 1 1 18 18 ASN H H 1 0.77648 0.01706 . . . 14 ASN N . 14 ASN H 19188 1 16 . 1 1 19 19 PHE N N 15 . 1 1 19 19 PHE H H 1 0.82856 0.01262 . . . 15 PHE N . 15 PHE H 19188 1 17 . 1 1 20 20 GLU N N 15 . 1 1 20 20 GLU H H 1 0.7963 0.0104 . . . 16 GLU N . 16 GLU H 19188 1 18 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 0.7796 0.01327 . . . 17 ALA N . 17 ALA H 19188 1 19 . 1 1 22 22 PHE N N 15 . 1 1 22 22 PHE H H 1 0.82678 0.00396 . . . 18 PHE N . 18 PHE H 19188 1 20 . 1 1 23 23 MET N N 15 . 1 1 23 23 MET H H 1 0.82034 0.00088 . . . 19 MET N . 19 MET H 19188 1 21 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 0.81294 0.03669 . . . 20 LYS N . 20 LYS H 19188 1 22 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 0.80212 0.00097 . . . 21 ALA N . 21 ALA H 19188 1 23 . 1 1 26 26 ILE N N 15 . 1 1 26 26 ILE H H 1 0.80158 0.0113 . . . 22 ILE N . 22 ILE H 19188 1 24 . 1 1 27 27 GLY N N 15 . 1 1 27 27 GLY H H 1 0.80531 0.00706 . . . 23 GLY N . 23 GLY H 19188 1 25 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.76616 0.00955 . . . 24 LEU N . 24 LEU H 19188 1 26 . 1 1 30 30 GLU N N 15 . 1 1 30 30 GLU H H 1 0.76345 0.00185 . . . 26 GLU N . 26 GLU H 19188 1 27 . 1 1 31 31 GLU N N 15 . 1 1 31 31 GLU H H 1 0.74263 0.0129 . . . 27 GLU N . 27 GLU H 19188 1 28 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.78319 0.02209 . . . 28 LEU N . 28 LEU H 19188 1 29 . 1 1 33 33 ILE N N 15 . 1 1 33 33 ILE H H 1 0.76699 0.01921 . . . 29 ILE N . 29 ILE H 19188 1 30 . 1 1 34 34 GLN N N 15 . 1 1 34 34 GLN H H 1 0.76637 0.01651 . . . 30 GLN N . 30 GLN H 19188 1 31 . 1 1 35 35 LYS N N 15 . 1 1 35 35 LYS H H 1 0.77316 0.00745 . . . 31 LYS N . 31 LYS H 19188 1 32 . 1 1 36 36 GLY N N 15 . 1 1 36 36 GLY H H 1 0.74294 0.00439 . . . 32 GLY N . 32 GLY H 19188 1 33 . 1 1 37 37 LYS N N 15 . 1 1 37 37 LYS H H 1 0.80399 0.01451 . . . 33 LYS N . 33 LYS H 19188 1 34 . 1 1 38 38 ASP N N 15 . 1 1 38 38 ASP H H 1 0.70031 0.01344 . . . 34 ASP N . 34 ASP H 19188 1 35 . 1 1 39 39 ILE N N 15 . 1 1 39 39 ILE H H 1 0.71979 0.0095 . . . 35 ILE N . 35 ILE H 19188 1 36 . 1 1 40 40 LYS N N 15 . 1 1 40 40 LYS H H 1 0.75989 0.01985 . . . 36 LYS N . 36 LYS H 19188 1 37 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.51851 0.01981 . . . 37 GLY N . 37 GLY H 19188 1 38 . 1 1 42 42 VAL N N 15 . 1 1 42 42 VAL H H 1 0.76047 0.00629 . . . 38 VAL N . 38 VAL H 19188 1 39 . 1 1 47 47 GLN N N 15 . 1 1 47 47 GLN H H 1 0.79687 0.01466 . . . 43 GLN N . 43 GLN H 19188 1 40 . 1 1 48 48 ASN N N 15 . 1 1 48 48 ASN H H 1 0.80712 0.01062 . . . 44 ASN N . 44 ASN H 19188 1 41 . 1 1 49 49 GLY N N 15 . 1 1 49 49 GLY H H 1 0.85572 0.0768 . . . 45 GLY N . 45 GLY H 19188 1 42 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.79922 0.01607 . . . 46 LYS N . 46 LYS H 19188 1 43 . 1 1 51 51 HIS N N 15 . 1 1 51 51 HIS H H 1 0.82368 0.00822 . . . 47 HIS N . 47 HIS H 19188 1 44 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.80613 0.01294 . . . 48 PHE N . 48 PHE H 19188 1 45 . 1 1 53 53 LYS N N 15 . 1 1 53 53 LYS H H 1 0.80121 0.02324 . . . 49 LYS N . 49 LYS H 19188 1 46 . 1 1 54 54 PHE N N 15 . 1 1 54 54 PHE H H 1 0.81034 0.01264 . . . 50 PHE N . 50 PHE H 19188 1 47 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.79726 0.01577 . . . 51 THR N . 51 THR H 19188 1 48 . 1 1 56 56 ILE N N 15 . 1 1 56 56 ILE H H 1 0.79038 0.02399 . . . 52 ILE N . 52 ILE H 19188 1 49 . 1 1 57 57 THR N N 15 . 1 1 57 57 THR H H 1 0.81322 0.01265 . . . 53 THR N . 53 THR H 19188 1 50 . 1 1 58 58 ALA N N 15 . 1 1 58 58 ALA H H 1 0.78467 0.03228 . . . 54 ALA N . 54 ALA H 19188 1 51 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.77239 0.03583 . . . 55 GLY N . 55 GLY H 19188 1 52 . 1 1 61 61 LYS N N 15 . 1 1 61 61 LYS H H 1 0.80245 0.01287 . . . 57 LYS N . 57 LYS H 19188 1 53 . 1 1 62 62 VAL N N 15 . 1 1 62 62 VAL H H 1 0.71413 0.02777 . . . 58 VAL N . 58 VAL H 19188 1 54 . 1 1 64 64 GLN N N 15 . 1 1 64 64 GLN H H 1 0.7515 0.02836 . . . 60 GLN N . 60 GLN H 19188 1 55 . 1 1 65 65 ASN N N 15 . 1 1 65 65 ASN H H 1 0.78387 0.00962 . . . 61 ASN N . 61 ASN H 19188 1 56 . 1 1 66 66 GLU N N 15 . 1 1 66 66 GLU H H 1 0.77803 0.00042 . . . 62 GLU N . 62 GLU H 19188 1 57 . 1 1 67 67 PHE N N 15 . 1 1 67 67 PHE H H 1 0.80666 0.00203 . . . 63 PHE N . 63 PHE H 19188 1 58 . 1 1 69 69 VAL N N 15 . 1 1 69 69 VAL H H 1 0.81226 0.01734 . . . 65 VAL N . 65 VAL H 19188 1 59 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.8563 0.03508 . . . 66 GLY N . 66 GLY H 19188 1 60 . 1 1 71 71 GLU N N 15 . 1 1 71 71 GLU H H 1 0.83024 0.00209 . . . 67 GLU N . 67 GLU H 19188 1 61 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.71018 0.00143 . . . 68 GLU N . 68 GLU H 19188 1 62 . 1 1 73 73 CYS N N 15 . 1 1 73 73 CYS H H 1 0.77289 0.00207 . . . 69 CYS N . 69 CYS H 19188 1 63 . 1 1 74 74 GLU N N 15 . 1 1 74 74 GLU H H 1 0.7758 8.28E-05 . . . 70 GLU N . 70 GLU H 19188 1 64 . 1 1 75 75 LEU N N 15 . 1 1 75 75 LEU H H 1 0.76979 0.00536 . . . 71 LEU N . 71 LEU H 19188 1 65 . 1 1 76 76 GLU N N 15 . 1 1 76 76 GLU H H 1 0.80237 0.04007 . . . 72 GLU N . 72 GLU H 19188 1 66 . 1 1 77 77 THR N N 15 . 1 1 77 77 THR H H 1 0.79496 0.02558 . . . 73 THR N . 73 THR H 19188 1 67 . 1 1 80 80 GLY N N 15 . 1 1 80 80 GLY H H 1 0.74008 0.02423 . . . 76 GLY N . 76 GLY H 19188 1 68 . 1 1 81 81 GLU N N 15 . 1 1 81 81 GLU H H 1 0.68975 0.01059 . . . 77 GLU N . 77 GLU H 19188 1 69 . 1 1 82 82 LYS N N 15 . 1 1 82 82 LYS H H 1 0.72715 0.07048 . . . 78 LYS N . 78 LYS H 19188 1 70 . 1 1 83 83 VAL N N 15 . 1 1 83 83 VAL H H 1 0.73456 0.00931 . . . 79 VAL N . 79 VAL H 19188 1 71 . 1 1 85 85 THR N N 15 . 1 1 85 85 THR H H 1 0.85114 0.0258 . . . 81 THR N . 81 THR H 19188 1 72 . 1 1 86 86 VAL N N 15 . 1 1 86 86 VAL H H 1 0.78109 0.00263 . . . 82 VAL N . 82 VAL H 19188 1 73 . 1 1 87 87 VAL N N 15 . 1 1 87 87 VAL H H 1 0.80245 0.02096 . . . 83 VAL N . 83 VAL H 19188 1 74 . 1 1 88 88 GLN N N 15 . 1 1 88 88 GLN H H 1 0.82306 0.02056 . . . 84 GLN N . 84 GLN H 19188 1 75 . 1 1 89 89 LEU N N 15 . 1 1 89 89 LEU H H 1 0.79827 0.01672 . . . 85 LEU N . 85 LEU H 19188 1 76 . 1 1 90 90 GLU N N 15 . 1 1 90 90 GLU H H 1 0.67633 0.0187 . . . 86 GLU N . 86 GLU H 19188 1 77 . 1 1 91 91 GLY N N 15 . 1 1 91 91 GLY H H 1 0.58974 0.01126 . . . 87 GLY N . 87 GLY H 19188 1 78 . 1 1 92 92 ASP N N 15 . 1 1 92 92 ASP H H 1 0.64503 0.00495 . . . 88 ASP N . 88 ASP H 19188 1 79 . 1 1 93 93 ASN N N 15 . 1 1 93 93 ASN H H 1 0.73636 0.0047 . . . 89 ASN N . 89 ASN H 19188 1 80 . 1 1 94 94 LYS N N 15 . 1 1 94 94 LYS H H 1 0.79337 0.00706 . . . 90 LYS N . 90 LYS H 19188 1 81 . 1 1 95 95 LEU N N 15 . 1 1 95 95 LEU H H 1 0.78304 0.01643 . . . 91 LEU N . 91 LEU H 19188 1 82 . 1 1 96 96 VAL N N 15 . 1 1 96 96 VAL H H 1 0.82255 0.02176 . . . 92 VAL N . 92 VAL H 19188 1 83 . 1 1 97 97 THR N N 15 . 1 1 97 97 THR H H 1 0.82115 0.00621 . . . 93 THR N . 93 THR H 19188 1 84 . 1 1 98 98 ALA N N 15 . 1 1 98 98 ALA H H 1 0.76965 0.00246 . . . 94 ALA N . 94 ALA H 19188 1 85 . 1 1 99 99 PHE N N 15 . 1 1 99 99 PHE H H 1 0.85866 0.07397 . . . 95 PHE N . 95 PHE H 19188 1 86 . 1 1 102 102 ILE N N 15 . 1 1 102 102 ILE H H 1 0.79126 0.01089 . . . 98 ILE N . 98 ILE H 19188 1 87 . 1 1 103 103 LYS N N 15 . 1 1 103 103 LYS H H 1 0.78249 0.01221 . . . 99 LYS N . 99 LYS H 19188 1 88 . 1 1 104 104 SER N N 15 . 1 1 104 104 SER H H 1 0.7961 0.00107 . . . 100 SER N . 100 SER H 19188 1 89 . 1 1 105 105 VAL N N 15 . 1 1 105 105 VAL H H 1 0.81964 0.00521 . . . 101 VAL N . 101 VAL H 19188 1 90 . 1 1 107 107 GLU N N 15 . 1 1 107 107 GLU H H 1 0.82833 0.01714 . . . 103 GLU N . 103 GLU H 19188 1 91 . 1 1 108 108 LEU N N 15 . 1 1 108 108 LEU H H 1 0.79348 0.02619 . . . 104 LEU N . 104 LEU H 19188 1 92 . 1 1 109 109 ASN N N 15 . 1 1 109 109 ASN H H 1 0.77309 0.01575 . . . 105 ASN N . 105 ASN H 19188 1 93 . 1 1 110 110 GLY N N 15 . 1 1 110 110 GLY H H 1 0.79832 0.02497 . . . 106 GLY N . 106 GLY H 19188 1 94 . 1 1 111 111 ASP N N 15 . 1 1 111 111 ASP H H 1 0.79292 0.02013 . . . 107 ASP N . 107 ASP H 19188 1 95 . 1 1 112 112 ILE N N 15 . 1 1 112 112 ILE H H 1 0.81333 0.02707 . . . 108 ILE N . 108 ILE H 19188 1 96 . 1 1 113 113 ILE N N 15 . 1 1 113 113 ILE H H 1 0.80737 0.0064 . . . 109 ILE N . 109 ILE H 19188 1 97 . 1 1 114 114 THR N N 15 . 1 1 114 114 THR H H 1 0.78923 0.00364 . . . 110 THR N . 110 THR H 19188 1 98 . 1 1 115 115 ASN N N 15 . 1 1 115 115 ASN H H 1 0.82009 0.01802 . . . 111 ASN N . 111 ASN H 19188 1 99 . 1 1 116 116 THR N N 15 . 1 1 116 116 THR H H 1 0.81719 0.00363 . . . 112 THR N . 112 THR H 19188 1 100 . 1 1 117 117 MET N N 15 . 1 1 117 117 MET H H 1 0.81519 0.01537 . . . 113 MET N . 113 MET H 19188 1 101 . 1 1 119 119 LEU N N 15 . 1 1 119 119 LEU H H 1 0.80851 0.02401 . . . 115 LEU N . 115 LEU H 19188 1 102 . 1 1 120 120 GLY N N 15 . 1 1 120 120 GLY H H 1 0.81192 0.00783 . . . 116 GLY N . 116 GLY H 19188 1 103 . 1 1 121 121 ASP N N 15 . 1 1 121 121 ASP H H 1 0.80068 0.01108 . . . 117 ASP N . 117 ASP H 19188 1 104 . 1 1 123 123 VAL N N 15 . 1 1 123 123 VAL H H 1 0.77154 0.0095 . . . 119 VAL N . 119 VAL H 19188 1 105 . 1 1 124 124 PHE N N 15 . 1 1 124 124 PHE H H 1 0.82379 0.01086 . . . 120 PHE N . 120 PHE H 19188 1 106 . 1 1 125 125 LYS N N 15 . 1 1 125 125 LYS H H 1 0.82888 0.01705 . . . 121 LYS N . 121 LYS H 19188 1 107 . 1 1 126 126 ARG N N 15 . 1 1 126 126 ARG H H 1 0.79864 0.01307 . . . 122 ARG N . 122 ARG H 19188 1 108 . 1 1 127 127 ILE N N 15 . 1 1 127 127 ILE H H 1 0.80355 0.0149 . . . 123 ILE N . 123 ILE H 19188 1 109 . 1 1 129 129 LYS N N 15 . 1 1 129 129 LYS H H 1 0.85188 0.02396 . . . 125 LYS N . 125 LYS H 19188 1 110 . 1 1 130 130 ARG N N 15 . 1 1 130 130 ARG H H 1 0.7688 0.01018 . . . 126 ARG N . 126 ARG H 19188 1 111 . 1 1 131 131 ILE N N 15 . 1 1 131 131 ILE H H 1 0.79 0.00625 . . . 127 ILE N . 127 ILE H 19188 1 112 . 1 1 132 132 LEU N N 15 . 1 1 132 132 LEU H H 1 0.57356 0.006722 . . . 128 LEU N . 128 LEU H 19188 1 113 . 1 1 133 133 VAL N N 15 . 1 1 133 133 VAL H H 1 0.10716 0.00245 . . . 129 VAL N . 129 VAL H 19188 1 114 . 1 1 135 135 ARG N N 15 . 1 1 135 135 ARG H H 1 -0.2752 0.00634 . . . 131 ARG N . 131 ARG H 19188 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 19188 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 7 'standard Heteronuclear 15N T1' . . . 19188 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 5 5 MET N N 15 0.693866223 0.041838034 . . 1 MET N 19188 1 2 . 1 1 6 6 SER N N 15 0.631951466 0.041094417 . . 2 SER N 19188 1 3 . 1 1 7 7 PHE N N 15 0.687568757 0.023448439 . . 3 PHE N 19188 1 4 . 1 1 8 8 SER N N 15 0.732761779 0.031088816 . . 4 SER N 19188 1 5 . 1 1 9 9 GLY N N 15 0.697155605 0.025078938 . . 5 GLY N 19188 1 6 . 1 1 10 10 LYS N N 15 0.767341928 0.015309154 . . 6 LYS N 19188 1 7 . 1 1 11 11 TYR N N 15 0.741949844 0.019377233 . . 7 TYR N 19188 1 8 . 1 1 13 13 LEU N N 15 0.637877145 0.02107676 . . 9 LEU N 19188 1 9 . 1 1 14 14 GLN N N 15 0.692520776 0.026856761 . . 10 GLN N 19188 1 10 . 1 1 15 15 SER N N 15 0.757002271 0.024813171 . . 11 SER N 19188 1 11 . 1 1 16 16 GLN N N 15 0.694685655 0.033202065 . . 12 GLN N 19188 1 12 . 1 1 17 17 GLU N N 15 0.763300511 0.017362305 . . 13 GLU N 19188 1 13 . 1 1 18 18 ASN N N 15 0.661069611 0.03823864 . . 14 ASN N 19188 1 14 . 1 1 19 19 PHE N N 15 0.659022011 0.015722022 . . 15 PHE N 19188 1 15 . 1 1 20 20 GLU N N 15 0.704473406 0.00863532 . . 16 GLU N 19188 1 16 . 1 1 21 21 ALA N N 15 0.686718857 0.010752088 . . 17 ALA N 19188 1 17 . 1 1 22 22 PHE N N 15 0.669120107 0.01916249 . . 18 PHE N 19188 1 18 . 1 1 23 23 MET N N 15 0.704870656 0.021712023 . . 19 MET N 19188 1 19 . 1 1 24 24 LYS N N 15 0.674627268 0.013699171 . . 20 LYS N 19188 1 20 . 1 1 25 25 ALA N N 15 0.697495989 0.008562412 . . 21 ALA N 19188 1 21 . 1 1 26 26 ILE N N 15 0.721656924 0.021196101 . . 22 ILE N 19188 1 22 . 1 1 27 27 GLY N N 15 0.663790242 0.016038476 . . 23 GLY N 19188 1 23 . 1 1 28 28 LEU N N 15 0.649097754 0.013482493 . . 24 LEU N 19188 1 24 . 1 1 30 30 GLU N N 15 0.72301352 0.013382363 . . 26 GLU N 19188 1 25 . 1 1 31 31 GLU N N 15 0.658154535 0.016980162 . . 27 GLU N 19188 1 26 . 1 1 32 32 LEU N N 15 0.743162901 0.027559326 . . 28 LEU N 19188 1 27 . 1 1 33 33 ILE N N 15 0.789265983 0.025852043 . . 29 ILE N 19188 1 28 . 1 1 34 34 GLN N N 15 0.731903681 0.014142031 . . 30 GLN N 19188 1 29 . 1 1 35 35 LYS N N 15 0.720980534 0.018557322 . . 31 LYS N 19188 1 30 . 1 1 37 37 LYS N N 15 0.71999424 0.027785795 . . 33 LYS N 19188 1 31 . 1 1 39 39 ILE N N 15 0.757575758 0.021464646 . . 35 ILE N 19188 1 32 . 1 1 48 48 ASN N N 15 0.751089079 0.02820674 . . 44 ASN N 19188 1 33 . 1 1 50 50 LYS N N 15 0.749793807 0.041489678 . . 46 LYS N 19188 1 34 . 1 1 51 51 HIS N N 15 0.729767204 0.032752451 . . 47 HIS N 19188 1 35 . 1 1 52 52 PHE N N 15 0.732118017 0.025942245 . . 48 PHE N 19188 1 36 . 1 1 53 53 LYS N N 15 0.738116327 0.029910383 . . 49 LYS N 19188 1 37 . 1 1 54 54 PHE N N 15 0.71864894 0.021226354 . . 50 PHE N 19188 1 38 . 1 1 55 55 THR N N 15 0.724060531 0.040106169 . . 51 THR N 19188 1 39 . 1 1 56 56 ILE N N 15 0.71372493 0.026539911 . . 52 ILE N 19188 1 40 . 1 1 58 58 ALA N N 15 0.674718305 0.017617973 . . 54 ALA N 19188 1 41 . 1 1 59 59 GLY N N 15 0.730673681 0.035343123 . . 55 GLY N 19188 1 42 . 1 1 62 62 VAL N N 15 0.7390983 0.018354548 . . 58 VAL N 19188 1 43 . 1 1 64 64 GLN N N 15 0.722021661 0.017828983 . . 60 GLN N 19188 1 44 . 1 1 65 65 ASN N N 15 0.727907992 0.028241007 . . 61 ASN N 19188 1 45 . 1 1 66 66 GLU N N 15 0.749007565 0.017503585 . . 62 GLU N 19188 1 46 . 1 1 67 67 PHE N N 15 0.738661545 0.024934874 . . 63 PHE N 19188 1 47 . 1 1 69 69 VAL N N 15 0.710378632 0.028713891 . . 65 VAL N 19188 1 48 . 1 1 70 70 GLY N N 15 0.711642471 0.020206757 . . 66 GLY N 19188 1 49 . 1 1 71 71 GLU N N 15 0.691228313 0.02102305 . . 67 GLU N 19188 1 50 . 1 1 72 72 GLU N N 15 0.715870857 0.024752353 . . 68 GLU N 19188 1 51 . 1 1 73 73 CYS N N 15 0.689607613 0.016977444 . . 69 CYS N 19188 1 52 . 1 1 74 74 GLU N N 15 0.754716981 0.018227127 . . 70 GLU N 19188 1 53 . 1 1 75 75 LEU N N 15 0.743162901 0.03037601 . . 71 LEU N 19188 1 54 . 1 1 76 76 GLU N N 15 0.77675936 0.022324139 . . 72 GLU N 19188 1 55 . 1 1 77 77 THR N N 15 0.724900326 0.031108445 . . 73 THR N 19188 1 56 . 1 1 82 82 LYS N N 15 0.819000819 0.034812566 . . 78 LYS N 19188 1 57 . 1 1 83 83 VAL N N 15 0.741179958 0.015216932 . . 79 VAL N 19188 1 58 . 1 1 86 86 VAL N N 15 0.755515261 0.029225129 . . 82 VAL N 19188 1 59 . 1 1 87 87 VAL N N 15 0.681802686 0.029797199 . . 83 VAL N 19188 1 60 . 1 1 88 88 GLN N N 15 0.705119165 0.013523651 . . 84 GLN N 19188 1 61 . 1 1 89 89 LEU N N 15 0.738116327 0.013729356 . . 85 LEU N 19188 1 62 . 1 1 90 90 GLU N N 15 0.706364343 0.020357184 . . 86 GLU N 19188 1 63 . 1 1 91 91 GLY N N 15 0.764701384 0.027308675 . . 87 GLY N 19188 1 64 . 1 1 92 92 ASP N N 15 0.715512307 0.025802676 . . 88 ASP N 19188 1 65 . 1 1 93 93 ASN N N 15 0.698421567 0.019462928 . . 89 ASN N 19188 1 66 . 1 1 94 94 LYS N N 15 0.724637681 0.028355388 . . 90 LYS N 19188 1 67 . 1 1 95 95 LEU N N 15 0.716281069 0.020214508 . . 91 LEU N 19188 1 68 . 1 1 96 96 VAL N N 15 0.760745531 0.011574675 . . 92 VAL N 19188 1 69 . 1 1 97 97 THR N N 15 0.69798283 0.024066694 . . 93 THR N 19188 1 70 . 1 1 98 98 ALA N N 15 0.765931373 0.017834186 . . 94 ALA N 19188 1 71 . 1 1 102 102 ILE N N 15 0.708466171 0.029663727 . . 98 ILE N 19188 1 72 . 1 1 103 103 LYS N N 15 0.71761751 0.033988343 . . 99 LYS N 19188 1 73 . 1 1 104 104 SER N N 15 0.706813684 0.017435537 . . 100 SER N 19188 1 74 . 1 1 105 105 VAL N N 15 0.712809181 0.029368002 . . 101 VAL N 19188 1 75 . 1 1 107 107 GLU N N 15 0.736485491 0.019418309 . . 103 GLU N 19188 1 76 . 1 1 108 108 LEU N N 15 0.730513551 0.022626762 . . 104 LEU N 19188 1 77 . 1 1 109 109 ASN N N 15 0.742942051 0.031627474 . . 105 ASN N 19188 1 78 . 1 1 111 111 ASP N N 15 0.691419484 0.025337228 . . 107 ASP N 19188 1 79 . 1 1 112 112 ILE N N 15 0.718132855 0.022175736 . . 108 ILE N 19188 1 80 . 1 1 113 113 ILE N N 15 0.674900452 0.021681354 . . 109 ILE N 19188 1 81 . 1 1 114 114 THR N N 15 0.743660296 0.029753048 . . 110 THR N 19188 1 82 . 1 1 115 115 ASN N N 15 0.699692135 0.025457592 . . 111 ASN N 19188 1 83 . 1 1 116 116 THR N N 15 0.723693733 0.02681511 . . 112 THR N 19188 1 84 . 1 1 117 117 MET N N 15 0.704622322 0.025519721 . . 113 MET N 19188 1 85 . 1 1 119 119 LEU N N 15 0.738552437 0.027709353 . . 115 LEU N 19188 1 86 . 1 1 120 120 GLY N N 15 0.706813684 0.030424762 . . 116 GLY N 19188 1 87 . 1 1 121 121 ASP N N 15 0.778210117 0.027615861 . . 117 ASP N 19188 1 88 . 1 1 123 123 VAL N N 15 0.736431254 0.012907478 . . 119 VAL N 19188 1 89 . 1 1 124 124 PHE N N 15 0.710328172 0.016953421 . . 120 PHE N 19188 1 90 . 1 1 125 125 LYS N N 15 0.77597579 0.037994935 . . 121 LYS N 19188 1 91 . 1 1 126 126 ARG N N 15 0.729767204 0.02593568 . . 122 ARG N 19188 1 92 . 1 1 127 127 ILE N N 15 0.772141147 0.030764021 . . 123 ILE N 19188 1 93 . 1 1 129 129 LYS N N 15 0.71540993 0.018578753 . . 125 LYS N 19188 1 94 . 1 1 130 130 ARG N N 15 0.678012069 0.021513977 . . 126 ARG N 19188 1 95 . 1 1 131 131 ILE N N 15 0.643749195 0.019850384 . . 127 ILE N 19188 1 96 . 1 1 132 132 LEU N N 15 0.698177756 0.018669418 . . 128 LEU N 19188 1 97 . 1 1 133 133 VAL N N 15 0.743273376 0.032042408 . . 129 VAL N 19188 1 98 . 1 1 135 135 ARG N N 15 0.678380028 0.02535699 . . 131 ARG N 19188 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 19188 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 8 'standard Heteronuclear 15N T2' . . . 19188 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 GLY N N 15 0.358795881 0.019850857 . . . . -1 GLY N 19188 1 2 . 1 1 4 4 SER N N 15 0.290115756 0.01327316 . . . . 0 SER N 19188 1 3 . 1 1 5 5 MET N N 15 0.191964371 0.006017657 . . . . 1 MET N 19188 1 4 . 1 1 6 6 SER N N 15 0.137234451 0.002423845 . . . . 2 SER N 19188 1 5 . 1 1 7 7 PHE N N 15 0.092699884 0.001526164 . . . . 3 PHE N 19188 1 6 . 1 1 8 8 SER N N 15 0.088408731 0.001259956 . . . . 4 SER N 19188 1 7 . 1 1 9 9 GLY N N 15 0.094417116 0.002369498 . . . . 5 GLY N 19188 1 8 . 1 1 10 10 LYS N N 15 0.088443918 0.000741557 . . . . 6 LYS N 19188 1 9 . 1 1 11 11 TYR N N 15 0.093949643 0.001687634 . . . . 7 TYR N 19188 1 10 . 1 1 13 13 LEU N N 15 0.08567879 0.002236024 . . . . 9 LEU N 19188 1 11 . 1 1 14 14 GLN N N 15 0.09324444 0.001018129 . . . . 10 GLN N 19188 1 12 . 1 1 15 15 SER N N 15 0.099354198 0.003281206 . . . . 11 SER N 19188 1 13 . 1 1 16 16 GLN N N 15 0.086457325 0.001034522 . . . . 12 GLN N 19188 1 14 . 1 1 17 17 GLU N N 15 0.093592647 0.001682716 . . . . 13 GLU N 19188 1 15 . 1 1 18 18 ASN N N 15 0.089979035 0.001450034 . . . . 14 ASN N 19188 1 16 . 1 1 19 19 PHE N N 15 0.090495281 0.00230941 . . . . 15 PHE N 19188 1 17 . 1 1 20 20 GLU N N 15 0.09088513 0.000626116 . . . . 16 GLU N 19188 1 18 . 1 1 21 21 ALA N N 15 0.090805078 0.000803942 . . . . 17 ALA N 19188 1 19 . 1 1 22 22 PHE N N 15 0.083905992 0.001472109 . . . . 18 PHE N 19188 1 20 . 1 1 23 23 MET N N 15 0.093746192 0.004347596 . . . . 19 MET N 19188 1 21 . 1 1 24 24 LYS N N 15 0.082835629 0.000981915 . . . . 20 LYS N 19188 1 22 . 1 1 25 25 ALA N N 15 0.088756346 0.001035916 . . . . 21 ALA N 19188 1 23 . 1 1 26 26 ILE N N 15 0.061838712 0.001487929 . . . . 22 ILE N 19188 1 24 . 1 1 27 27 GLY N N 15 0.089446238 0.004941189 . . . . 23 GLY N 19188 1 25 . 1 1 28 28 LEU N N 15 0.088888099 0.001362149 . . . . 24 LEU N 19188 1 26 . 1 1 30 30 GLU N N 15 0.098262715 0.002668797 . . . . 26 GLU N 19188 1 27 . 1 1 31 31 GLU N N 15 0.091897406 0.000955989 . . . . 27 GLU N 19188 1 28 . 1 1 32 32 LEU N N 15 0.089479053 0.001531644 . . . . 28 LEU N 19188 1 29 . 1 1 33 33 ILE N N 15 0.078173248 0.000791382 . . . . 29 ILE N 19188 1 30 . 1 1 34 34 GLN N N 15 0.089593693 0.001350949 . . . . 30 GLN N 19188 1 31 . 1 1 35 35 LYS N N 15 0.09778421 0.001211474 . . . . 31 LYS N 19188 1 32 . 1 1 36 36 GLY N N 15 0.092611458 0.001330274 . . . . 32 GLY N 19188 1 33 . 1 1 37 37 LYS N N 15 0.082167918 0.000721742 . . . . 33 LYS N 19188 1 34 . 1 1 38 38 ASP N N 15 0.097900044 0.001220096 . . . . 34 ASP N 19188 1 35 . 1 1 39 39 ILE N N 15 0.097119437 0.001236559 . . . . 35 ILE N 19188 1 36 . 1 1 42 42 VAL N N 15 0.086123001 0.001829074 . . . . 38 VAL N 19188 1 37 . 1 1 47 47 GLN N N 15 0.094118533 0.004321964 . . . . 43 GLN N 19188 1 38 . 1 1 48 48 ASN N N 15 0.08907813 0.000799839 . . . . 44 ASN N 19188 1 39 . 1 1 50 50 LYS N N 15 0.102077272 0.00251429 . . . . 46 LYS N 19188 1 40 . 1 1 51 51 HIS N N 15 0.079814193 0.000913502 . . . . 47 HIS N 19188 1 41 . 1 1 52 52 PHE N N 15 0.094716702 0.001210222 . . . . 48 PHE N 19188 1 42 . 1 1 53 53 LYS N N 15 0.088826513 0.001215872 . . . . 49 LYS N 19188 1 43 . 1 1 54 54 PHE N N 15 0.073050288 0.001460024 . . . . 50 PHE N 19188 1 44 . 1 1 55 55 THR N N 15 0.067058737 0.001116574 . . . . 51 THR N 19188 1 45 . 1 1 56 56 ILE N N 15 0.078251547 0.001376519 . . . . 52 ILE N 19188 1 46 . 1 1 59 59 GLY N N 15 0.098794705 0.002399105 . . . . 55 GLY N 19188 1 47 . 1 1 61 61 LYS N N 15 0.060047077 0.00127604 . . . . 57 LYS N 19188 1 48 . 1 1 65 65 ASN N N 15 0.087695451 0.001278929 . . . . 61 ASN N 19188 1 49 . 1 1 66 66 GLU N N 15 0.07840616 0.001270079 . . . . 62 GLU N 19188 1 50 . 1 1 67 67 PHE N N 15 0.081827704 0.001650508 . . . . 63 PHE N 19188 1 51 . 1 1 69 69 VAL N N 15 0.077007785 0.002245173 . . . . 65 VAL N 19188 1 52 . 1 1 70 70 GLY N N 15 0.095575796 0.004024763 . . . . 66 GLY N 19188 1 53 . 1 1 71 71 GLU N N 15 0.091626275 0.002200428 . . . . 67 GLU N 19188 1 54 . 1 1 72 72 GLU N N 15 0.102822477 0.000776019 . . . . 68 GLU N 19188 1 55 . 1 1 73 73 CYS N N 15 0.093632959 0.001080111 . . . . 69 CYS N 19188 1 56 . 1 1 74 74 GLU N N 15 0.0858487 0.000915354 . . . . 70 GLU N 19188 1 57 . 1 1 75 75 LEU N N 15 0.101306858 0.003182581 . . . . 71 LEU N 19188 1 58 . 1 1 76 76 GLU N N 15 0.087753168 0.001911294 . . . . 72 GLU N 19188 1 59 . 1 1 77 77 THR N N 15 0.083877137 0.00112777 . . . . 73 THR N 19188 1 60 . 1 1 80 80 GLY N N 15 0.088723272 0.001732587 . . . . 76 GLY N 19188 1 61 . 1 1 81 81 GLU N N 15 0.104037703 0.001367051 . . . . 77 GLU N 19188 1 62 . 1 1 83 83 VAL N N 15 0.059664447 0.00096187 . . . . 79 VAL N 19188 1 63 . 1 1 86 86 VAL N N 15 0.098531875 0.001159199 . . . . 82 VAL N 19188 1 64 . 1 1 87 87 VAL N N 15 0.100060036 0.003334 . . . . 83 VAL N 19188 1 65 . 1 1 88 88 GLN N N 15 0.085786837 0.002257858 . . . . 84 GLN N 19188 1 66 . 1 1 89 89 LEU N N 15 0.093426511 0.002177764 . . . . 85 LEU N 19188 1 67 . 1 1 90 90 GLU N N 15 0.094769662 0.003094054 . . . . 86 GLU N 19188 1 68 . 1 1 91 91 GLY N N 15 0.121228285 0.002113328 . . . . 87 GLY N 19188 1 69 . 1 1 92 92 ASP N N 15 0.117735707 0.002888778 . . . . 88 ASP N 19188 1 70 . 1 1 93 93 ASN N N 15 0.110078816 0.001292921 . . . . 89 ASN N 19188 1 71 . 1 1 94 94 LYS N N 15 0.087223502 0.001657009 . . . . 90 LYS N 19188 1 72 . 1 1 95 95 LEU N N 15 0.102530452 0.004675957 . . . . 91 LEU N 19188 1 73 . 1 1 96 96 VAL N N 15 0.085627435 0.001672442 . . . . 92 VAL N 19188 1 74 . 1 1 97 97 THR N N 15 0.081544119 0.001349172 . . . . 93 THR N 19188 1 75 . 1 1 98 98 ALA N N 15 0.104215518 0.001042644 . . . . 94 ALA N 19188 1 76 . 1 1 103 103 LYS N N 15 0.073804006 0.001860706 . . . . 99 LYS N 19188 1 77 . 1 1 104 104 SER N N 15 0.062910095 0.000941532 . . . . 100 SER N 19188 1 78 . 1 1 105 105 VAL N N 15 0.080419468 0.001850292 . . . . 101 VAL N 19188 1 79 . 1 1 107 107 GLU N N 15 0.094852362 0.001716622 . . . . 103 GLU N 19188 1 80 . 1 1 108 108 LEU N N 15 0.084243159 0.001591127 . . . . 104 LEU N 19188 1 81 . 1 1 109 109 ASN N N 15 0.099721776 0.002148992 . . . . 105 ASN N 19188 1 82 . 1 1 110 110 GLY N N 15 0.103575424 0.003459738 . . . . 106 GLY N 19188 1 83 . 1 1 111 111 ASP N N 15 0.099112939 0.003873357 . . . . 107 ASP N 19188 1 84 . 1 1 112 112 ILE N N 15 0.088643052 0.001336576 . . . . 108 ILE N 19188 1 85 . 1 1 113 113 ILE N N 15 0.084231806 0.003590069 . . . . 109 ILE N 19188 1 86 . 1 1 114 114 THR N N 15 0.085658974 0.000890034 . . . . 110 THR N 19188 1 87 . 1 1 115 115 ASN N N 15 0.088248012 0.001802076 . . . . 111 ASN N 19188 1 88 . 1 1 116 116 THR N N 15 0.085711837 0.001029982 . . . . 112 THR N 19188 1 89 . 1 1 117 117 MET N N 15 0.07888924 0.001526628 . . . . 113 MET N 19188 1 90 . 1 1 120 120 GLY N N 15 0.08933836 0.001596269 . . . . 116 GLY N 19188 1 91 . 1 1 121 121 ASP N N 15 0.095807465 0.001404398 . . . . 117 ASP N 19188 1 92 . 1 1 123 123 VAL N N 15 0.091138594 0.001921234 . . . . 119 VAL N 19188 1 93 . 1 1 124 124 PHE N N 15 0.092600309 0.008020884 . . . . 120 PHE N 19188 1 94 . 1 1 125 125 LYS N N 15 0.07862377 0.005209934 . . . . 121 LYS N 19188 1 95 . 1 1 126 126 ARG N N 15 0.097076069 0.001977106 . . . . 122 ARG N 19188 1 96 . 1 1 127 127 ILE N N 15 0.085094796 0.001530774 . . . . 123 ILE N 19188 1 97 . 1 1 129 129 LYS N N 15 0.090556743 0.001684388 . . . . 125 LYS N 19188 1 98 . 1 1 130 130 ARG N N 15 0.085399284 0.003755914 . . . . 126 ARG N 19188 1 99 . 1 1 131 131 ILE N N 15 0.096859805 0.003293958 . . . . 127 ILE N 19188 1 100 . 1 1 132 132 LEU N N 15 0.111310233 0.000970134 . . . . 128 LEU N 19188 1 101 . 1 1 133 133 VAL N N 15 0.194912777 0.006010175 . . . . 129 VAL N 19188 1 102 . 1 1 135 135 ARG N N 15 0.322424633 0.008316612 . . . . 131 ARG N 19188 1 stop_ save_