data_5319 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5319 _Entry.Title ; 1H and 15N assignments of rat holo cellular retinol-binding protein type I (CRBP-I) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-03-13 _Entry.Accession_date 2002-03-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Lorella Franzoni . . . 5319 2 Christian Luecke . . . 5319 3 Carlos Perez . . . 5319 4 Davide Cavazzini . . . 5319 5 Martin Rademacher . . . 5319 6 Christian Ludwig . . . 5319 7 Alberto Spisni . . . 5319 8 'Gian Luigi' Rossi . . . 5319 9 Heinz Rueterjans . . . 5319 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5319 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1029 5319 '15N chemical shifts' 159 5319 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 . . 2002-06-26 . update author 'Add the PubMed ID of the citation.' 5319 2 . . 2002-06-13 . original author 'Original release.' 5319 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5048 'chemical shift assignments of the apo protein' 5319 BMRB 5330 'relaxation data of the apo protein' 5319 BMRB 5331 'relaxation data of the holo protein' 5319 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5319 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11934897 _Citation.Full_citation . _Citation.Title ; Structure and backbone dynamics of apo- and holo-cellular retinol-binding protein in solution ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 277 _Citation.Journal_issue 24 _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 21983 _Citation.Page_last 21997 _Citation.Year 2002 _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 Lorella Franzoni . . . 5319 1 2 Christian Luecke . . . 5319 1 3 Carlos Perez . . . 5319 1 4 Davide Cavazzini . . . 5319 1 5 Martin Rademacher . . . 5319 1 6 Christian Ludwig . . . 5319 1 7 Alberto Spisni . . . 5319 1 8 'Gian Luigi' Rossi . . . 5319 1 9 Heinz Rueterjans . . . 5319 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'beta barrel' 5319 1 'lipid binding protein' 5319 1 'retinoid carrier' 5319 1 'holo form' 5319 1 '15N isotope enrichment' 5319 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CRBP-I _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CRBP-I _Assembly.Entry_ID 5319 _Assembly.ID 1 _Assembly.Name 'cellular retinol-binding protein type I' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; The sequence is identical with SWISS-PROT entry P02696, except that it starts with an additional N-terminal methionine residue that should be numbered as M0, since it occurs only in the recombinantly-expressed protein. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5319 1 stop_ 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 'cellular retinol-binding protein type I' 1 $CRBP-I . . . native . . . . . 5319 1 2 retinol 2 $RTL . . . native . . . . . 5319 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1JBH . . . . . 'solution structure of the apo protein' 5319 1 . PDB 1KGL . . . . . 'solution structure of the holo protein' 5319 1 . SWISS-PROT P02696 . . . . . . 5319 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'cellular retinol-binding protein type I' system 5319 1 CRBP-I abbreviation 5319 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'lipid binding' 5319 1 'retinoid carrier' 5319 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CRBP-I _Entity.Sf_category entity _Entity.Sf_framecode CRBP-I _Entity.Entry_ID 5319 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'cellular retinol-binding protein type I' _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 ; MPVDFNGYWKMLSNENFEEY LRALDVNVALRKIANLLKPD KEIVQDGDHMIIRTLSTFRN YIMDFQVGKEFEEDLTGIDD RKCMTTVSWDGDKLQCVQKG EKEGRGWTQWIEGDELHLEM RAEGVTCKQVFKKVH ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15703 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The above molecular mass excludes MET 0.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 5048 . CRBP-I . . . . . 100.00 135 100.00 100.00 1.89e-94 . . . . 5319 1 2 no BMRB 5330 . CRBP-I . . . . . 100.00 135 100.00 100.00 1.89e-94 . . . . 5319 1 3 no BMRB 5331 . CRBP-I . . . . . 100.00 135 100.00 100.00 1.89e-94 . . . . 5319 1 4 no BMRB 5578 . CRBP_I . . . . . 99.26 134 100.00 100.00 1.01e-93 . . . . 5319 1 5 no BMRB 5579 . CRBP_I . . . . . 99.26 134 100.00 100.00 1.01e-93 . . . . 5319 1 6 no PDB 1CRB . "Crystallographic Studies On A Family Of Cellular Lipophilic Transport Proteins. Refinement Of P2 Myelin Protein And The Structu" . . . . . 99.26 134 100.00 100.00 1.01e-93 . . . . 5319 1 7 no PDB 1JBH . "Solution Structure Of Cellular Retinol Binding Protein Type- I In The Ligand-Free State" . . . . . 100.00 135 100.00 100.00 1.89e-94 . . . . 5319 1 8 no PDB 1KGL . "Solution Structure Of Cellular Retinol Binding Protein Type- I In Complex With All-Trans-Retinol" . . . . . 100.00 135 100.00 100.00 1.89e-94 . . . . 5319 1 9 no PDB 1MX7 . "Two Homologous Rat Cellular Retinol-Binding Proteins Differ In Local Structure And Flexibility" . . . . . 99.26 134 100.00 100.00 1.01e-93 . . . . 5319 1 10 no PDB 1MX8 . "Two Homologous Rat Cellular Retinol-Binding Proteins Differ In Local Structure And Flexibility" . . . . . 99.26 134 100.00 100.00 1.01e-93 . . . . 5319 1 11 no DBJ BAB27753 . "unnamed protein product [Mus musculus]" . . . . . 100.00 135 99.26 99.26 1.22e-93 . . . . 5319 1 12 no EMBL CAA42919 . "cellular retinol binding protein I [Mus musculus]" . . . . . 100.00 135 99.26 99.26 1.22e-93 . . . . 5319 1 13 no GB AAA35714 . "retinol-binding protein, partial [Homo sapiens]" . . . . . 89.63 121 98.35 98.35 1.60e-81 . . . . 5319 1 14 no GB AAA40962 . "cytosolic retinol-binding protein [Rattus norvegicus]" . . . . . 100.00 135 100.00 100.00 1.89e-94 . . . . 5319 1 15 no GB AAA42021 . "cellular retinol binding protein [Rattus norvegicus]" . . . . . 100.00 135 100.00 100.00 1.89e-94 . . . . 5319 1 16 no GB AAH18254 . "Retinol binding protein 1, cellular [Mus musculus]" . . . . . 100.00 135 99.26 99.26 1.22e-93 . . . . 5319 1 17 no GB AAH91751 . "Rbp1 protein [Mus musculus]" . . . . . 100.00 135 99.26 99.26 1.22e-93 . . . . 5319 1 18 no REF NP_035384 . "retinol-binding protein 1 [Mus musculus]" . . . . . 100.00 135 99.26 99.26 1.22e-93 . . . . 5319 1 19 no REF NP_036865 . "retinol-binding protein 1 [Rattus norvegicus]" . . . . . 100.00 135 100.00 100.00 1.89e-94 . . . . 5319 1 20 no REF XP_005080789 . "PREDICTED: retinol-binding protein 1 [Mesocricetus auratus]" . . . . . 100.00 135 98.52 99.26 2.93e-93 . . . . 5319 1 21 no REF XP_005366741 . "PREDICTED: retinol-binding protein 1 [Microtus ochrogaster]" . . . . . 100.00 135 97.78 99.26 9.11e-93 . . . . 5319 1 22 no REF XP_006083819 . "PREDICTED: retinol-binding protein 1 [Myotis lucifugus]" . . . . . 100.00 135 97.04 97.78 7.92e-92 . . . . 5319 1 23 no SP P02696 . "RecName: Full=Retinol-binding protein 1; AltName: Full=Cellular retinol-binding protein; Short=CRBP; AltName: Full=Cellular ret" . . . . . 100.00 135 100.00 100.00 1.89e-94 . . . . 5319 1 24 no SP Q00915 . "RecName: Full=Retinol-binding protein 1; AltName: Full=Cellular retinol-binding protein; Short=CRBP; AltName: Full=Cellular ret" . . . . . 100.00 135 99.26 99.26 1.22e-93 . . . . 5319 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'cellular retinol-binding protein type I' common 5319 1 CRBP-I abbreviation 5319 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 0 MET . 5319 1 2 1 PRO . 5319 1 3 2 VAL . 5319 1 4 3 ASP . 5319 1 5 4 PHE . 5319 1 6 5 ASN . 5319 1 7 6 GLY . 5319 1 8 7 TYR . 5319 1 9 8 TRP . 5319 1 10 9 LYS . 5319 1 11 10 MET . 5319 1 12 11 LEU . 5319 1 13 12 SER . 5319 1 14 13 ASN . 5319 1 15 14 GLU . 5319 1 16 15 ASN . 5319 1 17 16 PHE . 5319 1 18 17 GLU . 5319 1 19 18 GLU . 5319 1 20 19 TYR . 5319 1 21 20 LEU . 5319 1 22 21 ARG . 5319 1 23 22 ALA . 5319 1 24 23 LEU . 5319 1 25 24 ASP . 5319 1 26 25 VAL . 5319 1 27 26 ASN . 5319 1 28 27 VAL . 5319 1 29 28 ALA . 5319 1 30 29 LEU . 5319 1 31 30 ARG . 5319 1 32 31 LYS . 5319 1 33 32 ILE . 5319 1 34 33 ALA . 5319 1 35 34 ASN . 5319 1 36 35 LEU . 5319 1 37 36 LEU . 5319 1 38 37 LYS . 5319 1 39 38 PRO . 5319 1 40 39 ASP . 5319 1 41 40 LYS . 5319 1 42 41 GLU . 5319 1 43 42 ILE . 5319 1 44 43 VAL . 5319 1 45 44 GLN . 5319 1 46 45 ASP . 5319 1 47 46 GLY . 5319 1 48 47 ASP . 5319 1 49 48 HIS . 5319 1 50 49 MET . 5319 1 51 50 ILE . 5319 1 52 51 ILE . 5319 1 53 52 ARG . 5319 1 54 53 THR . 5319 1 55 54 LEU . 5319 1 56 55 SER . 5319 1 57 56 THR . 5319 1 58 57 PHE . 5319 1 59 58 ARG . 5319 1 60 59 ASN . 5319 1 61 60 TYR . 5319 1 62 61 ILE . 5319 1 63 62 MET . 5319 1 64 63 ASP . 5319 1 65 64 PHE . 5319 1 66 65 GLN . 5319 1 67 66 VAL . 5319 1 68 67 GLY . 5319 1 69 68 LYS . 5319 1 70 69 GLU . 5319 1 71 70 PHE . 5319 1 72 71 GLU . 5319 1 73 72 GLU . 5319 1 74 73 ASP . 5319 1 75 74 LEU . 5319 1 76 75 THR . 5319 1 77 76 GLY . 5319 1 78 77 ILE . 5319 1 79 78 ASP . 5319 1 80 79 ASP . 5319 1 81 80 ARG . 5319 1 82 81 LYS . 5319 1 83 82 CYS . 5319 1 84 83 MET . 5319 1 85 84 THR . 5319 1 86 85 THR . 5319 1 87 86 VAL . 5319 1 88 87 SER . 5319 1 89 88 TRP . 5319 1 90 89 ASP . 5319 1 91 90 GLY . 5319 1 92 91 ASP . 5319 1 93 92 LYS . 5319 1 94 93 LEU . 5319 1 95 94 GLN . 5319 1 96 95 CYS . 5319 1 97 96 VAL . 5319 1 98 97 GLN . 5319 1 99 98 LYS . 5319 1 100 99 GLY . 5319 1 101 100 GLU . 5319 1 102 101 LYS . 5319 1 103 102 GLU . 5319 1 104 103 GLY . 5319 1 105 104 ARG . 5319 1 106 105 GLY . 5319 1 107 106 TRP . 5319 1 108 107 THR . 5319 1 109 108 GLN . 5319 1 110 109 TRP . 5319 1 111 110 ILE . 5319 1 112 111 GLU . 5319 1 113 112 GLY . 5319 1 114 113 ASP . 5319 1 115 114 GLU . 5319 1 116 115 LEU . 5319 1 117 116 HIS . 5319 1 118 117 LEU . 5319 1 119 118 GLU . 5319 1 120 119 MET . 5319 1 121 120 ARG . 5319 1 122 121 ALA . 5319 1 123 122 GLU . 5319 1 124 123 GLY . 5319 1 125 124 VAL . 5319 1 126 125 THR . 5319 1 127 126 CYS . 5319 1 128 127 LYS . 5319 1 129 128 GLN . 5319 1 130 129 VAL . 5319 1 131 130 PHE . 5319 1 132 131 LYS . 5319 1 133 132 LYS . 5319 1 134 133 VAL . 5319 1 135 134 HIS . 5319 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 5319 1 . PRO 2 2 5319 1 . VAL 3 3 5319 1 . ASP 4 4 5319 1 . PHE 5 5 5319 1 . ASN 6 6 5319 1 . GLY 7 7 5319 1 . TYR 8 8 5319 1 . TRP 9 9 5319 1 . LYS 10 10 5319 1 . MET 11 11 5319 1 . LEU 12 12 5319 1 . SER 13 13 5319 1 . ASN 14 14 5319 1 . GLU 15 15 5319 1 . ASN 16 16 5319 1 . PHE 17 17 5319 1 . GLU 18 18 5319 1 . GLU 19 19 5319 1 . TYR 20 20 5319 1 . LEU 21 21 5319 1 . ARG 22 22 5319 1 . ALA 23 23 5319 1 . LEU 24 24 5319 1 . ASP 25 25 5319 1 . VAL 26 26 5319 1 . ASN 27 27 5319 1 . VAL 28 28 5319 1 . ALA 29 29 5319 1 . LEU 30 30 5319 1 . ARG 31 31 5319 1 . LYS 32 32 5319 1 . ILE 33 33 5319 1 . ALA 34 34 5319 1 . ASN 35 35 5319 1 . LEU 36 36 5319 1 . LEU 37 37 5319 1 . LYS 38 38 5319 1 . PRO 39 39 5319 1 . ASP 40 40 5319 1 . LYS 41 41 5319 1 . GLU 42 42 5319 1 . ILE 43 43 5319 1 . VAL 44 44 5319 1 . GLN 45 45 5319 1 . ASP 46 46 5319 1 . GLY 47 47 5319 1 . ASP 48 48 5319 1 . HIS 49 49 5319 1 . MET 50 50 5319 1 . ILE 51 51 5319 1 . ILE 52 52 5319 1 . ARG 53 53 5319 1 . THR 54 54 5319 1 . LEU 55 55 5319 1 . SER 56 56 5319 1 . THR 57 57 5319 1 . PHE 58 58 5319 1 . ARG 59 59 5319 1 . ASN 60 60 5319 1 . TYR 61 61 5319 1 . ILE 62 62 5319 1 . MET 63 63 5319 1 . ASP 64 64 5319 1 . PHE 65 65 5319 1 . GLN 66 66 5319 1 . VAL 67 67 5319 1 . GLY 68 68 5319 1 . LYS 69 69 5319 1 . GLU 70 70 5319 1 . PHE 71 71 5319 1 . GLU 72 72 5319 1 . GLU 73 73 5319 1 . ASP 74 74 5319 1 . LEU 75 75 5319 1 . THR 76 76 5319 1 . GLY 77 77 5319 1 . ILE 78 78 5319 1 . ASP 79 79 5319 1 . ASP 80 80 5319 1 . ARG 81 81 5319 1 . LYS 82 82 5319 1 . CYS 83 83 5319 1 . MET 84 84 5319 1 . THR 85 85 5319 1 . THR 86 86 5319 1 . VAL 87 87 5319 1 . SER 88 88 5319 1 . TRP 89 89 5319 1 . ASP 90 90 5319 1 . GLY 91 91 5319 1 . ASP 92 92 5319 1 . LYS 93 93 5319 1 . LEU 94 94 5319 1 . GLN 95 95 5319 1 . CYS 96 96 5319 1 . VAL 97 97 5319 1 . GLN 98 98 5319 1 . LYS 99 99 5319 1 . GLY 100 100 5319 1 . GLU 101 101 5319 1 . LYS 102 102 5319 1 . GLU 103 103 5319 1 . GLY 104 104 5319 1 . ARG 105 105 5319 1 . GLY 106 106 5319 1 . TRP 107 107 5319 1 . THR 108 108 5319 1 . GLN 109 109 5319 1 . TRP 110 110 5319 1 . ILE 111 111 5319 1 . GLU 112 112 5319 1 . GLY 113 113 5319 1 . ASP 114 114 5319 1 . GLU 115 115 5319 1 . LEU 116 116 5319 1 . HIS 117 117 5319 1 . LEU 118 118 5319 1 . GLU 119 119 5319 1 . MET 120 120 5319 1 . ARG 121 121 5319 1 . ALA 122 122 5319 1 . GLU 123 123 5319 1 . GLY 124 124 5319 1 . VAL 125 125 5319 1 . THR 126 126 5319 1 . CYS 127 127 5319 1 . LYS 128 128 5319 1 . GLN 129 129 5319 1 . VAL 130 130 5319 1 . PHE 131 131 5319 1 . LYS 132 132 5319 1 . LYS 133 133 5319 1 . VAL 134 134 5319 1 . HIS 135 135 5319 1 stop_ save_ save_RTL _Entity.Sf_category entity _Entity.Sf_framecode RTL _Entity.Entry_ID 5319 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RTL _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID RTL _Entity.Nonpolymer_comp_label $chem_comp_RTL _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . RTL . 5319 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 5319 _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 $CRBP-I . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 5319 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 5319 _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 $CRBP-I . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pET11b . . . . . . 5319 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_RTL _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_RTL _Chem_comp.Entry_ID 5319 _Chem_comp.ID RTL _Chem_comp.Provenance . _Chem_comp.Name RETINOL _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code RTL _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code RTL _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C20 H30 O' _Chem_comp.Formula_weight 286.452 _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 yes _Chem_comp.Model_coordinates_db_code 1AQB _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:43:34 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID OC/C=C(/C=C/C=C(/C=C/C1=C(CCCC1(C)C)C)C)C SMILES ACDLabs 10.04 5319 RTL CC(=C\CO)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C SMILES_CANONICAL CACTVS 3.341 5319 RTL CC(=CCO)C=CC=C(C)C=CC1=C(C)CCCC1(C)C SMILES CACTVS 3.341 5319 RTL CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=CCO)C)\C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5319 RTL CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C SMILES 'OpenEye OEToolkits' 1.5.0 5319 RTL InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ InChI InChI 1.03 5319 RTL FPIPGXGPPPQFEQ-OVSJKPMPSA-N InChIKey InChI 1.03 5319 RTL 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 retinol 'SYSTEMATIC NAME' ACDLabs 10.04 5319 RTL (4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraen-1-ol 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5319 RTL stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . N 0 . . . . no no . . . . 0.507 . 4.585 . -7.709 . . . . 1 . 5319 RTL C2 . C2 . . C . . N 0 . . . . no no . . . . 0.780 . 6.020 . -8.208 . . . . 2 . 5319 RTL C3 . C3 . . C . . N 0 . . . . no no . . . . -0.086 . 7.022 . -7.465 . . . . 3 . 5319 RTL C4 . C4 . . C . . N 0 . . . . no no . . . . -0.682 . 7.049 . -6.069 . . . . 4 . 5319 RTL C5 . C5 . . C . . N 0 . . . . no no . . . . -0.603 . 5.593 . -5.622 . . . . 5 . 5319 RTL C6 . C6 . . C . . N 0 . . . . no no . . . . -0.146 . 4.500 . -6.320 . . . . 6 . 5319 RTL C7 . C7 . . C . . N 0 . . . . no no . . . . -0.288 . 3.138 . -5.805 . . . . 7 . 5319 RTL C8 . C8 . . C . . N 0 . . . . no no . . . . -1.467 . 2.550 . -5.517 . . . . 8 . 5319 RTL C9 . C9 . . C . . N 0 . . . . no no . . . . -1.531 . 1.175 . -5.043 . . . . 9 . 5319 RTL C10 . C10 . . C . . N 0 . . . . no no . . . . -2.732 . 0.697 . -4.592 . . . . 10 . 5319 RTL C11 . C11 . . C . . N 0 . . . . no no . . . . -3.071 . -0.664 . -4.129 . . . . 11 . 5319 RTL C12 . C12 . . C . . N 0 . . . . no no . . . . -4.419 . -0.846 . -4.040 . . . . 12 . 5319 RTL C13 . C13 . . C . . N 0 . . . . no no . . . . -5.257 . -2.000 . -3.734 . . . . 13 . 5319 RTL C14 . C14 . . C . . N 0 . . . . no no . . . . -6.485 . -2.094 . -3.147 . . . . 14 . 5319 RTL C15 . C15 . . C . . N 0 . . . . no no . . . . -6.895 . -3.403 . -2.612 . . . . 15 . 5319 RTL O1 . O1 . . O . . N 0 . . . . no no . . . . -7.316 . -3.327 . -1.315 . . . . 16 . 5319 RTL C16 . C16 . . C . . N 0 . . . . no no . . . . 1.944 . 4.031 . -7.690 . . . . 17 . 5319 RTL C17 . C17 . . C . . N 0 . . . . no no . . . . -0.274 . 3.923 . -8.847 . . . . 18 . 5319 RTL C18 . C18 . . C . . N 0 . . . . no no . . . . -1.516 . 5.371 . -4.416 . . . . 19 . 5319 RTL C19 . C19 . . C . . N 0 . . . . no no . . . . -0.216 . 0.485 . -4.685 . . . . 20 . 5319 RTL C20 . C20 . . C . . N 0 . . . . no no . . . . -4.209 . -3.037 . -3.331 . . . . 21 . 5319 RTL H21 . H21 . . H . . N 0 . . . . no no . . . . 1.862 . 6.281 . -8.142 . . . . 22 . 5319 RTL H22 . H22 . . H . . N 0 . . . . no no . . . . 0.653 . 6.104 . -9.312 . . . . 23 . 5319 RTL H31 . H31 . . H . . N 0 . . . . no no . . . . 0.487 . 7.976 . -7.532 . . . . 24 . 5319 RTL H32 . H32 . . H . . N 0 . . . . no no . . . . -0.964 . 7.169 . -8.136 . . . . 25 . 5319 RTL H41 . H41 . . H . . N 0 . . . . no no . . . . -0.197 . 7.773 . -5.373 . . . . 26 . 5319 RTL H42 . H42 . . H . . N 0 . . . . no no . . . . -1.701 . 7.496 . -6.010 . . . . 27 . 5319 RTL H7 . H7 . . H . . N 0 . . . . no no . . . . 0.582 . 2.488 . -5.614 . . . . 28 . 5319 RTL H8 . H8 . . H . . N 0 . . . . no no . . . . -2.359 . 3.180 . -5.665 . . . . 29 . 5319 RTL H10 . H10 . . H . . N 0 . . . . no no . . . . -3.502 . 1.486 . -4.602 . . . . 30 . 5319 RTL H11 . H11 . . H . . N 0 . . . . no no . . . . -2.373 . -1.478 . -3.870 . . . . 31 . 5319 RTL H12 . H12 . . H . . N 0 . . . . no no . . . . -4.921 . 0.112 . -4.253 . . . . 32 . 5319 RTL H14 . H14 . . H . . N 0 . . . . no no . . . . -7.100 . -1.179 . -3.107 . . . . 33 . 5319 RTL H151 . H151 . . H . . N 0 . . . . no no . . . . -7.669 . -3.876 . -3.258 . . . . 34 . 5319 RTL H152 . H152 . . H . . N 0 . . . . no no . . . . -6.081 . -4.156 . -2.726 . . . . 35 . 5319 RTL HO1 . HO1 . . H . . N 0 . . . . no no . . . . -7.580 . -4.171 . -0.969 . . . . 36 . 5319 RTL H161 . H161 . . H . . N 0 . . . . no no . . . . 1.746 . 2.994 . -7.329 . . . . 37 . 5319 RTL H162 . H162 . . H . . N 0 . . . . no no . . . . 2.509 . 4.113 . -8.647 . . . . 38 . 5319 RTL H163 . H163 . . H . . N 0 . . . . no no . . . . 2.684 . 4.619 . -7.098 . . . . 39 . 5319 RTL H171 . H171 . . H . . N 0 . . . . no no . . . . -0.471 . 2.886 . -8.486 . . . . 40 . 5319 RTL H172 . H172 . . H . . N 0 . . . . no no . . . . -1.190 . 4.479 . -9.153 . . . . 41 . 5319 RTL H173 . H173 . . H . . N 0 . . . . no no . . . . 0.237 . 3.970 . -9.836 . . . . 42 . 5319 RTL H181 . H181 . . H . . N 0 . . . . no no . . . . -1.458 . 4.306 . -4.089 . . . . 43 . 5319 RTL H182 . H182 . . H . . N 0 . . . . no no . . . . -1.290 . 6.077 . -3.583 . . . . 44 . 5319 RTL H183 . H183 . . H . . N 0 . . . . no no . . . . -2.564 . 5.690 . -4.619 . . . . 45 . 5319 RTL H191 . H191 . . H . . N 0 . . . . no no . . . . -0.265 . -0.568 . -4.322 . . . . 46 . 5319 RTL H192 . H192 . . H . . N 0 . . . . no no . . . . 0.477 . 0.541 . -5.556 . . . . 47 . 5319 RTL H193 . H193 . . H . . N 0 . . . . no no . . . . 0.333 . 1.105 . -3.938 . . . . 48 . 5319 RTL H201 . H201 . . H . . N 0 . . . . no no . . . . -4.849 . -3.919 . -3.097 . . . . 49 . 5319 RTL H202 . H202 . . H . . N 0 . . . . no no . . . . -3.405 . -3.218 . -4.082 . . . . 50 . 5319 RTL H203 . H203 . . H . . N 0 . . . . no no . . . . -3.516 . -2.722 . -2.516 . . . . 51 . 5319 RTL 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 . SING C1 C2 no N 1 . 5319 RTL 2 . SING C1 C6 no N 2 . 5319 RTL 3 . SING C1 C16 no N 3 . 5319 RTL 4 . SING C1 C17 no N 4 . 5319 RTL 5 . SING C2 C3 no N 5 . 5319 RTL 6 . SING C2 H21 no N 6 . 5319 RTL 7 . SING C2 H22 no N 7 . 5319 RTL 8 . SING C3 C4 no N 8 . 5319 RTL 9 . SING C3 H31 no N 9 . 5319 RTL 10 . SING C3 H32 no N 10 . 5319 RTL 11 . SING C4 C5 no N 11 . 5319 RTL 12 . SING C4 H41 no N 12 . 5319 RTL 13 . SING C4 H42 no N 13 . 5319 RTL 14 . DOUB C5 C6 no N 14 . 5319 RTL 15 . SING C5 C18 no N 15 . 5319 RTL 16 . SING C6 C7 no N 16 . 5319 RTL 17 . DOUB C7 C8 no E 17 . 5319 RTL 18 . SING C7 H7 no N 18 . 5319 RTL 19 . SING C8 C9 no N 19 . 5319 RTL 20 . SING C8 H8 no N 20 . 5319 RTL 21 . DOUB C9 C10 no E 21 . 5319 RTL 22 . SING C9 C19 no N 22 . 5319 RTL 23 . SING C10 C11 no N 23 . 5319 RTL 24 . SING C10 H10 no N 24 . 5319 RTL 25 . DOUB C11 C12 no E 25 . 5319 RTL 26 . SING C11 H11 no N 26 . 5319 RTL 27 . SING C12 C13 no N 27 . 5319 RTL 28 . SING C12 H12 no N 28 . 5319 RTL 29 . DOUB C13 C14 no E 29 . 5319 RTL 30 . SING C13 C20 no N 30 . 5319 RTL 31 . SING C14 C15 no N 31 . 5319 RTL 32 . SING C14 H14 no N 32 . 5319 RTL 33 . SING C15 O1 no N 33 . 5319 RTL 34 . SING C15 H151 no N 34 . 5319 RTL 35 . SING C15 H152 no N 35 . 5319 RTL 36 . SING O1 HO1 no N 36 . 5319 RTL 37 . SING C16 H161 no N 37 . 5319 RTL 38 . SING C16 H162 no N 38 . 5319 RTL 39 . SING C16 H163 no N 39 . 5319 RTL 40 . SING C17 H171 no N 40 . 5319 RTL 41 . SING C17 H172 no N 41 . 5319 RTL 42 . SING C17 H173 no N 42 . 5319 RTL 43 . SING C18 H181 no N 43 . 5319 RTL 44 . SING C18 H182 no N 44 . 5319 RTL 45 . SING C18 H183 no N 45 . 5319 RTL 46 . SING C19 H191 no N 46 . 5319 RTL 47 . SING C19 H192 no N 47 . 5319 RTL 48 . SING C19 H193 no N 48 . 5319 RTL 49 . SING C20 H201 no N 49 . 5319 RTL 50 . SING C20 H202 no N 50 . 5319 RTL 51 . SING C20 H203 no N 51 . 5319 RTL stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5319 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'cellular retinol-binding protein type I' . . . 1 $CRBP-I . . 1.6 . . mM . . . . 5319 1 2 RETINOL . . . 2 $RTL . . 1.6 . . mM . . . . 5319 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5319 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'cellular retinol-binding protein type I' [U-15N] . . 1 $CRBP-I . . 1.6 . . mM . . . . 5319 2 2 RETINOL . . . 2 $RTL . . 1.6 . . mM . . . . 5319 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5319 _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 pH 6.0 0.1 n/a 5319 1 temperature 298 0.1 K 5319 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5319 _Software.ID 1 _Software.Name XWINNMR _Software.Version 1.3 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data acquisition' 5319 1 processing 5319 1 stop_ save_ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 5319 _Software.ID 2 _Software.Name AURELIA _Software.Version 2.5.9 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5319 2 stop_ save_ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5319 _Software.ID 3 _Software.Name FELIX _Software.Version 97 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5319 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5319 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5319 _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 NMR_spectrometer Bruker DMX . 600 . . . 5319 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 5319 _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 '1H-1H TOCSY' . . . . . . . . . . . . . . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5319 1 2 '1H-1H NOESY' . . . . . . . . . . . . . . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5319 1 3 '1H-15N HSQC' . . . . . . . . . . . . . . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5319 1 4 '1H-15N HTQC' . . . . . . . . . . . . . . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5319 1 5 '1H-15N TOCSY-HSQC' . . . . . . . . . . . . . . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5319 1 6 '1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5319 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5319 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-1H TOCSY' _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 $NMR_spectrometer _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5319 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-1H NOESY' _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 $NMR_spectrometer _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5319 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-15N HSQC' _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 $NMR_spectrometer _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5319 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-15N HTQC' _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 $NMR_spectrometer _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5319 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '1H-15N TOCSY-HSQC' _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 $NMR_spectrometer _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5319 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '1H-15N NOESY-HSQC' _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 $NMR_spectrometer _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 . _NMR_spec_expt.Software_label . _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 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5319 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5319 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5319 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_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_1 _Assigned_chem_shift_list.Entry_ID 5319 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 'Multiple spin-systems have been observed for several residues.' _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 $sample_1 . 5319 1 . . 2 $sample_2 . 5319 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.30 0.01 . 1 . . . . 0 . . . 5319 1 2 . 1 1 1 1 MET HB2 H 1 2.08 0.01 . 2 . . . . 0 . . . 5319 1 3 . 1 1 1 1 MET HB3 H 1 2.02 0.01 . 2 . . . . 0 . . . 5319 1 4 . 1 1 1 1 MET HG2 H 1 2.56 0.01 . 1 . . . . 0 . . . 5319 1 5 . 1 1 1 1 MET HG3 H 1 2.56 0.01 . 1 . . . . 0 . . . 5319 1 6 . 1 1 2 2 PRO HA H 1 3.97 0.01 . 1 . . . . 1 . . . 5319 1 7 . 1 1 2 2 PRO HB2 H 1 1.51 0.01 . 1 . . . . 1 . . . 5319 1 8 . 1 1 2 2 PRO HB3 H 1 1.90 0.01 . 1 . . . . 1 . . . 5319 1 9 . 1 1 2 2 PRO HG2 H 1 1.61 0.01 . 1 . . . . 1 . . . 5319 1 10 . 1 1 2 2 PRO HG3 H 1 1.61 0.01 . 1 . . . . 1 . . . 5319 1 11 . 1 1 2 2 PRO HD2 H 1 3.16 0.01 . 1 . . . . 1 . . . 5319 1 12 . 1 1 2 2 PRO HD3 H 1 3.51 0.01 . 1 . . . . 1 . . . 5319 1 13 . 1 1 3 3 VAL H H 1 7.07 0.01 . 1 . . . . 2 . . . 5319 1 14 . 1 1 3 3 VAL HA H 1 3.89 0.01 . 1 . . . . 2 . . . 5319 1 15 . 1 1 3 3 VAL HB H 1 1.90 0.01 . 1 . . . . 2 . . . 5319 1 16 . 1 1 3 3 VAL HG11 H 1 0.58 0.01 . 1 . . . . 2 . . . 5319 1 17 . 1 1 3 3 VAL HG12 H 1 0.58 0.01 . 1 . . . . 2 . . . 5319 1 18 . 1 1 3 3 VAL HG13 H 1 0.58 0.01 . 1 . . . . 2 . . . 5319 1 19 . 1 1 3 3 VAL HG21 H 1 0.92 0.01 . 1 . . . . 2 . . . 5319 1 20 . 1 1 3 3 VAL HG22 H 1 0.92 0.01 . 1 . . . . 2 . . . 5319 1 21 . 1 1 3 3 VAL HG23 H 1 0.92 0.01 . 1 . . . . 2 . . . 5319 1 22 . 1 1 3 3 VAL N N 15 119.3 0.1 . 1 . . . . 2 . . . 5319 1 23 . 1 1 4 4 ASP H H 1 8.11 0.01 . 1 . . . . 3 . . . 5319 1 24 . 1 1 4 4 ASP HA H 1 4.87 0.01 . 1 . . . . 3 . . . 5319 1 25 . 1 1 4 4 ASP HB2 H 1 2.46 0.01 . 1 . . . . 3 . . . 5319 1 26 . 1 1 4 4 ASP HB3 H 1 2.94 0.01 . 1 . . . . 3 . . . 5319 1 27 . 1 1 4 4 ASP N N 15 124.2 0.1 . 1 . . . . 3 . . . 5319 1 28 . 1 1 5 5 PHE H H 1 9.84 0.01 . 1 . . . . 4 . . . 5319 1 29 . 1 1 5 5 PHE HA H 1 4.65 0.01 . 1 . . . . 4 . . . 5319 1 30 . 1 1 5 5 PHE HB2 H 1 3.01 0.01 . 1 . . . . 4 . . . 5319 1 31 . 1 1 5 5 PHE HB3 H 1 3.40 0.01 . 1 . . . . 4 . . . 5319 1 32 . 1 1 5 5 PHE HD1 H 1 7.19 0.01 . 1 . . . . 4 . . . 5319 1 33 . 1 1 5 5 PHE HD2 H 1 7.19 0.01 . 1 . . . . 4 . . . 5319 1 34 . 1 1 5 5 PHE HE1 H 1 7.31 0.01 . 1 . . . . 4 . . . 5319 1 35 . 1 1 5 5 PHE HE2 H 1 7.31 0.01 . 1 . . . . 4 . . . 5319 1 36 . 1 1 5 5 PHE HZ H 1 7.47 0.01 . 1 . . . . 4 . . . 5319 1 37 . 1 1 5 5 PHE N N 15 123.9 0.1 . 1 . . . . 4 . . . 5319 1 38 . 1 1 6 6 ASN H H 1 8.52 0.01 . 1 . . . . 5 . . . 5319 1 39 . 1 1 6 6 ASN HA H 1 4.38 0.01 . 1 . . . . 5 . . . 5319 1 40 . 1 1 6 6 ASN HB2 H 1 3.16 0.01 . 1 . . . . 5 . . . 5319 1 41 . 1 1 6 6 ASN HB3 H 1 2.53 0.01 . 1 . . . . 5 . . . 5319 1 42 . 1 1 6 6 ASN HD21 H 1 9.60 0.01 . 1 . . . . 5 . . . 5319 1 43 . 1 1 6 6 ASN HD22 H 1 7.82 0.01 . 1 . . . . 5 . . . 5319 1 44 . 1 1 6 6 ASN N N 15 116.7 0.1 . 1 . . . . 5 . . . 5319 1 45 . 1 1 6 6 ASN ND2 N 15 122.0 0.1 . 1 . . . . 5 . . . 5319 1 46 . 1 1 7 7 GLY H H 1 8.62 0.01 . 1 . . . . 6 . . . 5319 1 47 . 1 1 7 7 GLY HA2 H 1 3.84 0.01 . 1 . . . . 6 . . . 5319 1 48 . 1 1 7 7 GLY HA3 H 1 4.23 0.01 . 1 . . . . 6 . . . 5319 1 49 . 1 1 7 7 GLY N N 15 107.4 0.1 . 1 . . . . 6 . . . 5319 1 50 . 1 1 8 8 TYR H H 1 8.45 0.01 . 1 . . . . 7 . . . 5319 1 51 . 1 1 8 8 TYR HA H 1 4.98 0.01 . 1 . . . . 7 . . . 5319 1 52 . 1 1 8 8 TYR HB2 H 1 2.72 0.01 . 1 . . . . 7 . . . 5319 1 53 . 1 1 8 8 TYR HB3 H 1 2.75 0.01 . 1 . . . . 7 . . . 5319 1 54 . 1 1 8 8 TYR HD1 H 1 6.95 0.01 . 1 . . . . 7 . . . 5319 1 55 . 1 1 8 8 TYR HD2 H 1 6.95 0.01 . 1 . . . . 7 . . . 5319 1 56 . 1 1 8 8 TYR HE1 H 1 6.62 0.01 . 1 . . . . 7 . . . 5319 1 57 . 1 1 8 8 TYR HE2 H 1 6.62 0.01 . 1 . . . . 7 . . . 5319 1 58 . 1 1 8 8 TYR N N 15 122.9 0.1 . 1 . . . . 7 . . . 5319 1 59 . 1 1 9 9 TRP H H 1 9.23 0.01 . 1 . . . . 8 . . . 5319 1 60 . 1 1 9 9 TRP HA H 1 5.09 0.01 . 1 . . . . 8 . . . 5319 1 61 . 1 1 9 9 TRP HB2 H 1 2.66 0.01 . 1 . . . . 8 . . . 5319 1 62 . 1 1 9 9 TRP HB3 H 1 2.94 0.01 . 1 . . . . 8 . . . 5319 1 63 . 1 1 9 9 TRP HD1 H 1 6.77 0.01 . 1 . . . . 8 . . . 5319 1 64 . 1 1 9 9 TRP HE1 H 1 9.13 0.01 . 1 . . . . 8 . . . 5319 1 65 . 1 1 9 9 TRP HE3 H 1 6.86 0.01 . 1 . . . . 8 . . . 5319 1 66 . 1 1 9 9 TRP HZ2 H 1 7.32 0.01 . 1 . . . . 8 . . . 5319 1 67 . 1 1 9 9 TRP HZ3 H 1 7.13 0.01 . 1 . . . . 8 . . . 5319 1 68 . 1 1 9 9 TRP HH2 H 1 7.28 0.01 . 1 . . . . 8 . . . 5319 1 69 . 1 1 9 9 TRP N N 15 129.2 0.1 . 1 . . . . 8 . . . 5319 1 70 . 1 1 9 9 TRP NE1 N 15 126.7 0.1 . 1 . . . . 8 . . . 5319 1 71 . 1 1 10 10 LYS H H 1 9.23 0.01 . 1 . . . . 9 . . . 5319 1 72 . 1 1 10 10 LYS HA H 1 5.19 0.01 . 1 . . . . 9 . . . 5319 1 73 . 1 1 10 10 LYS HB2 H 1 1.82 0.01 . 1 . . . . 9 . . . 5319 1 74 . 1 1 10 10 LYS HB3 H 1 1.91 0.01 . 1 . . . . 9 . . . 5319 1 75 . 1 1 10 10 LYS HG2 H 1 1.58 0.01 . 1 . . . . 9 . . . 5319 1 76 . 1 1 10 10 LYS HG3 H 1 1.65 0.01 . 1 . . . . 9 . . . 5319 1 77 . 1 1 10 10 LYS HD2 H 1 1.84 0.01 . 1 . . . . 9 . . . 5319 1 78 . 1 1 10 10 LYS HD3 H 1 1.78 0.01 . 1 . . . . 9 . . . 5319 1 79 . 1 1 10 10 LYS HE2 H 1 3.08 0.01 . 1 . . . . 9 . . . 5319 1 80 . 1 1 10 10 LYS HE3 H 1 3.08 0.01 . 1 . . . . 9 . . . 5319 1 81 . 1 1 10 10 LYS N N 15 125.2 0.1 . 1 . . . . 9 . . . 5319 1 82 . 1 1 11 11 MET H H 1 8.59 0.01 . 1 . . . . 10 . . . 5319 1 83 . 1 1 11 11 MET HA H 1 3.53 0.01 . 1 . . . . 10 . . . 5319 1 84 . 1 1 11 11 MET HB2 H 1 2.63 0.01 . 1 . . . . 10 . . . 5319 1 85 . 1 1 11 11 MET HB3 H 1 1.56 0.01 . 1 . . . . 10 . . . 5319 1 86 . 1 1 11 11 MET HG2 H 1 1.99 0.01 . 1 . . . . 10 . . . 5319 1 87 . 1 1 11 11 MET HG3 H 1 1.56 0.01 . 1 . . . . 10 . . . 5319 1 88 . 1 1 11 11 MET HE1 H 1 1.63 0.01 . 1 . . . . 10 . . . 5319 1 89 . 1 1 11 11 MET HE2 H 1 1.63 0.01 . 1 . . . . 10 . . . 5319 1 90 . 1 1 11 11 MET HE3 H 1 1.63 0.01 . 1 . . . . 10 . . . 5319 1 91 . 1 1 11 11 MET N N 15 126.2 0.1 . 1 . . . . 10 . . . 5319 1 92 . 1 1 12 12 LEU H H 1 9.57 0.01 . 1 . . . . 11 . . . 5319 1 93 . 1 1 12 12 LEU HA H 1 4.50 0.01 . 1 . . . . 11 . . . 5319 1 94 . 1 1 12 12 LEU HB2 H 1 1.32 0.01 . 1 . . . . 11 . . . 5319 1 95 . 1 1 12 12 LEU HB3 H 1 1.38 0.01 . 1 . . . . 11 . . . 5319 1 96 . 1 1 12 12 LEU HG H 1 1.51 0.01 . 1 . . . . 11 . . . 5319 1 97 . 1 1 12 12 LEU HD11 H 1 0.86 0.01 . 1 . . . . 11 . . . 5319 1 98 . 1 1 12 12 LEU HD12 H 1 0.86 0.01 . 1 . . . . 11 . . . 5319 1 99 . 1 1 12 12 LEU HD13 H 1 0.86 0.01 . 1 . . . . 11 . . . 5319 1 100 . 1 1 12 12 LEU HD21 H 1 0.82 0.01 . 1 . . . . 11 . . . 5319 1 101 . 1 1 12 12 LEU HD22 H 1 0.82 0.01 . 1 . . . . 11 . . . 5319 1 102 . 1 1 12 12 LEU HD23 H 1 0.82 0.01 . 1 . . . . 11 . . . 5319 1 103 . 1 1 12 12 LEU N N 15 127.6 0.1 . 1 . . . . 11 . . . 5319 1 104 . 1 1 13 13 SER H H 1 7.68 0.01 . 1 . . . . 12 . . . 5319 1 105 . 1 1 13 13 SER HA H 1 4.52 0.01 . 1 . . . . 12 . . . 5319 1 106 . 1 1 13 13 SER HB2 H 1 3.52 0.01 . 1 . . . . 12 . . . 5319 1 107 . 1 1 13 13 SER HB3 H 1 3.75 0.01 . 1 . . . . 12 . . . 5319 1 108 . 1 1 13 13 SER N N 15 112.0 0.1 . 1 . . . . 12 . . . 5319 1 109 . 1 1 14 14 ASN H H 1 8.42 0.01 . 1 . . . . 13 . . . 5319 1 110 . 1 1 14 14 ASN HA H 1 4.94 0.01 . 1 . . . . 13 . . . 5319 1 111 . 1 1 14 14 ASN HB2 H 1 2.86 0.01 . 1 . . . . 13 . . . 5319 1 112 . 1 1 14 14 ASN HB3 H 1 3.01 0.01 . 1 . . . . 13 . . . 5319 1 113 . 1 1 14 14 ASN HD21 H 1 7.33 0.01 . 1 . . . . 13 . . . 5319 1 114 . 1 1 14 14 ASN HD22 H 1 4.36 0.01 . 1 . . . . 13 . . . 5319 1 115 . 1 1 14 14 ASN N N 15 120.0 0.1 . 1 . . . . 13 . . . 5319 1 116 . 1 1 14 14 ASN ND2 N 15 105.6 0.1 . 1 . . . . 13 . . . 5319 1 117 . 1 1 15 15 GLU H H 1 9.03 0.01 . 1 . . . . 14 . . . 5319 1 118 . 1 1 15 15 GLU HA H 1 4.74 0.01 . 1 . . . . 14 . . . 5319 1 119 . 1 1 15 15 GLU HB2 H 1 2.01 0.01 . 1 . . . . 14 . . . 5319 1 120 . 1 1 15 15 GLU HB3 H 1 2.16 0.01 . 1 . . . . 14 . . . 5319 1 121 . 1 1 15 15 GLU HG2 H 1 2.32 0.01 . 1 . . . . 14 . . . 5319 1 122 . 1 1 15 15 GLU HG3 H 1 2.24 0.01 . 1 . . . . 14 . . . 5319 1 123 . 1 1 15 15 GLU N N 15 126.5 0.1 . 1 . . . . 14 . . . 5319 1 124 . 1 1 16 16 ASN H H 1 9.57 0.01 . 1 . . . . 15 . . . 5319 1 125 . 1 1 16 16 ASN HA H 1 4.83 0.01 . 1 . . . . 15 . . . 5319 1 126 . 1 1 16 16 ASN HB2 H 1 2.90 0.01 . 1 . . . . 15 . . . 5319 1 127 . 1 1 16 16 ASN HB3 H 1 3.78 0.01 . 1 . . . . 15 . . . 5319 1 128 . 1 1 16 16 ASN HD21 H 1 7.61 0.01 . 1 . . . . 15 . . . 5319 1 129 . 1 1 16 16 ASN HD22 H 1 7.11 0.01 . 1 . . . . 15 . . . 5319 1 130 . 1 1 16 16 ASN N N 15 123.3 0.1 . 1 . . . . 15 . . . 5319 1 131 . 1 1 16 16 ASN ND2 N 15 111.4 0.1 . 1 . . . . 15 . . . 5319 1 132 . 1 1 17 17 PHE H H 1 8.41 0.01 . 1 . . . . 16 . . . 5319 1 133 . 1 1 17 17 PHE HA H 1 4.87 0.01 . 1 . . . . 16 . . . 5319 1 134 . 1 1 17 17 PHE HB2 H 1 3.47 0.01 . 1 . . . . 16 . . . 5319 1 135 . 1 1 17 17 PHE HB3 H 1 3.14 0.01 . 1 . . . . 16 . . . 5319 1 136 . 1 1 17 17 PHE HD1 H 1 7.54 0.01 . 1 . . . . 16 . . . 5319 1 137 . 1 1 17 17 PHE HD2 H 1 7.54 0.01 . 1 . . . . 16 . . . 5319 1 138 . 1 1 17 17 PHE HE1 H 1 7.14 0.01 . 1 . . . . 16 . . . 5319 1 139 . 1 1 17 17 PHE HE2 H 1 7.14 0.01 . 1 . . . . 16 . . . 5319 1 140 . 1 1 17 17 PHE HZ H 1 6.96 0.01 . 1 . . . . 16 . . . 5319 1 141 . 1 1 17 17 PHE N N 15 119.9 0.1 . 1 . . . . 16 . . . 5319 1 142 . 1 1 18 18 GLU H H 1 8.65 0.01 . 1 . . . . 17 . . . 5319 1 143 . 1 1 18 18 GLU HA H 1 3.69 0.01 . 1 . . . . 17 . . . 5319 1 144 . 1 1 18 18 GLU HB2 H 1 2.10 0.01 . 1 . . . . 17 . . . 5319 1 145 . 1 1 18 18 GLU HB3 H 1 1.91 0.01 . 1 . . . . 17 . . . 5319 1 146 . 1 1 18 18 GLU HG2 H 1 2.23 0.01 . 1 . . . . 17 . . . 5319 1 147 . 1 1 18 18 GLU HG3 H 1 2.23 0.01 . 1 . . . . 17 . . . 5319 1 148 . 1 1 18 18 GLU N N 15 118.5 0.1 . 1 . . . . 17 . . . 5319 1 149 . 1 1 19 19 GLU H H 1 8.35 0.01 . 1 . . . . 18 . . . 5319 1 150 . 1 1 19 19 GLU HA H 1 3.89 0.01 . 1 . . . . 18 . . . 5319 1 151 . 1 1 19 19 GLU HB2 H 1 1.95 0.01 . 1 . . . . 18 . . . 5319 1 152 . 1 1 19 19 GLU HB3 H 1 1.95 0.01 . 1 . . . . 18 . . . 5319 1 153 . 1 1 19 19 GLU HG2 H 1 2.44 0.01 . 1 . . . . 18 . . . 5319 1 154 . 1 1 19 19 GLU HG3 H 1 2.35 0.01 . 1 . . . . 18 . . . 5319 1 155 . 1 1 19 19 GLU N N 15 118.2 0.1 . 1 . . . . 18 . . . 5319 1 156 . 1 1 20 20 TYR H H 1 7.64 0.01 . 1 . . . . 19 . . . 5319 1 157 . 1 1 20 20 TYR HA H 1 3.98 0.01 . 1 . . . . 19 . . . 5319 1 158 . 1 1 20 20 TYR HB2 H 1 2.93 0.01 . 1 . . . . 19 . . . 5319 1 159 . 1 1 20 20 TYR HB3 H 1 3.28 0.01 . 1 . . . . 19 . . . 5319 1 160 . 1 1 20 20 TYR HD1 H 1 6.84 0.01 . 1 . . . . 19 . . . 5319 1 161 . 1 1 20 20 TYR HD2 H 1 6.84 0.01 . 1 . . . . 19 . . . 5319 1 162 . 1 1 20 20 TYR HE1 H 1 6.58 0.01 . 1 . . . . 19 . . . 5319 1 163 . 1 1 20 20 TYR HE2 H 1 6.58 0.01 . 1 . . . . 19 . . . 5319 1 164 . 1 1 20 20 TYR N N 15 123.1 0.1 . 1 . . . . 19 . . . 5319 1 165 . 1 1 21 21 LEU H H 1 8.10 0.01 . 1 . . . . 20 . . . 5319 1 166 . 1 1 21 21 LEU HA H 1 3.48 0.01 . 1 . . . . 20 . . . 5319 1 167 . 1 1 21 21 LEU HB2 H 1 1.67 0.01 . 1 . . . . 20 . . . 5319 1 168 . 1 1 21 21 LEU HB3 H 1 0.68 0.01 . 1 . . . . 20 . . . 5319 1 169 . 1 1 21 21 LEU HG H 1 1.35 0.01 . 1 . . . . 20 . . . 5319 1 170 . 1 1 21 21 LEU HD11 H 1 0.07 0.01 . 1 . . . . 20 . . . 5319 1 171 . 1 1 21 21 LEU HD12 H 1 0.07 0.01 . 1 . . . . 20 . . . 5319 1 172 . 1 1 21 21 LEU HD13 H 1 0.07 0.01 . 1 . . . . 20 . . . 5319 1 173 . 1 1 21 21 LEU HD21 H 1 0.50 0.01 . 1 . . . . 20 . . . 5319 1 174 . 1 1 21 21 LEU HD22 H 1 0.50 0.01 . 1 . . . . 20 . . . 5319 1 175 . 1 1 21 21 LEU HD23 H 1 0.50 0.01 . 1 . . . . 20 . . . 5319 1 176 . 1 1 21 21 LEU N N 15 116.5 0.1 . 1 . . . . 20 . . . 5319 1 177 . 1 1 22 22 ARG H H 1 8.67 0.01 . 1 . . . . 21 . . . 5319 1 178 . 1 1 22 22 ARG HA H 1 3.80 0.01 . 1 . . . . 21 . . . 5319 1 179 . 1 1 22 22 ARG HB2 H 1 2.03 0.01 . 1 . . . . 21 . . . 5319 1 180 . 1 1 22 22 ARG HB3 H 1 1.61 0.01 . 1 . . . . 21 . . . 5319 1 181 . 1 1 22 22 ARG HG2 H 1 1.51 0.01 . 1 . . . . 21 . . . 5319 1 182 . 1 1 22 22 ARG HG3 H 1 1.51 0.01 . 1 . . . . 21 . . . 5319 1 183 . 1 1 22 22 ARG HD2 H 1 3.22 0.01 . 1 . . . . 21 . . . 5319 1 184 . 1 1 22 22 ARG HD3 H 1 3.10 0.01 . 1 . . . . 21 . . . 5319 1 185 . 1 1 22 22 ARG HE H 1 7.68 0.01 . 1 . . . . 21 . . . 5319 1 186 . 1 1 22 22 ARG N N 15 121.5 0.1 . 1 . . . . 21 . . . 5319 1 187 . 1 1 22 22 ARG NE N 15 84.2 0.1 . 1 . . . . 21 . . . 5319 1 188 . 1 1 23 23 ALA H H 1 7.92 0.01 . 1 . . . . 22 . . . 5319 1 189 . 1 1 23 23 ALA HA H 1 4.06 0.01 . 1 . . . . 22 . . . 5319 1 190 . 1 1 23 23 ALA HB1 H 1 1.40 0.01 . 1 . . . . 22 . . . 5319 1 191 . 1 1 23 23 ALA HB2 H 1 1.40 0.01 . 1 . . . . 22 . . . 5319 1 192 . 1 1 23 23 ALA HB3 H 1 1.40 0.01 . 1 . . . . 22 . . . 5319 1 193 . 1 1 23 23 ALA N N 15 125.4 0.1 . 1 . . . . 22 . . . 5319 1 194 . 1 1 24 24 LEU H H 1 6.71 0.01 . 1 . . . . 23 . . . 5319 1 195 . 1 1 24 24 LEU HA H 1 3.92 0.01 . 1 . . . . 23 . . . 5319 1 196 . 1 1 24 24 LEU HB2 H 1 1.40 0.01 . 1 . . . . 23 . . . 5319 1 197 . 1 1 24 24 LEU HB3 H 1 1.56 0.01 . 1 . . . . 23 . . . 5319 1 198 . 1 1 24 24 LEU HG H 1 1.10 0.01 . 1 . . . . 23 . . . 5319 1 199 . 1 1 24 24 LEU HD11 H 1 0.25 0.01 . 1 . . . . 23 . . . 5319 1 200 . 1 1 24 24 LEU HD12 H 1 0.25 0.01 . 1 . . . . 23 . . . 5319 1 201 . 1 1 24 24 LEU HD13 H 1 0.25 0.01 . 1 . . . . 23 . . . 5319 1 202 . 1 1 24 24 LEU HD21 H 1 0.33 0.01 . 1 . . . . 23 . . . 5319 1 203 . 1 1 24 24 LEU HD22 H 1 0.33 0.01 . 1 . . . . 23 . . . 5319 1 204 . 1 1 24 24 LEU HD23 H 1 0.33 0.01 . 1 . . . . 23 . . . 5319 1 205 . 1 1 24 24 LEU N N 15 113.6 0.1 . 1 . . . . 23 . . . 5319 1 206 . 1 1 25 25 ASP H H 1 8.08 0.01 . 1 . . . . 24 . . . 5319 1 207 . 1 1 25 25 ASP HA H 1 4.15 0.01 . 1 . . . . 24 . . . 5319 1 208 . 1 1 25 25 ASP HB2 H 1 2.99 0.01 . 1 . . . . 24 . . . 5319 1 209 . 1 1 25 25 ASP HB3 H 1 2.83 0.01 . 1 . . . . 24 . . . 5319 1 210 . 1 1 25 25 ASP N N 15 114.7 0.1 . 1 . . . . 24 . . . 5319 1 211 . 1 1 26 26 VAL H H 1 7.60 0.01 . 1 . . . . 25 . . . 5319 1 212 . 1 1 26 26 VAL HA H 1 3.71 0.01 . 1 . . . . 25 . . . 5319 1 213 . 1 1 26 26 VAL HB H 1 1.39 0.01 . 1 . . . . 25 . . . 5319 1 214 . 1 1 26 26 VAL HG11 H 1 0.92 0.01 . 1 . . . . 25 . . . 5319 1 215 . 1 1 26 26 VAL HG12 H 1 0.92 0.01 . 1 . . . . 25 . . . 5319 1 216 . 1 1 26 26 VAL HG13 H 1 0.92 0.01 . 1 . . . . 25 . . . 5319 1 217 . 1 1 26 26 VAL HG21 H 1 0.74 0.01 . 1 . . . . 25 . . . 5319 1 218 . 1 1 26 26 VAL HG22 H 1 0.74 0.01 . 1 . . . . 25 . . . 5319 1 219 . 1 1 26 26 VAL HG23 H 1 0.74 0.01 . 1 . . . . 25 . . . 5319 1 220 . 1 1 26 26 VAL N N 15 120.5 0.1 . 1 . . . . 25 . . . 5319 1 221 . 1 1 27 27 ASN H H 1 8.69 0.01 . 1 . . . . 26 . . . 5319 1 222 . 1 1 27 27 ASN HA H 1 4.36 0.01 . 1 . . . . 26 . . . 5319 1 223 . 1 1 27 27 ASN HB2 H 1 2.74 0.01 . 1 . . . . 26 . . . 5319 1 224 . 1 1 27 27 ASN HB3 H 1 3.01 0.01 . 1 . . . . 26 . . . 5319 1 225 . 1 1 27 27 ASN HD21 H 1 7.92 0.01 . 1 . . . . 26 . . . 5319 1 226 . 1 1 27 27 ASN HD22 H 1 6.98 0.01 . 1 . . . . 26 . . . 5319 1 227 . 1 1 27 27 ASN N N 15 127.0 0.1 . 1 . . . . 26 . . . 5319 1 228 . 1 1 27 27 ASN ND2 N 15 115.2 0.1 . 1 . . . . 26 . . . 5319 1 229 . 1 1 28 28 VAL H H 1 8.61 0.01 . 1 . . . . 27 . . . 5319 1 230 . 1 1 28 28 VAL HA H 1 3.48 0.01 . 1 . . . . 27 . . . 5319 1 231 . 1 1 28 28 VAL HB H 1 2.04 0.01 . 1 . . . . 27 . . . 5319 1 232 . 1 1 28 28 VAL HG11 H 1 1.02 0.01 . 1 . . . . 27 . . . 5319 1 233 . 1 1 28 28 VAL HG12 H 1 1.02 0.01 . 1 . . . . 27 . . . 5319 1 234 . 1 1 28 28 VAL HG13 H 1 1.02 0.01 . 1 . . . . 27 . . . 5319 1 235 . 1 1 28 28 VAL HG21 H 1 0.96 0.01 . 1 . . . . 27 . . . 5319 1 236 . 1 1 28 28 VAL HG22 H 1 0.96 0.01 . 1 . . . . 27 . . . 5319 1 237 . 1 1 28 28 VAL HG23 H 1 0.96 0.01 . 1 . . . . 27 . . . 5319 1 238 . 1 1 28 28 VAL N N 15 123.5 0.1 . 1 . . . . 27 . . . 5319 1 239 . 1 1 29 29 ALA H H 1 8.12 0.01 . 1 . . . . 28 . . . 5319 1 240 . 1 1 29 29 ALA HA H 1 4.06 0.01 . 1 . . . . 28 . . . 5319 1 241 . 1 1 29 29 ALA HB1 H 1 1.41 0.01 . 1 . . . . 28 . . . 5319 1 242 . 1 1 29 29 ALA HB2 H 1 1.41 0.01 . 1 . . . . 28 . . . 5319 1 243 . 1 1 29 29 ALA HB3 H 1 1.41 0.01 . 1 . . . . 28 . . . 5319 1 244 . 1 1 29 29 ALA N N 15 122.9 0.1 . 1 . . . . 28 . . . 5319 1 245 . 1 1 30 30 LEU H H 1 7.57 0.01 . 1 . . . . 29 . . . 5319 1 246 . 1 1 30 30 LEU HA H 1 4.19 0.01 . 1 . . . . 29 . . . 5319 1 247 . 1 1 30 30 LEU HB2 H 1 1.57 0.01 . 1 . . . . 29 . . . 5319 1 248 . 1 1 30 30 LEU HB3 H 1 1.76 0.01 . 1 . . . . 29 . . . 5319 1 249 . 1 1 30 30 LEU HG H 1 1.46 0.01 . 1 . . . . 29 . . . 5319 1 250 . 1 1 30 30 LEU HD11 H 1 1.05 0.01 . 1 . . . . 29 . . . 5319 1 251 . 1 1 30 30 LEU HD12 H 1 1.05 0.01 . 1 . . . . 29 . . . 5319 1 252 . 1 1 30 30 LEU HD13 H 1 1.05 0.01 . 1 . . . . 29 . . . 5319 1 253 . 1 1 30 30 LEU HD21 H 1 1.05 0.01 . 1 . . . . 29 . . . 5319 1 254 . 1 1 30 30 LEU HD22 H 1 1.05 0.01 . 1 . . . . 29 . . . 5319 1 255 . 1 1 30 30 LEU HD23 H 1 1.05 0.01 . 1 . . . . 29 . . . 5319 1 256 . 1 1 30 30 LEU N N 15 119.1 0.1 . 1 . . . . 29 . . . 5319 1 257 . 1 1 31 31 ARG H H 1 8.38 0.01 . 1 . . . . 30 . . . 5319 1 258 . 1 1 31 31 ARG HA H 1 3.60 0.01 . 1 . . . . 30 . . . 5319 1 259 . 1 1 31 31 ARG HB2 H 1 1.97 0.01 . 1 . . . . 30 . . . 5319 1 260 . 1 1 31 31 ARG HB3 H 1 1.97 0.01 . 1 . . . . 30 . . . 5319 1 261 . 1 1 31 31 ARG HG2 H 1 1.72 0.01 . 1 . . . . 30 . . . 5319 1 262 . 1 1 31 31 ARG HG3 H 1 1.72 0.01 . 1 . . . . 30 . . . 5319 1 263 . 1 1 31 31 ARG HD2 H 1 3.10 0.01 . 1 . . . . 30 . . . 5319 1 264 . 1 1 31 31 ARG HD3 H 1 2.90 0.01 . 1 . . . . 30 . . . 5319 1 265 . 1 1 31 31 ARG HE H 1 7.94 0.01 . 1 . . . . 30 . . . 5319 1 266 . 1 1 31 31 ARG N N 15 118.8 0.1 . 1 . . . . 30 . . . 5319 1 267 . 1 1 31 31 ARG NE N 15 82.1 0.1 . 1 . . . . 30 . . . 5319 1 268 . 1 1 32 32 LYS H H 1 7.82 0.01 . 1 . . . . 31 . . . 5319 1 269 . 1 1 32 32 LYS HA H 1 3.95 0.01 . 1 . . . . 31 . . . 5319 1 270 . 1 1 32 32 LYS HB2 H 1 1.81 0.01 . 1 . . . . 31 . . . 5319 1 271 . 1 1 32 32 LYS HB3 H 1 1.87 0.01 . 1 . . . . 31 . . . 5319 1 272 . 1 1 32 32 LYS HG2 H 1 1.45 0.01 . 1 . . . . 31 . . . 5319 1 273 . 1 1 32 32 LYS HG3 H 1 1.45 0.01 . 1 . . . . 31 . . . 5319 1 274 . 1 1 32 32 LYS HD2 H 1 1.62 0.01 . 1 . . . . 31 . . . 5319 1 275 . 1 1 32 32 LYS HD3 H 1 1.57 0.01 . 1 . . . . 31 . . . 5319 1 276 . 1 1 32 32 LYS HE2 H 1 2.92 0.01 . 1 . . . . 31 . . . 5319 1 277 . 1 1 32 32 LYS HE3 H 1 2.92 0.01 . 1 . . . . 31 . . . 5319 1 278 . 1 1 32 32 LYS N N 15 116.8 0.1 . 1 . . . . 31 . . . 5319 1 279 . 1 1 33 33 ILE H H 1 7.00 0.01 . 1 . . . . 32 . . . 5319 1 280 . 1 1 33 33 ILE HA H 1 3.61 0.01 . 1 . . . . 32 . . . 5319 1 281 . 1 1 33 33 ILE HB H 1 1.59 0.01 . 1 . . . . 32 . . . 5319 1 282 . 1 1 33 33 ILE HG12 H 1 1.50 0.01 . 1 . . . . 32 . . . 5319 1 283 . 1 1 33 33 ILE HG13 H 1 0.86 0.01 . 1 . . . . 32 . . . 5319 1 284 . 1 1 33 33 ILE HG21 H 1 0.08 0.01 . 1 . . . . 32 . . . 5319 1 285 . 1 1 33 33 ILE HG22 H 1 0.08 0.01 . 1 . . . . 32 . . . 5319 1 286 . 1 1 33 33 ILE HG23 H 1 0.08 0.01 . 1 . . . . 32 . . . 5319 1 287 . 1 1 33 33 ILE HD11 H 1 0.55 0.01 . 1 . . . . 32 . . . 5319 1 288 . 1 1 33 33 ILE HD12 H 1 0.55 0.01 . 1 . . . . 32 . . . 5319 1 289 . 1 1 33 33 ILE HD13 H 1 0.55 0.01 . 1 . . . . 32 . . . 5319 1 290 . 1 1 33 33 ILE N N 15 118.1 0.1 . 1 . . . . 32 . . . 5319 1 291 . 1 1 34 34 ALA H H 1 8.72 0.01 . 1 . . . . 33 . . . 5319 1 292 . 1 1 34 34 ALA HA H 1 3.90 0.01 . 1 . . . . 33 . . . 5319 1 293 . 1 1 34 34 ALA HB1 H 1 1.30 0.01 . 1 . . . . 33 . . . 5319 1 294 . 1 1 34 34 ALA HB2 H 1 1.30 0.01 . 1 . . . . 33 . . . 5319 1 295 . 1 1 34 34 ALA HB3 H 1 1.30 0.01 . 1 . . . . 33 . . . 5319 1 296 . 1 1 34 34 ALA N N 15 121.0 0.1 . 1 . . . . 33 . . . 5319 1 297 . 1 1 35 35 ASN H H 1 8.05 0.01 . 1 . . . . 34 . . . 5319 1 298 . 1 1 35 35 ASN HA H 1 4.69 0.01 . 1 . . . . 34 . . . 5319 1 299 . 1 1 35 35 ASN HB2 H 1 2.78 0.01 . 1 . . . . 34 . . . 5319 1 300 . 1 1 35 35 ASN HB3 H 1 2.78 0.01 . 1 . . . . 34 . . . 5319 1 301 . 1 1 35 35 ASN HD21 H 1 7.43 0.01 . 1 . . . . 34 . . . 5319 1 302 . 1 1 35 35 ASN HD22 H 1 6.97 0.01 . 1 . . . . 34 . . . 5319 1 303 . 1 1 35 35 ASN N N 15 113.4 0.1 . 1 . . . . 34 . . . 5319 1 304 . 1 1 35 35 ASN ND2 N 15 112.8 0.1 . 1 . . . . 34 . . . 5319 1 305 . 1 1 36 36 LEU H H 1 7.36 0.01 . 1 . . . . 35 . . . 5319 1 306 . 1 1 36 36 LEU HA H 1 4.43 0.01 . 1 . . . . 35 . . . 5319 1 307 . 1 1 36 36 LEU HB2 H 1 1.82 0.01 . 1 . . . . 35 . . . 5319 1 308 . 1 1 36 36 LEU HB3 H 1 1.68 0.01 . 1 . . . . 35 . . . 5319 1 309 . 1 1 36 36 LEU HG H 1 1.77 0.01 . 1 . . . . 35 . . . 5319 1 310 . 1 1 36 36 LEU HD11 H 1 0.92 0.01 . 1 . . . . 35 . . . 5319 1 311 . 1 1 36 36 LEU HD12 H 1 0.92 0.01 . 1 . . . . 35 . . . 5319 1 312 . 1 1 36 36 LEU HD13 H 1 0.92 0.01 . 1 . . . . 35 . . . 5319 1 313 . 1 1 36 36 LEU HD21 H 1 0.88 0.01 . 1 . . . . 35 . . . 5319 1 314 . 1 1 36 36 LEU HD22 H 1 0.88 0.01 . 1 . . . . 35 . . . 5319 1 315 . 1 1 36 36 LEU HD23 H 1 0.88 0.01 . 1 . . . . 35 . . . 5319 1 316 . 1 1 36 36 LEU N N 15 116.6 0.1 . 1 . . . . 35 . . . 5319 1 317 . 1 1 37 37 LEU H H 1 7.28 0.01 . 1 . . . . 36 . . . 5319 1 318 . 1 1 37 37 LEU HA H 1 4.35 0.01 . 1 . . . . 36 . . . 5319 1 319 . 1 1 37 37 LEU HB2 H 1 1.97 0.01 . 1 . . . . 36 . . . 5319 1 320 . 1 1 37 37 LEU HB3 H 1 1.37 0.01 . 1 . . . . 36 . . . 5319 1 321 . 1 1 37 37 LEU HG H 1 2.10 0.01 . 1 . . . . 36 . . . 5319 1 322 . 1 1 37 37 LEU HD11 H 1 0.87 0.01 . 1 . . . . 36 . . . 5319 1 323 . 1 1 37 37 LEU HD12 H 1 0.87 0.01 . 1 . . . . 36 . . . 5319 1 324 . 1 1 37 37 LEU HD13 H 1 0.87 0.01 . 1 . . . . 36 . . . 5319 1 325 . 1 1 37 37 LEU HD21 H 1 0.87 0.01 . 1 . . . . 36 . . . 5319 1 326 . 1 1 37 37 LEU HD22 H 1 0.87 0.01 . 1 . . . . 36 . . . 5319 1 327 . 1 1 37 37 LEU HD23 H 1 0.87 0.01 . 1 . . . . 36 . . . 5319 1 328 . 1 1 37 37 LEU N N 15 118.8 0.1 . 1 . . . . 36 . . . 5319 1 329 . 1 1 38 38 LYS H H 1 8.44 0.01 . 1 . . . . 37 . . . 5319 1 330 . 1 1 38 38 LYS HA H 1 4.94 0.01 . 1 . . . . 37 . . . 5319 1 331 . 1 1 38 38 LYS HB2 H 1 1.85 0.01 . 1 . . . . 37 . . . 5319 1 332 . 1 1 38 38 LYS HB3 H 1 1.85 0.01 . 1 . . . . 37 . . . 5319 1 333 . 1 1 38 38 LYS HG2 H 1 1.43 0.01 . 1 . . . . 37 . . . 5319 1 334 . 1 1 38 38 LYS HG3 H 1 1.24 0.01 . 1 . . . . 37 . . . 5319 1 335 . 1 1 38 38 LYS HD2 H 1 1.56 0.01 . 1 . . . . 37 . . . 5319 1 336 . 1 1 38 38 LYS HD3 H 1 1.56 0.01 . 1 . . . . 37 . . . 5319 1 337 . 1 1 38 38 LYS HE2 H 1 2.93 0.01 . 1 . . . . 37 . . . 5319 1 338 . 1 1 38 38 LYS HE3 H 1 2.93 0.01 . 1 . . . . 37 . . . 5319 1 339 . 1 1 38 38 LYS N N 15 120.0 0.1 . 1 . . . . 37 . . . 5319 1 340 . 1 1 39 39 PRO HA H 1 4.84 0.01 . 1 . . . . 38 . . . 5319 1 341 . 1 1 39 39 PRO HB2 H 1 1.91 0.01 . 1 . . . . 38 . . . 5319 1 342 . 1 1 39 39 PRO HB3 H 1 1.59 0.01 . 1 . . . . 38 . . . 5319 1 343 . 1 1 39 39 PRO HG2 H 1 1.39 0.01 . 1 . . . . 38 . . . 5319 1 344 . 1 1 39 39 PRO HG3 H 1 1.22 0.01 . 1 . . . . 38 . . . 5319 1 345 . 1 1 39 39 PRO HD2 H 1 2.44 0.01 . 1 . . . . 38 . . . 5319 1 346 . 1 1 39 39 PRO HD3 H 1 2.33 0.01 . 1 . . . . 38 . . . 5319 1 347 . 1 1 40 40 ASP H H 1 8.32 0.01 . 1 . . . . 39 . . . 5319 1 348 . 1 1 40 40 ASP HA H 1 5.45 0.01 . 1 . . . . 39 . . . 5319 1 349 . 1 1 40 40 ASP HB2 H 1 2.42 0.01 . 1 . . . . 39 . . . 5319 1 350 . 1 1 40 40 ASP HB3 H 1 2.69 0.01 . 1 . . . . 39 . . . 5319 1 351 . 1 1 40 40 ASP N N 15 116.8 0.1 . 1 . . . . 39 . . . 5319 1 352 . 1 1 41 41 LYS H H 1 8.58 0.01 . 1 . . . . 40 . . . 5319 1 353 . 1 1 41 41 LYS HA H 1 5.23 0.01 . 1 . . . . 40 . . . 5319 1 354 . 1 1 41 41 LYS HB2 H 1 1.05 0.01 . 1 . . . . 40 . . . 5319 1 355 . 1 1 41 41 LYS HB3 H 1 0.74 0.01 . 1 . . . . 40 . . . 5319 1 356 . 1 1 41 41 LYS HG2 H 1 0.14 0.01 . 1 . . . . 40 . . . 5319 1 357 . 1 1 41 41 LYS HG3 H 1 -0.21 0.01 . 1 . . . . 40 . . . 5319 1 358 . 1 1 41 41 LYS HD2 H 1 1.17 0.01 . 1 . . . . 40 . . . 5319 1 359 . 1 1 41 41 LYS HD3 H 1 0.31 0.01 . 1 . . . . 40 . . . 5319 1 360 . 1 1 41 41 LYS HE2 H 1 1.79 0.01 . 1 . . . . 40 . . . 5319 1 361 . 1 1 41 41 LYS HE3 H 1 1.99 0.01 . 1 . . . . 40 . . . 5319 1 362 . 1 1 41 41 LYS HZ1 H 1 6.98 0.01 . 1 . . . . 40 . . . 5319 1 363 . 1 1 41 41 LYS HZ2 H 1 6.98 0.01 . 1 . . . . 40 . . . 5319 1 364 . 1 1 41 41 LYS HZ3 H 1 6.98 0.01 . 1 . . . . 40 . . . 5319 1 365 . 1 1 41 41 LYS N N 15 116.1 0.1 . 1 . . . . 40 . . . 5319 1 366 . 1 1 41 41 LYS NZ N 15 33.1 0.1 . 1 . . . . 40 . . . 5319 1 367 . 1 1 42 42 GLU H H 1 8.99 0.01 . 1 . . . . 41 . . . 5319 1 368 . 1 1 42 42 GLU HA H 1 5.15 0.01 . 1 . . . . 41 . . . 5319 1 369 . 1 1 42 42 GLU HB2 H 1 1.78 0.01 . 1 . . . . 41 . . . 5319 1 370 . 1 1 42 42 GLU HB3 H 1 2.09 0.01 . 1 . . . . 41 . . . 5319 1 371 . 1 1 42 42 GLU HG2 H 1 2.22 0.01 . 1 . . . . 41 . . . 5319 1 372 . 1 1 42 42 GLU HG3 H 1 1.91 0.01 . 1 . . . . 41 . . . 5319 1 373 . 1 1 42 42 GLU N N 15 124.4 0.1 . 1 . . . . 41 . . . 5319 1 374 . 1 1 43 43 ILE H H 1 9.39 0.01 . 1 . . . . 42 . . . 5319 1 375 . 1 1 43 43 ILE HA H 1 5.21 0.01 . 1 . . . . 42 . . . 5319 1 376 . 1 1 43 43 ILE HB H 1 2.25 0.01 . 1 . . . . 42 . . . 5319 1 377 . 1 1 43 43 ILE HG12 H 1 1.46 0.01 . 1 . . . . 42 . . . 5319 1 378 . 1 1 43 43 ILE HG13 H 1 1.46 0.01 . 1 . . . . 42 . . . 5319 1 379 . 1 1 43 43 ILE HG21 H 1 0.65 0.01 . 1 . . . . 42 . . . 5319 1 380 . 1 1 43 43 ILE HG22 H 1 0.65 0.01 . 1 . . . . 42 . . . 5319 1 381 . 1 1 43 43 ILE HG23 H 1 0.65 0.01 . 1 . . . . 42 . . . 5319 1 382 . 1 1 43 43 ILE HD11 H 1 0.35 0.01 . 1 . . . . 42 . . . 5319 1 383 . 1 1 43 43 ILE HD12 H 1 0.35 0.01 . 1 . . . . 42 . . . 5319 1 384 . 1 1 43 43 ILE HD13 H 1 0.35 0.01 . 1 . . . . 42 . . . 5319 1 385 . 1 1 43 43 ILE N N 15 127.7 0.1 . 1 . . . . 42 . . . 5319 1 386 . 1 1 44 44 VAL H H 1 8.94 0.01 . 1 . . . . 43 . . . 5319 1 387 . 1 1 44 44 VAL HA H 1 4.52 0.01 . 1 . . . . 43 . . . 5319 1 388 . 1 1 44 44 VAL HB H 1 1.81 0.01 . 1 . . . . 43 . . . 5319 1 389 . 1 1 44 44 VAL HG11 H 1 0.86 0.01 . 1 . . . . 43 . . . 5319 1 390 . 1 1 44 44 VAL HG12 H 1 0.86 0.01 . 1 . . . . 43 . . . 5319 1 391 . 1 1 44 44 VAL HG13 H 1 0.86 0.01 . 1 . . . . 43 . . . 5319 1 392 . 1 1 44 44 VAL HG21 H 1 0.88 0.01 . 1 . . . . 43 . . . 5319 1 393 . 1 1 44 44 VAL HG22 H 1 0.88 0.01 . 1 . . . . 43 . . . 5319 1 394 . 1 1 44 44 VAL HG23 H 1 0.88 0.01 . 1 . . . . 43 . . . 5319 1 395 . 1 1 44 44 VAL N N 15 129.3 0.1 . 1 . . . . 43 . . . 5319 1 396 . 1 1 45 45 GLN H H 1 9.38 0.01 . 1 . . . . 44 . . . 5319 1 397 . 1 1 45 45 GLN HA H 1 4.91 0.01 . 1 . . . . 44 . . . 5319 1 398 . 1 1 45 45 GLN HB2 H 1 1.80 0.01 . 1 . . . . 44 . . . 5319 1 399 . 1 1 45 45 GLN HB3 H 1 2.11 0.01 . 1 . . . . 44 . . . 5319 1 400 . 1 1 45 45 GLN HG2 H 1 2.43 0.01 . 1 . . . . 44 . . . 5319 1 401 . 1 1 45 45 GLN HG3 H 1 2.43 0.01 . 1 . . . . 44 . . . 5319 1 402 . 1 1 45 45 GLN HE21 H 1 8.06 0.01 . 1 . . . . 44 . . . 5319 1 403 . 1 1 45 45 GLN HE22 H 1 7.52 0.01 . 1 . . . . 44 . . . 5319 1 404 . 1 1 45 45 GLN N N 15 132.3 0.1 . 1 . . . . 44 . . . 5319 1 405 . 1 1 45 45 GLN NE2 N 15 107.4 0.1 . 1 . . . . 44 . . . 5319 1 406 . 1 1 46 46 ASP H H 1 8.79 0.01 . 1 . . . . 45 . . . 5319 1 407 . 1 1 46 46 ASP HA H 1 4.95 0.01 . 1 . . . . 45 . . . 5319 1 408 . 1 1 46 46 ASP HB2 H 1 2.51 0.01 . 1 . . . . 45 . . . 5319 1 409 . 1 1 46 46 ASP HB3 H 1 2.78 0.01 . 1 . . . . 45 . . . 5319 1 410 . 1 1 46 46 ASP N N 15 128.4 0.1 . 1 . . . . 45 . . . 5319 1 411 . 1 1 47 47 GLY H H 1 9.20 0.01 . 1 . . . . 46 . . . 5319 1 412 . 1 1 47 47 GLY HA2 H 1 3.76 0.01 . 1 . . . . 46 . . . 5319 1 413 . 1 1 47 47 GLY HA3 H 1 4.09 0.01 . 1 . . . . 46 . . . 5319 1 414 . 1 1 47 47 GLY N N 15 116.7 0.1 . 1 . . . . 46 . . . 5319 1 415 . 1 1 48 48 ASP H H 1 8.98 0.01 . 1 . . . . 47 . . . 5319 1 416 . 1 1 48 48 ASP HA H 1 4.97 0.01 . 1 . . . . 47 . . . 5319 1 417 . 1 1 48 48 ASP HB2 H 1 3.14 0.01 . 1 . . . . 47 . . . 5319 1 418 . 1 1 48 48 ASP HB3 H 1 2.78 0.01 . 1 . . . . 47 . . . 5319 1 419 . 1 1 48 48 ASP N N 15 126.1 0.1 . 1 . . . . 47 . . . 5319 1 420 . 1 1 49 49 HIS H H 1 8.34 0.01 . 1 . . . . 48 . . . 5319 1 421 . 1 1 49 49 HIS HA H 1 5.08 0.01 . 1 . . . . 48 . . . 5319 1 422 . 1 1 49 49 HIS HB2 H 1 3.19 0.01 . 1 . . . . 48 . . . 5319 1 423 . 1 1 49 49 HIS HB3 H 1 3.58 0.01 . 1 . . . . 48 . . . 5319 1 424 . 1 1 49 49 HIS HD2 H 1 7.21 0.01 . 1 . . . . 48 . . . 5319 1 425 . 1 1 49 49 HIS HE1 H 1 8.41 0.01 . 1 . . . . 48 . . . 5319 1 426 . 1 1 49 49 HIS N N 15 119.8 0.1 . 1 . . . . 48 . . . 5319 1 427 . 1 1 50 50 MET H H 1 8.65 0.01 . 1 . . . . 49 . . . 5319 1 428 . 1 1 50 50 MET HA H 1 4.77 0.01 . 1 . . . . 49 . . . 5319 1 429 . 1 1 50 50 MET HB2 H 1 1.06 0.01 . 1 . . . . 49 . . . 5319 1 430 . 1 1 50 50 MET HB3 H 1 0.96 0.01 . 1 . . . . 49 . . . 5319 1 431 . 1 1 50 50 MET HG2 H 1 1.98 0.01 . 1 . . . . 49 . . . 5319 1 432 . 1 1 50 50 MET HG3 H 1 2.10 0.01 . 1 . . . . 49 . . . 5319 1 433 . 1 1 50 50 MET HE1 H 1 1.92 0.01 . 1 . . . . 49 . . . 5319 1 434 . 1 1 50 50 MET HE2 H 1 1.92 0.01 . 1 . . . . 49 . . . 5319 1 435 . 1 1 50 50 MET HE3 H 1 1.92 0.01 . 1 . . . . 49 . . . 5319 1 436 . 1 1 50 50 MET N N 15 129.3 0.1 . 1 . . . . 49 . . . 5319 1 437 . 1 1 51 51 ILE H H 1 8.42 0.01 . 1 . . . . 50 . . . 5319 1 438 . 1 1 51 51 ILE HA H 1 4.72 0.01 . 1 . . . . 50 . . . 5319 1 439 . 1 1 51 51 ILE HB H 1 1.47 0.01 . 1 . . . . 50 . . . 5319 1 440 . 1 1 51 51 ILE HG12 H 1 1.05 0.01 . 1 . . . . 50 . . . 5319 1 441 . 1 1 51 51 ILE HG13 H 1 1.05 0.01 . 1 . . . . 50 . . . 5319 1 442 . 1 1 51 51 ILE HG21 H 1 0.74 0.01 . 1 . . . . 50 . . . 5319 1 443 . 1 1 51 51 ILE HG22 H 1 0.74 0.01 . 1 . . . . 50 . . . 5319 1 444 . 1 1 51 51 ILE HG23 H 1 0.74 0.01 . 1 . . . . 50 . . . 5319 1 445 . 1 1 51 51 ILE HD11 H 1 0.63 0.01 . 1 . . . . 50 . . . 5319 1 446 . 1 1 51 51 ILE HD12 H 1 0.63 0.01 . 1 . . . . 50 . . . 5319 1 447 . 1 1 51 51 ILE HD13 H 1 0.63 0.01 . 1 . . . . 50 . . . 5319 1 448 . 1 1 51 51 ILE N N 15 121.8 0.1 . 1 . . . . 50 . . . 5319 1 449 . 1 1 52 52 ILE H H 1 8.76 0.01 . 1 . . . . 51 . . . 5319 1 450 . 1 1 52 52 ILE HA H 1 4.47 0.01 . 1 . . . . 51 . . . 5319 1 451 . 1 1 52 52 ILE HB H 1 1.75 0.01 . 1 . . . . 51 . . . 5319 1 452 . 1 1 52 52 ILE HG12 H 1 1.05 0.01 . 9 . . . . 51 . . . 5319 1 453 . 1 1 52 52 ILE HG13 H 1 0.74 0.01 . 1 . . . . 51 . . . 5319 1 454 . 1 1 52 52 ILE HG21 H 1 0.53 0.01 . 1 . . . . 51 . . . 5319 1 455 . 1 1 52 52 ILE HG22 H 1 0.53 0.01 . 1 . . . . 51 . . . 5319 1 456 . 1 1 52 52 ILE HG23 H 1 0.53 0.01 . 1 . . . . 51 . . . 5319 1 457 . 1 1 52 52 ILE HD11 H 1 0.92 0.01 . 1 . . . . 51 . . . 5319 1 458 . 1 1 52 52 ILE HD12 H 1 0.92 0.01 . 1 . . . . 51 . . . 5319 1 459 . 1 1 52 52 ILE HD13 H 1 0.92 0.01 . 1 . . . . 51 . . . 5319 1 460 . 1 1 52 52 ILE N N 15 122.5 0.1 . 1 . . . . 51 . . . 5319 1 461 . 1 1 53 53 ARG H H 1 9.97 0.01 . 1 . . . . 52 . . . 5319 1 462 . 1 1 53 53 ARG HA H 1 4.64 0.01 . 1 . . . . 52 . . . 5319 1 463 . 1 1 53 53 ARG HB2 H 1 2.23 0.01 . 1 . . . . 52 . . . 5319 1 464 . 1 1 53 53 ARG HB3 H 1 1.47 0.01 . 1 . . . . 52 . . . 5319 1 465 . 1 1 53 53 ARG HG2 H 1 1.31 0.01 . 1 . . . . 52 . . . 5319 1 466 . 1 1 53 53 ARG HG3 H 1 1.71 0.01 . 1 . . . . 52 . . . 5319 1 467 . 1 1 53 53 ARG HD2 H 1 3.46 0.01 . 1 . . . . 52 . . . 5319 1 468 . 1 1 53 53 ARG HD3 H 1 3.08 0.01 . 1 . . . . 52 . . . 5319 1 469 . 1 1 53 53 ARG HE H 1 7.27 0.01 . 1 . . . . 52 . . . 5319 1 470 . 1 1 53 53 ARG N N 15 131.6 0.1 . 1 . . . . 52 . . . 5319 1 471 . 1 1 53 53 ARG NE N 15 84.7 0.1 . 1 . . . . 52 . . . 5319 1 472 . 1 1 54 54 THR H H 1 8.72 0.01 . 1 . . . . 53 . . . 5319 1 473 . 1 1 54 54 THR HA H 1 4.94 0.01 . 1 . . . . 53 . . . 5319 1 474 . 1 1 54 54 THR HB H 1 4.65 0.01 . 1 . . . . 53 . . . 5319 1 475 . 1 1 54 54 THR HG21 H 1 1.14 0.01 . 1 . . . . 53 . . . 5319 1 476 . 1 1 54 54 THR HG22 H 1 1.14 0.01 . 1 . . . . 53 . . . 5319 1 477 . 1 1 54 54 THR HG23 H 1 1.14 0.01 . 1 . . . . 53 . . . 5319 1 478 . 1 1 54 54 THR N N 15 123.8 0.1 . 1 . . . . 53 . . . 5319 1 479 . 1 1 55 55 LEU H H 1 8.79 0.01 . 1 . . . . 54 . . . 5319 1 480 . 1 1 55 55 LEU HA H 1 5.16 0.01 . 1 . . . . 54 . . . 5319 1 481 . 1 1 55 55 LEU HB2 H 1 1.67 0.01 . 9 . . . . 54 . . . 5319 1 482 . 1 1 55 55 LEU HB3 H 1 1.53 0.01 . 1 . . . . 54 . . . 5319 1 483 . 1 1 55 55 LEU HG H 1 1.35 0.01 . 1 . . . . 54 . . . 5319 1 484 . 1 1 55 55 LEU HD11 H 1 0.92 0.01 . 1 . . . . 54 . . . 5319 1 485 . 1 1 55 55 LEU HD12 H 1 0.92 0.01 . 1 . . . . 54 . . . 5319 1 486 . 1 1 55 55 LEU HD13 H 1 0.92 0.01 . 1 . . . . 54 . . . 5319 1 487 . 1 1 55 55 LEU HD21 H 1 0.71 0.01 . 1 . . . . 54 . . . 5319 1 488 . 1 1 55 55 LEU HD22 H 1 0.71 0.01 . 1 . . . . 54 . . . 5319 1 489 . 1 1 55 55 LEU HD23 H 1 0.71 0.01 . 1 . . . . 54 . . . 5319 1 490 . 1 1 55 55 LEU N N 15 128.1 0.1 . 1 . . . . 54 . . . 5319 1 491 . 1 1 56 56 SER H H 1 8.68 0.01 . 1 . . . . 55 . . . 5319 1 492 . 1 1 56 56 SER HA H 1 5.06 0.01 . 1 . . . . 55 . . . 5319 1 493 . 1 1 56 56 SER HB2 H 1 4.40 0.01 . 1 . . . . 55 . . . 5319 1 494 . 1 1 56 56 SER HB3 H 1 3.93 0.01 . 1 . . . . 55 . . . 5319 1 495 . 1 1 56 56 SER N N 15 115.0 0.1 . 1 . . . . 55 . . . 5319 1 496 . 1 1 57 57 THR H H 1 8.49 0.01 . 1 . . . . 56 . . . 5319 1 497 . 1 1 57 57 THR HA H 1 4.13 0.01 . 1 . . . . 56 . . . 5319 1 498 . 1 1 57 57 THR HB H 1 4.38 0.01 . 1 . . . . 56 . . . 5319 1 499 . 1 1 57 57 THR HG21 H 1 1.35 0.01 . 1 . . . . 56 . . . 5319 1 500 . 1 1 57 57 THR HG22 H 1 1.35 0.01 . 1 . . . . 56 . . . 5319 1 501 . 1 1 57 57 THR HG23 H 1 1.35 0.01 . 1 . . . . 56 . . . 5319 1 502 . 1 1 57 57 THR N N 15 110.1 0.1 . 1 . . . . 56 . . . 5319 1 503 . 1 1 58 58 PHE H H 1 7.46 0.01 . 1 . . . . 57 . . . 5319 1 504 . 1 1 58 58 PHE HA H 1 4.59 0.01 . 1 . . . . 57 . . . 5319 1 505 . 1 1 58 58 PHE HB2 H 1 3.32 0.01 . 1 . . . . 57 . . . 5319 1 506 . 1 1 58 58 PHE HB3 H 1 2.65 0.01 . 1 . . . . 57 . . . 5319 1 507 . 1 1 58 58 PHE HD1 H 1 7.13 0.01 . 1 . . . . 57 . . . 5319 1 508 . 1 1 58 58 PHE HD2 H 1 7.13 0.01 . 1 . . . . 57 . . . 5319 1 509 . 1 1 58 58 PHE HE1 H 1 7.28 0.01 . 1 . . . . 57 . . . 5319 1 510 . 1 1 58 58 PHE HE2 H 1 7.28 0.01 . 1 . . . . 57 . . . 5319 1 511 . 1 1 58 58 PHE HZ H 1 7.13 0.01 . 1 . . . . 57 . . . 5319 1 512 . 1 1 58 58 PHE N N 15 120.4 0.1 . 1 . . . . 57 . . . 5319 1 513 . 1 1 59 59 ARG H H 1 6.97 0.01 . 1 . . . . 58 . . . 5319 1 514 . 1 1 59 59 ARG HA H 1 4.24 0.01 . 1 . . . . 58 . . . 5319 1 515 . 1 1 59 59 ARG HB2 H 1 1.79 0.01 . 1 . . . . 58 . . . 5319 1 516 . 1 1 59 59 ARG HB3 H 1 1.56 0.01 . 1 . . . . 58 . . . 5319 1 517 . 1 1 59 59 ARG HG2 H 1 1.72 0.01 . 1 . . . . 58 . . . 5319 1 518 . 1 1 59 59 ARG HG3 H 1 1.50 0.01 . 1 . . . . 58 . . . 5319 1 519 . 1 1 59 59 ARG HD2 H 1 3.14 0.01 . 1 . . . . 58 . . . 5319 1 520 . 1 1 59 59 ARG HD3 H 1 3.37 0.01 . 1 . . . . 58 . . . 5319 1 521 . 1 1 59 59 ARG HE H 1 7.12 0.01 . 1 . . . . 58 . . . 5319 1 522 . 1 1 59 59 ARG N N 15 115.7 0.1 . 1 . . . . 58 . . . 5319 1 523 . 1 1 59 59 ARG NE N 15 84.5 0.1 . 1 . . . . 58 . . . 5319 1 524 . 1 1 60 60 ASN H H 1 8.83 0.01 . 1 . . . . 59 . . . 5319 1 525 . 1 1 60 60 ASN HA H 1 5.81 0.01 . 1 . . . . 59 . . . 5319 1 526 . 1 1 60 60 ASN HB2 H 1 2.76 0.01 . 1 . . . . 59 . . . 5319 1 527 . 1 1 60 60 ASN HB3 H 1 2.59 0.01 . 1 . . . . 59 . . . 5319 1 528 . 1 1 60 60 ASN HD21 H 1 7.47 0.01 . 1 . . . . 59 . . . 5319 1 529 . 1 1 60 60 ASN HD22 H 1 6.57 0.01 . 1 . . . . 59 . . . 5319 1 530 . 1 1 60 60 ASN N N 15 122.0 0.1 . 1 . . . . 59 . . . 5319 1 531 . 1 1 60 60 ASN ND2 N 15 111.4 0.1 . 1 . . . . 59 . . . 5319 1 532 . 1 1 61 61 TYR H H 1 9.20 0.01 . 1 . . . . 60 . . . 5319 1 533 . 1 1 61 61 TYR HA H 1 5.10 0.01 . 1 . . . . 60 . . . 5319 1 534 . 1 1 61 61 TYR HB2 H 1 2.65 0.01 . 1 . . . . 60 . . . 5319 1 535 . 1 1 61 61 TYR HB3 H 1 3.08 0.01 . 1 . . . . 60 . . . 5319 1 536 . 1 1 61 61 TYR HD1 H 1 7.05 0.01 . 1 . . . . 60 . . . 5319 1 537 . 1 1 61 61 TYR HD2 H 1 7.05 0.01 . 1 . . . . 60 . . . 5319 1 538 . 1 1 61 61 TYR HE1 H 1 6.93 0.01 . 1 . . . . 60 . . . 5319 1 539 . 1 1 61 61 TYR HE2 H 1 6.93 0.01 . 1 . . . . 60 . . . 5319 1 540 . 1 1 61 61 TYR N N 15 118.5 0.1 . 1 . . . . 60 . . . 5319 1 541 . 1 1 62 62 ILE H H 1 9.17 0.01 . 1 . . . . 61 . . . 5319 1 542 . 1 1 62 62 ILE HA H 1 4.34 0.01 . 1 . . . . 61 . . . 5319 1 543 . 1 1 62 62 ILE HB H 1 1.83 0.01 . 1 . . . . 61 . . . 5319 1 544 . 1 1 62 62 ILE HG12 H 1 1.43 0.01 . 1 . . . . 61 . . . 5319 1 545 . 1 1 62 62 ILE HG13 H 1 1.17 0.01 . 1 . . . . 61 . . . 5319 1 546 . 1 1 62 62 ILE HG21 H 1 0.75 0.01 . 1 . . . . 61 . . . 5319 1 547 . 1 1 62 62 ILE HG22 H 1 0.75 0.01 . 1 . . . . 61 . . . 5319 1 548 . 1 1 62 62 ILE HG23 H 1 0.75 0.01 . 1 . . . . 61 . . . 5319 1 549 . 1 1 62 62 ILE HD11 H 1 0.81 0.01 . 1 . . . . 61 . . . 5319 1 550 . 1 1 62 62 ILE HD12 H 1 0.81 0.01 . 1 . . . . 61 . . . 5319 1 551 . 1 1 62 62 ILE HD13 H 1 0.81 0.01 . 1 . . . . 61 . . . 5319 1 552 . 1 1 62 62 ILE N N 15 134.8 0.1 . 1 . . . . 61 . . . 5319 1 553 . 1 1 63 63 MET H H 1 8.20 0.01 . 1 . . . . 62 . . . 5319 1 554 . 1 1 63 63 MET HA H 1 4.69 0.01 . 1 . . . . 62 . . . 5319 1 555 . 1 1 63 63 MET HB2 H 1 2.43 0.01 . 1 . . . . 62 . . . 5319 1 556 . 1 1 63 63 MET HB3 H 1 2.08 0.01 . 1 . . . . 62 . . . 5319 1 557 . 1 1 63 63 MET HG2 H 1 2.43 0.01 . 1 . . . . 62 . . . 5319 1 558 . 1 1 63 63 MET HG3 H 1 2.75 0.01 . 1 . . . . 62 . . . 5319 1 559 . 1 1 63 63 MET HE1 H 1 2.21 0.01 . 1 . . . . 62 . . . 5319 1 560 . 1 1 63 63 MET HE2 H 1 2.21 0.01 . 1 . . . . 62 . . . 5319 1 561 . 1 1 63 63 MET HE3 H 1 2.21 0.01 . 1 . . . . 62 . . . 5319 1 562 . 1 1 63 63 MET N N 15 123.9 0.1 . 1 . . . . 62 . . . 5319 1 563 . 1 1 64 64 ASP H H 1 8.66 0.01 . 1 . . . . 63 . . . 5319 1 564 . 1 1 64 64 ASP HA H 1 5.09 0.01 . 1 . . . . 63 . . . 5319 1 565 . 1 1 64 64 ASP HB2 H 1 2.85 0.01 . 1 . . . . 63 . . . 5319 1 566 . 1 1 64 64 ASP HB3 H 1 2.25 0.01 . 1 . . . . 63 . . . 5319 1 567 . 1 1 64 64 ASP N N 15 124.1 0.1 . 1 . . . . 63 . . . 5319 1 568 . 1 1 65 65 PHE H H 1 8.55 0.01 . 1 . . . . 64 . . . 5319 1 569 . 1 1 65 65 PHE HA H 1 4.74 0.01 . 1 . . . . 64 . . . 5319 1 570 . 1 1 65 65 PHE HB2 H 1 2.67 0.01 . 1 . . . . 64 . . . 5319 1 571 . 1 1 65 65 PHE HB3 H 1 1.87 0.01 . 1 . . . . 64 . . . 5319 1 572 . 1 1 65 65 PHE HD1 H 1 6.74 0.01 . 1 . . . . 64 . . . 5319 1 573 . 1 1 65 65 PHE HD2 H 1 6.74 0.01 . 1 . . . . 64 . . . 5319 1 574 . 1 1 65 65 PHE HE1 H 1 7.02 0.01 . 1 . . . . 64 . . . 5319 1 575 . 1 1 65 65 PHE HE2 H 1 7.02 0.01 . 1 . . . . 64 . . . 5319 1 576 . 1 1 65 65 PHE HZ H 1 7.13 0.01 . 1 . . . . 64 . . . 5319 1 577 . 1 1 65 65 PHE N N 15 121.0 0.1 . 1 . . . . 64 . . . 5319 1 578 . 1 1 66 66 GLN H H 1 9.08 0.01 . 1 . . . . 65 . . . 5319 1 579 . 1 1 66 66 GLN HA H 1 5.30 0.01 . 1 . . . . 65 . . . 5319 1 580 . 1 1 66 66 GLN HB2 H 1 2.05 0.01 . 1 . . . . 65 . . . 5319 1 581 . 1 1 66 66 GLN HB3 H 1 1.93 0.01 . 1 . . . . 65 . . . 5319 1 582 . 1 1 66 66 GLN HG2 H 1 2.30 0.01 . 1 . . . . 65 . . . 5319 1 583 . 1 1 66 66 GLN HG3 H 1 2.30 0.01 . 1 . . . . 65 . . . 5319 1 584 . 1 1 66 66 GLN HE21 H 1 6.65 0.01 . 1 . . . . 65 . . . 5319 1 585 . 1 1 66 66 GLN HE22 H 1 7.54 0.01 . 1 . . . . 65 . . . 5319 1 586 . 1 1 66 66 GLN N N 15 118.9 0.1 . 1 . . . . 65 . . . 5319 1 587 . 1 1 66 66 GLN NE2 N 15 111.1 0.1 . 1 . . . . 65 . . . 5319 1 588 . 1 1 67 67 VAL H H 1 9.73 0.01 . 1 . . . . 66 . . . 5319 1 589 . 1 1 67 67 VAL HA H 1 3.70 0.01 . 1 . . . . 66 . . . 5319 1 590 . 1 1 67 67 VAL HB H 1 2.09 0.01 . 1 . . . . 66 . . . 5319 1 591 . 1 1 67 67 VAL HG11 H 1 0.73 0.01 . 1 . . . . 66 . . . 5319 1 592 . 1 1 67 67 VAL HG12 H 1 0.73 0.01 . 1 . . . . 66 . . . 5319 1 593 . 1 1 67 67 VAL HG13 H 1 0.73 0.01 . 1 . . . . 66 . . . 5319 1 594 . 1 1 67 67 VAL HG21 H 1 1.00 0.01 . 1 . . . . 66 . . . 5319 1 595 . 1 1 67 67 VAL HG22 H 1 1.00 0.01 . 1 . . . . 66 . . . 5319 1 596 . 1 1 67 67 VAL HG23 H 1 1.00 0.01 . 1 . . . . 66 . . . 5319 1 597 . 1 1 67 67 VAL N N 15 128.6 0.1 . 1 . . . . 66 . . . 5319 1 598 . 1 1 68 68 GLY H H 1 9.72 0.01 . 1 . . . . 67 . . . 5319 1 599 . 1 1 68 68 GLY HA2 H 1 4.42 0.01 . 1 . . . . 67 . . . 5319 1 600 . 1 1 68 68 GLY HA3 H 1 3.69 0.01 . 1 . . . . 67 . . . 5319 1 601 . 1 1 68 68 GLY N N 15 115.2 0.1 . 1 . . . . 67 . . . 5319 1 602 . 1 1 69 69 LYS H H 1 7.79 0.01 . 1 . . . . 68 . . . 5319 1 603 . 1 1 69 69 LYS HA H 1 4.83 0.01 . 1 . . . . 68 . . . 5319 1 604 . 1 1 69 69 LYS HB2 H 1 2.05 0.01 . 1 . . . . 68 . . . 5319 1 605 . 1 1 69 69 LYS HB3 H 1 1.83 0.01 . 1 . . . . 68 . . . 5319 1 606 . 1 1 69 69 LYS HG2 H 1 1.44 0.01 . 1 . . . . 68 . . . 5319 1 607 . 1 1 69 69 LYS HG3 H 1 1.48 0.01 . 1 . . . . 68 . . . 5319 1 608 . 1 1 69 69 LYS HD2 H 1 1.73 0.01 . 1 . . . . 68 . . . 5319 1 609 . 1 1 69 69 LYS HD3 H 1 1.73 0.01 . 1 . . . . 68 . . . 5319 1 610 . 1 1 69 69 LYS HE2 H 1 3.07 0.01 . 1 . . . . 68 . . . 5319 1 611 . 1 1 69 69 LYS HE3 H 1 3.07 0.01 . 1 . . . . 68 . . . 5319 1 612 . 1 1 69 69 LYS N N 15 121.1 0.1 . 1 . . . . 68 . . . 5319 1 613 . 1 1 70 70 GLU H H 1 8.94 0.01 . 1 . . . . 69 . . . 5319 1 614 . 1 1 70 70 GLU HA H 1 4.87 0.01 . 1 . . . . 69 . . . 5319 1 615 . 1 1 70 70 GLU HB2 H 1 1.87 0.01 . 1 . . . . 69 . . . 5319 1 616 . 1 1 70 70 GLU HB3 H 1 1.87 0.01 . 1 . . . . 69 . . . 5319 1 617 . 1 1 70 70 GLU HG2 H 1 1.90 0.01 . 1 . . . . 69 . . . 5319 1 618 . 1 1 70 70 GLU HG3 H 1 1.90 0.01 . 1 . . . . 69 . . . 5319 1 619 . 1 1 70 70 GLU N N 15 132.3 0.1 . 1 . . . . 69 . . . 5319 1 620 . 1 1 71 71 PHE H H 1 9.35 0.01 . 1 . . . . 70 . . . 5319 1 621 . 1 1 71 71 PHE HA H 1 5.10 0.01 . 1 . . . . 70 . . . 5319 1 622 . 1 1 71 71 PHE HB2 H 1 3.20 0.01 . 1 . . . . 70 . . . 5319 1 623 . 1 1 71 71 PHE HB3 H 1 3.16 0.01 . 1 . . . . 70 . . . 5319 1 624 . 1 1 71 71 PHE HD1 H 1 7.45 0.01 . 1 . . . . 70 . . . 5319 1 625 . 1 1 71 71 PHE HD2 H 1 7.45 0.01 . 1 . . . . 70 . . . 5319 1 626 . 1 1 71 71 PHE HE1 H 1 7.00 0.01 . 1 . . . . 70 . . . 5319 1 627 . 1 1 71 71 PHE HE2 H 1 7.00 0.01 . 1 . . . . 70 . . . 5319 1 628 . 1 1 71 71 PHE HZ H 1 6.51 0.01 . 1 . . . . 70 . . . 5319 1 629 . 1 1 71 71 PHE N N 15 125.0 0.1 . 1 . . . . 70 . . . 5319 1 630 . 1 1 72 72 GLU H H 1 8.72 0.01 . 1 . . . . 71 . . . 5319 1 631 . 1 1 72 72 GLU HA H 1 4.92 0.01 . 1 . . . . 71 . . . 5319 1 632 . 1 1 72 72 GLU HB2 H 1 2.15 0.01 . 1 . . . . 71 . . . 5319 1 633 . 1 1 72 72 GLU HB3 H 1 2.15 0.01 . 1 . . . . 71 . . . 5319 1 634 . 1 1 72 72 GLU HG2 H 1 1.94 0.01 . 1 . . . . 71 . . . 5319 1 635 . 1 1 72 72 GLU HG3 H 1 1.88 0.01 . 1 . . . . 71 . . . 5319 1 636 . 1 1 72 72 GLU N N 15 121.3 0.1 . 1 . . . . 71 . . . 5319 1 637 . 1 1 73 73 GLU H H 1 9.61 0.01 . 1 . . . . 72 . . . 5319 1 638 . 1 1 73 73 GLU HA H 1 4.55 0.01 . 1 . . . . 72 . . . 5319 1 639 . 1 1 73 73 GLU HB2 H 1 1.98 0.01 . 1 . . . . 72 . . . 5319 1 640 . 1 1 73 73 GLU HB3 H 1 1.98 0.01 . 1 . . . . 72 . . . 5319 1 641 . 1 1 73 73 GLU HG2 H 1 2.29 0.01 . 1 . . . . 72 . . . 5319 1 642 . 1 1 73 73 GLU HG3 H 1 2.29 0.01 . 1 . . . . 72 . . . 5319 1 643 . 1 1 73 73 GLU N N 15 135.3 0.1 . 1 . . . . 72 . . . 5319 1 644 . 1 1 74 74 ASP H H 1 9.17 0.01 . 1 . . . . 73 . . . 5319 1 645 . 1 1 74 74 ASP HA H 1 4.85 0.01 . 1 . . . . 73 . . . 5319 1 646 . 1 1 74 74 ASP HB2 H 1 2.72 0.01 . 1 . . . . 73 . . . 5319 1 647 . 1 1 74 74 ASP HB3 H 1 3.26 0.01 . 1 . . . . 73 . . . 5319 1 648 . 1 1 74 74 ASP N N 15 127.5 0.1 . 1 . . . . 73 . . . 5319 1 649 . 1 1 75 75 LEU H H 1 8.32 0.01 . 1 . . . . 74 . . . 5319 1 650 . 1 1 75 75 LEU HA H 1 4.45 0.01 . 1 . . . . 74 . . . 5319 1 651 . 1 1 75 75 LEU HB2 H 1 1.74 0.01 . 1 . . . . 74 . . . 5319 1 652 . 1 1 75 75 LEU HB3 H 1 1.89 0.01 . 1 . . . . 74 . . . 5319 1 653 . 1 1 75 75 LEU HG H 1 1.41 0.01 . 1 . . . . 74 . . . 5319 1 654 . 1 1 75 75 LEU HD11 H 1 0.66 0.01 . 1 . . . . 74 . . . 5319 1 655 . 1 1 75 75 LEU HD12 H 1 0.66 0.01 . 1 . . . . 74 . . . 5319 1 656 . 1 1 75 75 LEU HD13 H 1 0.66 0.01 . 1 . . . . 74 . . . 5319 1 657 . 1 1 75 75 LEU HD21 H 1 0.56 0.01 . 1 . . . . 74 . . . 5319 1 658 . 1 1 75 75 LEU HD22 H 1 0.56 0.01 . 1 . . . . 74 . . . 5319 1 659 . 1 1 75 75 LEU HD23 H 1 0.56 0.01 . 1 . . . . 74 . . . 5319 1 660 . 1 1 75 75 LEU N N 15 127.3 0.1 . 1 . . . . 74 . . . 5319 1 661 . 1 1 76 76 THR H H 1 8.21 0.01 . 1 . . . . 75 . . . 5319 1 662 . 1 1 76 76 THR HA H 1 4.33 0.01 . 1 . . . . 75 . . . 5319 1 663 . 1 1 76 76 THR HB H 1 4.01 0.01 . 1 . . . . 75 . . . 5319 1 664 . 1 1 76 76 THR HG21 H 1 1.21 0.01 . 1 . . . . 75 . . . 5319 1 665 . 1 1 76 76 THR HG22 H 1 1.21 0.01 . 1 . . . . 75 . . . 5319 1 666 . 1 1 76 76 THR HG23 H 1 1.21 0.01 . 1 . . . . 75 . . . 5319 1 667 . 1 1 76 76 THR N N 15 121.2 0.1 . 1 . . . . 75 . . . 5319 1 668 . 1 1 77 77 GLY H H 1 8.94 0.01 . 1 . . . . 76 . . . 5319 1 669 . 1 1 77 77 GLY HA2 H 1 3.69 0.01 . 1 . . . . 76 . . . 5319 1 670 . 1 1 77 77 GLY HA3 H 1 4.34 0.01 . 1 . . . . 76 . . . 5319 1 671 . 1 1 77 77 GLY N N 15 117.1 0.1 . 1 . . . . 76 . . . 5319 1 672 . 1 1 78 78 ILE H H 1 7.75 0.01 . 1 . . . . 77 . . . 5319 1 673 . 1 1 78 78 ILE HA H 1 4.02 0.01 . 1 . . . . 77 . . . 5319 1 674 . 1 1 78 78 ILE HB H 1 1.63 0.01 . 1 . . . . 77 . . . 5319 1 675 . 1 1 78 78 ILE HG12 H 1 0.47 0.01 . 1 . . . . 77 . . . 5319 1 676 . 1 1 78 78 ILE HG13 H 1 0.89 0.01 . 1 . . . . 77 . . . 5319 1 677 . 1 1 78 78 ILE HG21 H 1 0.63 0.01 . 1 . . . . 77 . . . 5319 1 678 . 1 1 78 78 ILE HG22 H 1 0.63 0.01 . 1 . . . . 77 . . . 5319 1 679 . 1 1 78 78 ILE HG23 H 1 0.63 0.01 . 1 . . . . 77 . . . 5319 1 680 . 1 1 78 78 ILE HD11 H 1 -0.16 0.01 . 1 . . . . 77 . . . 5319 1 681 . 1 1 78 78 ILE HD12 H 1 -0.16 0.01 . 1 . . . . 77 . . . 5319 1 682 . 1 1 78 78 ILE HD13 H 1 -0.16 0.01 . 1 . . . . 77 . . . 5319 1 683 . 1 1 78 78 ILE N N 15 119.6 0.1 . 1 . . . . 77 . . . 5319 1 684 . 1 1 79 79 ASP H H 1 9.17 0.01 . 1 . . . . 78 . . . 5319 1 685 . 1 1 79 79 ASP HA H 1 4.56 0.01 . 1 . . . . 78 . . . 5319 1 686 . 1 1 79 79 ASP HB2 H 1 2.03 0.01 . 1 . . . . 78 . . . 5319 1 687 . 1 1 79 79 ASP HB3 H 1 2.88 0.01 . 1 . . . . 78 . . . 5319 1 688 . 1 1 79 79 ASP N N 15 114.6 0.1 . 1 . . . . 78 . . . 5319 1 689 . 1 1 80 80 ASP H H 1 7.95 0.01 . 1 . . . . 79 . . . 5319 1 690 . 1 1 80 80 ASP HA H 1 3.95 0.01 . 1 . . . . 79 . . . 5319 1 691 . 1 1 80 80 ASP HB2 H 1 2.91 0.01 . 1 . . . . 79 . . . 5319 1 692 . 1 1 80 80 ASP HB3 H 1 2.91 0.01 . 1 . . . . 79 . . . 5319 1 693 . 1 1 80 80 ASP N N 15 114.5 0.1 . 1 . . . . 79 . . . 5319 1 694 . 1 1 81 81 ARG H H 1 6.29 0.01 . 1 . . . . 80 . . . 5319 1 695 . 1 1 81 81 ARG HA H 1 4.56 0.01 . 1 . . . . 80 . . . 5319 1 696 . 1 1 81 81 ARG HB2 H 1 1.74 0.01 . 1 . . . . 80 . . . 5319 1 697 . 1 1 81 81 ARG HB3 H 1 1.49 0.01 . 1 . . . . 80 . . . 5319 1 698 . 1 1 81 81 ARG HG2 H 1 1.63 0.01 . 1 . . . . 80 . . . 5319 1 699 . 1 1 81 81 ARG HG3 H 1 1.37 0.01 . 1 . . . . 80 . . . 5319 1 700 . 1 1 81 81 ARG HD2 H 1 2.99 0.01 . 1 . . . . 80 . . . 5319 1 701 . 1 1 81 81 ARG HD3 H 1 2.99 0.01 . 1 . . . . 80 . . . 5319 1 702 . 1 1 81 81 ARG HE H 1 7.28 0.01 . 1 . . . . 80 . . . 5319 1 703 . 1 1 81 81 ARG HH21 H 1 6.72 0.01 . 1 . . . . 80 . . . 5319 1 704 . 1 1 81 81 ARG HH22 H 1 6.72 0.01 . 1 . . . . 80 . . . 5319 1 705 . 1 1 81 81 ARG N N 15 115.4 0.1 . 1 . . . . 80 . . . 5319 1 706 . 1 1 81 81 ARG NE N 15 85.5 0.1 . 1 . . . . 80 . . . 5319 1 707 . 1 1 81 81 ARG NH2 N 15 71.3 0.1 . 1 . . . . 80 . . . 5319 1 708 . 1 1 82 82 LYS H H 1 8.13 0.01 . 1 . . . . 81 . . . 5319 1 709 . 1 1 82 82 LYS HA H 1 5.46 0.01 . 1 . . . . 81 . . . 5319 1 710 . 1 1 82 82 LYS HB2 H 1 1.68 0.01 . 1 . . . . 81 . . . 5319 1 711 . 1 1 82 82 LYS HB3 H 1 1.68 0.01 . 1 . . . . 81 . . . 5319 1 712 . 1 1 82 82 LYS HG2 H 1 1.50 0.01 . 1 . . . . 81 . . . 5319 1 713 . 1 1 82 82 LYS HG3 H 1 1.34 0.01 . 1 . . . . 81 . . . 5319 1 714 . 1 1 82 82 LYS HD2 H 1 1.64 0.01 . 1 . . . . 81 . . . 5319 1 715 . 1 1 82 82 LYS HD3 H 1 1.64 0.01 . 1 . . . . 81 . . . 5319 1 716 . 1 1 82 82 LYS HE2 H 1 2.91 0.01 . 1 . . . . 81 . . . 5319 1 717 . 1 1 82 82 LYS HE3 H 1 2.91 0.01 . 1 . . . . 81 . . . 5319 1 718 . 1 1 82 82 LYS N N 15 117.6 0.1 . 1 . . . . 81 . . . 5319 1 719 . 1 1 83 83 CYS H H 1 8.83 0.01 . 1 . . . . 82 . . . 5319 1 720 . 1 1 83 83 CYS HA H 1 4.99 0.01 . 1 . . . . 82 . . . 5319 1 721 . 1 1 83 83 CYS HB2 H 1 2.26 0.01 . 1 . . . . 82 . . . 5319 1 722 . 1 1 83 83 CYS HB3 H 1 2.44 0.01 . 1 . . . . 82 . . . 5319 1 723 . 1 1 83 83 CYS HG H 1 1.15 0.01 . 1 . . . . 82 . . . 5319 1 724 . 1 1 83 83 CYS N N 15 120.8 0.1 . 1 . . . . 82 . . . 5319 1 725 . 1 1 84 84 MET H H 1 8.76 0.01 . 1 . . . . 83 . . . 5319 1 726 . 1 1 84 84 MET HA H 1 5.14 0.01 . 1 . . . . 83 . . . 5319 1 727 . 1 1 84 84 MET HB2 H 1 1.89 0.01 . 1 . . . . 83 . . . 5319 1 728 . 1 1 84 84 MET HB3 H 1 1.73 0.01 . 1 . . . . 83 . . . 5319 1 729 . 1 1 84 84 MET HG2 H 1 2.60 0.01 . 1 . . . . 83 . . . 5319 1 730 . 1 1 84 84 MET HG3 H 1 2.60 0.01 . 1 . . . . 83 . . . 5319 1 731 . 1 1 84 84 MET HE1 H 1 1.92 0.01 . 1 . . . . 83 . . . 5319 1 732 . 1 1 84 84 MET HE2 H 1 1.92 0.01 . 1 . . . . 83 . . . 5319 1 733 . 1 1 84 84 MET HE3 H 1 1.92 0.01 . 1 . . . . 83 . . . 5319 1 734 . 1 1 84 84 MET N N 15 120.1 0.1 . 1 . . . . 83 . . . 5319 1 735 . 1 1 85 85 THR H H 1 9.23 0.01 . 1 . . . . 84 . . . 5319 1 736 . 1 1 85 85 THR HA H 1 5.18 0.01 . 1 . . . . 84 . . . 5319 1 737 . 1 1 85 85 THR HB H 1 2.44 0.01 . 1 . . . . 84 . . . 5319 1 738 . 1 1 85 85 THR HG21 H 1 0.51 0.01 . 1 . . . . 84 . . . 5319 1 739 . 1 1 85 85 THR HG22 H 1 0.51 0.01 . 1 . . . . 84 . . . 5319 1 740 . 1 1 85 85 THR HG23 H 1 0.51 0.01 . 1 . . . . 84 . . . 5319 1 741 . 1 1 85 85 THR N N 15 130.7 0.1 . 1 . . . . 84 . . . 5319 1 742 . 1 1 86 86 THR H H 1 8.12 0.01 . 1 . . . . 85 . . . 5319 1 743 . 1 1 86 86 THR HA H 1 4.24 0.01 . 1 . . . . 85 . . . 5319 1 744 . 1 1 86 86 THR HB H 1 3.71 0.01 . 1 . . . . 85 . . . 5319 1 745 . 1 1 86 86 THR HG21 H 1 0.91 0.01 . 1 . . . . 85 . . . 5319 1 746 . 1 1 86 86 THR HG22 H 1 0.91 0.01 . 1 . . . . 85 . . . 5319 1 747 . 1 1 86 86 THR HG23 H 1 0.91 0.01 . 1 . . . . 85 . . . 5319 1 748 . 1 1 86 86 THR N N 15 118.3 0.1 . 1 . . . . 85 . . . 5319 1 749 . 1 1 87 87 VAL H H 1 9.47 0.01 . 1 . . . . 86 . . . 5319 1 750 . 1 1 87 87 VAL HA H 1 4.54 0.01 . 1 . . . . 86 . . . 5319 1 751 . 1 1 87 87 VAL HB H 1 1.57 0.01 . 1 . . . . 86 . . . 5319 1 752 . 1 1 87 87 VAL HG11 H 1 0.55 0.01 . 1 . . . . 86 . . . 5319 1 753 . 1 1 87 87 VAL HG12 H 1 0.55 0.01 . 1 . . . . 86 . . . 5319 1 754 . 1 1 87 87 VAL HG13 H 1 0.55 0.01 . 1 . . . . 86 . . . 5319 1 755 . 1 1 87 87 VAL HG21 H 1 -0.01 0.01 . 1 . . . . 86 . . . 5319 1 756 . 1 1 87 87 VAL HG22 H 1 -0.01 0.01 . 1 . . . . 86 . . . 5319 1 757 . 1 1 87 87 VAL HG23 H 1 -0.01 0.01 . 1 . . . . 86 . . . 5319 1 758 . 1 1 87 87 VAL N N 15 132.7 0.1 . 1 . . . . 86 . . . 5319 1 759 . 1 1 88 88 SER H H 1 9.30 0.01 . 1 . . . . 87 . . . 5319 1 760 . 1 1 88 88 SER HA H 1 4.80 0.01 . 1 . . . . 87 . . . 5319 1 761 . 1 1 88 88 SER HB2 H 1 3.74 0.01 . 1 . . . . 87 . . . 5319 1 762 . 1 1 88 88 SER HB3 H 1 3.68 0.01 . 1 . . . . 87 . . . 5319 1 763 . 1 1 88 88 SER N N 15 121.1 0.1 . 1 . . . . 87 . . . 5319 1 764 . 1 1 89 89 TRP H H 1 8.69 0.01 . 1 . . . . 88 . . . 5319 1 765 . 1 1 89 89 TRP HA H 1 5.12 0.01 . 1 . . . . 88 . . . 5319 1 766 . 1 1 89 89 TRP HB2 H 1 3.15 0.01 . 1 . . . . 88 . . . 5319 1 767 . 1 1 89 89 TRP HB3 H 1 3.46 0.01 . 1 . . . . 88 . . . 5319 1 768 . 1 1 89 89 TRP HD1 H 1 7.39 0.01 . 1 . . . . 88 . . . 5319 1 769 . 1 1 89 89 TRP HE1 H 1 10.77 0.01 . 1 . . . . 88 . . . 5319 1 770 . 1 1 89 89 TRP HE3 H 1 7.79 0.01 . 1 . . . . 88 . . . 5319 1 771 . 1 1 89 89 TRP HZ2 H 1 7.57 0.01 . 1 . . . . 88 . . . 5319 1 772 . 1 1 89 89 TRP HZ3 H 1 7.15 0.01 . 1 . . . . 88 . . . 5319 1 773 . 1 1 89 89 TRP HH2 H 1 7.52 0.01 . 1 . . . . 88 . . . 5319 1 774 . 1 1 89 89 TRP N N 15 120.8 0.1 . 1 . . . . 88 . . . 5319 1 775 . 1 1 89 89 TRP NE1 N 15 129.9 0.1 . 1 . . . . 88 . . . 5319 1 776 . 1 1 90 90 ASP H H 1 9.51 0.01 . 1 . . . . 89 . . . 5319 1 777 . 1 1 90 90 ASP HA H 1 4.88 0.01 . 1 . . . . 89 . . . 5319 1 778 . 1 1 90 90 ASP HB2 H 1 2.73 0.01 . 1 . . . . 89 . . . 5319 1 779 . 1 1 90 90 ASP HB3 H 1 2.56 0.01 . 1 . . . . 89 . . . 5319 1 780 . 1 1 90 90 ASP N N 15 125.5 0.1 . 1 . . . . 89 . . . 5319 1 781 . 1 1 91 91 GLY H H 1 8.93 0.01 . 1 . . . . 90 . . . 5319 1 782 . 1 1 91 91 GLY HA2 H 1 3.63 0.01 . 1 . . . . 90 . . . 5319 1 783 . 1 1 91 91 GLY HA3 H 1 4.07 0.01 . 1 . . . . 90 . . . 5319 1 784 . 1 1 91 91 GLY N N 15 114.3 0.1 . 1 . . . . 90 . . . 5319 1 785 . 1 1 92 92 ASP H H 1 8.91 0.01 . 1 . . . . 91 . . . 5319 1 786 . 1 1 92 92 ASP HA H 1 4.69 0.01 . 1 . . . . 91 . . . 5319 1 787 . 1 1 92 92 ASP HB2 H 1 2.94 0.01 . 1 . . . . 91 . . . 5319 1 788 . 1 1 92 92 ASP HB3 H 1 2.64 0.01 . 1 . . . . 91 . . . 5319 1 789 . 1 1 92 92 ASP N N 15 128.3 0.1 . 1 . . . . 91 . . . 5319 1 790 . 1 1 93 93 LYS H H 1 8.10 0.01 . 1 . . . . 92 . . . 5319 1 791 . 1 1 93 93 LYS HA H 1 5.26 0.01 . 1 . . . . 92 . . . 5319 1 792 . 1 1 93 93 LYS HB2 H 1 2.18 0.01 . 1 . . . . 92 . . . 5319 1 793 . 1 1 93 93 LYS HB3 H 1 2.18 0.01 . 1 . . . . 92 . . . 5319 1 794 . 1 1 93 93 LYS HG2 H 1 1.34 0.01 . 1 . . . . 92 . . . 5319 1 795 . 1 1 93 93 LYS HG3 H 1 1.63 0.01 . 1 . . . . 92 . . . 5319 1 796 . 1 1 93 93 LYS HD2 H 1 1.74 0.01 . 1 . . . . 92 . . . 5319 1 797 . 1 1 93 93 LYS HD3 H 1 1.74 0.01 . 1 . . . . 92 . . . 5319 1 798 . 1 1 93 93 LYS HE2 H 1 2.91 0.01 . 1 . . . . 92 . . . 5319 1 799 . 1 1 93 93 LYS HE3 H 1 2.91 0.01 . 1 . . . . 92 . . . 5319 1 800 . 1 1 93 93 LYS N N 15 117.6 0.1 . 1 . . . . 92 . . . 5319 1 801 . 1 1 94 94 LEU H H 1 9.40 0.01 . 1 . . . . 93 . . . 5319 1 802 . 1 1 94 94 LEU HA H 1 4.81 0.01 . 1 . . . . 93 . . . 5319 1 803 . 1 1 94 94 LEU HB2 H 1 1.42 0.01 . 1 . . . . 93 . . . 5319 1 804 . 1 1 94 94 LEU HB3 H 1 1.63 0.01 . 1 . . . . 93 . . . 5319 1 805 . 1 1 94 94 LEU HG H 1 1.17 0.01 . 1 . . . . 93 . . . 5319 1 806 . 1 1 94 94 LEU HD11 H 1 -0.16 0.01 . 1 . . . . 93 . . . 5319 1 807 . 1 1 94 94 LEU HD12 H 1 -0.16 0.01 . 1 . . . . 93 . . . 5319 1 808 . 1 1 94 94 LEU HD13 H 1 -0.16 0.01 . 1 . . . . 93 . . . 5319 1 809 . 1 1 94 94 LEU HD21 H 1 0.13 0.01 . 1 . . . . 93 . . . 5319 1 810 . 1 1 94 94 LEU HD22 H 1 0.13 0.01 . 1 . . . . 93 . . . 5319 1 811 . 1 1 94 94 LEU HD23 H 1 0.13 0.01 . 1 . . . . 93 . . . 5319 1 812 . 1 1 94 94 LEU N N 15 122.2 0.1 . 1 . . . . 93 . . . 5319 1 813 . 1 1 95 95 GLN H H 1 9.16 0.01 . 1 . . . . 94 . . . 5319 1 814 . 1 1 95 95 GLN HA H 1 5.10 0.01 . 1 . . . . 94 . . . 5319 1 815 . 1 1 95 95 GLN HB2 H 1 1.84 0.01 . 1 . . . . 94 . . . 5319 1 816 . 1 1 95 95 GLN HB3 H 1 1.73 0.01 . 1 . . . . 94 . . . 5319 1 817 . 1 1 95 95 GLN HG2 H 1 2.26 0.01 . 1 . . . . 94 . . . 5319 1 818 . 1 1 95 95 GLN HG3 H 1 2.41 0.01 . 1 . . . . 94 . . . 5319 1 819 . 1 1 95 95 GLN HE21 H 1 7.95 0.01 . 1 . . . . 94 . . . 5319 1 820 . 1 1 95 95 GLN HE22 H 1 6.90 0.01 . 1 . . . . 94 . . . 5319 1 821 . 1 1 95 95 GLN N N 15 123.1 0.1 . 1 . . . . 94 . . . 5319 1 822 . 1 1 95 95 GLN NE2 N 15 111.6 0.1 . 1 . . . . 94 . . . 5319 1 823 . 1 1 96 96 CYS H H 1 8.94 0.01 . 1 . . . . 95 . . . 5319 1 824 . 1 1 96 96 CYS HA H 1 4.72 0.01 . 1 . . . . 95 . . . 5319 1 825 . 1 1 96 96 CYS HB2 H 1 -0.01 0.01 . 1 . . . . 95 . . . 5319 1 826 . 1 1 96 96 CYS HB3 H 1 0.31 0.01 . 1 . . . . 95 . . . 5319 1 827 . 1 1 96 96 CYS HG H 1 0.25 0.01 . 1 . . . . 95 . . . 5319 1 828 . 1 1 96 96 CYS N N 15 123.5 0.1 . 1 . . . . 95 . . . 5319 1 829 . 1 1 97 97 VAL H H 1 8.24 0.01 . 1 . . . . 96 . . . 5319 1 830 . 1 1 97 97 VAL HA H 1 4.25 0.01 . 1 . . . . 96 . . . 5319 1 831 . 1 1 97 97 VAL HB H 1 1.91 0.01 . 1 . . . . 96 . . . 5319 1 832 . 1 1 97 97 VAL HG11 H 1 0.87 0.01 . 1 . . . . 96 . . . 5319 1 833 . 1 1 97 97 VAL HG12 H 1 0.87 0.01 . 1 . . . . 96 . . . 5319 1 834 . 1 1 97 97 VAL HG13 H 1 0.87 0.01 . 1 . . . . 96 . . . 5319 1 835 . 1 1 97 97 VAL HG21 H 1 0.92 0.01 . 1 . . . . 96 . . . 5319 1 836 . 1 1 97 97 VAL HG22 H 1 0.92 0.01 . 1 . . . . 96 . . . 5319 1 837 . 1 1 97 97 VAL HG23 H 1 0.92 0.01 . 1 . . . . 96 . . . 5319 1 838 . 1 1 97 97 VAL N N 15 130.6 0.1 . 1 . . . . 96 . . . 5319 1 839 . 1 1 98 98 GLN H H 1 8.14 0.01 . 1 . . . . 97 . . . 5319 1 840 . 1 1 98 98 GLN HA H 1 4.61 0.01 . 1 . . . . 97 . . . 5319 1 841 . 1 1 98 98 GLN HB2 H 1 1.78 0.01 . 1 . . . . 97 . . . 5319 1 842 . 1 1 98 98 GLN HB3 H 1 1.78 0.01 . 1 . . . . 97 . . . 5319 1 843 . 1 1 98 98 GLN HG2 H 1 2.42 0.01 . 1 . . . . 97 . . . 5319 1 844 . 1 1 98 98 GLN HG3 H 1 2.42 0.01 . 1 . . . . 97 . . . 5319 1 845 . 1 1 98 98 GLN HE21 H 1 9.17 0.01 . 1 . . . . 97 . . . 5319 1 846 . 1 1 98 98 GLN HE22 H 1 5.78 0.01 . 1 . . . . 97 . . . 5319 1 847 . 1 1 98 98 GLN N N 15 127.1 0.1 . 1 . . . . 97 . . . 5319 1 848 . 1 1 98 98 GLN NE2 N 15 113.7 0.1 . 1 . . . . 97 . . . 5319 1 849 . 1 1 99 99 LYS H H 1 8.48 0.01 . 1 . . . . 98 . . . 5319 1 850 . 1 1 99 99 LYS HA H 1 4.38 0.01 . 1 . . . . 98 . . . 5319 1 851 . 1 1 99 99 LYS HB2 H 1 2.07 0.01 . 1 . . . . 98 . . . 5319 1 852 . 1 1 99 99 LYS HB3 H 1 1.95 0.01 . 1 . . . . 98 . . . 5319 1 853 . 1 1 99 99 LYS HG2 H 1 1.35 0.01 . 1 . . . . 98 . . . 5319 1 854 . 1 1 99 99 LYS HG3 H 1 1.53 0.01 . 1 . . . . 98 . . . 5319 1 855 . 1 1 99 99 LYS HD2 H 1 1.67 0.01 . 1 . . . . 98 . . . 5319 1 856 . 1 1 99 99 LYS HD3 H 1 1.67 0.01 . 1 . . . . 98 . . . 5319 1 857 . 1 1 99 99 LYS HE2 H 1 2.95 0.01 . 1 . . . . 98 . . . 5319 1 858 . 1 1 99 99 LYS HE3 H 1 2.95 0.01 . 1 . . . . 98 . . . 5319 1 859 . 1 1 99 99 LYS N N 15 125.8 0.1 . 1 . . . . 98 . . . 5319 1 860 . 1 1 100 100 GLY H H 1 8.47 0.01 . 1 . . . . 99 . . . 5319 1 861 . 1 1 100 100 GLY HA2 H 1 4.23 0.01 . 1 . . . . 99 . . . 5319 1 862 . 1 1 100 100 GLY HA3 H 1 3.99 0.01 . 1 . . . . 99 . . . 5319 1 863 . 1 1 100 100 GLY N N 15 114.6 0.1 . 1 . . . . 99 . . . 5319 1 864 . 1 1 101 101 GLU H H 1 8.27 0.01 . 1 . . . . 100 . . . 5319 1 865 . 1 1 101 101 GLU HA H 1 4.00 0.01 . 1 . . . . 100 . . . 5319 1 866 . 1 1 101 101 GLU HB2 H 1 2.04 0.01 . 1 . . . . 100 . . . 5319 1 867 . 1 1 101 101 GLU HB3 H 1 1.88 0.01 . 1 . . . . 100 . . . 5319 1 868 . 1 1 101 101 GLU HG2 H 1 2.32 0.01 . 1 . . . . 100 . . . 5319 1 869 . 1 1 101 101 GLU HG3 H 1 2.19 0.01 . 1 . . . . 100 . . . 5319 1 870 . 1 1 101 101 GLU N N 15 121.3 0.1 . 1 . . . . 100 . . . 5319 1 871 . 1 1 102 102 LYS H H 1 7.46 0.01 . 1 . . . . 101 . . . 5319 1 872 . 1 1 102 102 LYS HA H 1 4.57 0.01 . 1 . . . . 101 . . . 5319 1 873 . 1 1 102 102 LYS HB2 H 1 1.78 0.01 . 1 . . . . 101 . . . 5319 1 874 . 1 1 102 102 LYS HB3 H 1 1.78 0.01 . 1 . . . . 101 . . . 5319 1 875 . 1 1 102 102 LYS HG2 H 1 1.36 0.01 . 1 . . . . 101 . . . 5319 1 876 . 1 1 102 102 LYS HG3 H 1 1.24 0.01 . 1 . . . . 101 . . . 5319 1 877 . 1 1 102 102 LYS HD2 H 1 1.49 0.01 . 1 . . . . 101 . . . 5319 1 878 . 1 1 102 102 LYS HD3 H 1 1.49 0.01 . 1 . . . . 101 . . . 5319 1 879 . 1 1 102 102 LYS HE2 H 1 2.88 0.01 . 1 . . . . 101 . . . 5319 1 880 . 1 1 102 102 LYS HE3 H 1 2.88 0.01 . 1 . . . . 101 . . . 5319 1 881 . 1 1 102 102 LYS N N 15 114.5 0.1 . 1 . . . . 101 . . . 5319 1 882 . 1 1 103 103 GLU H H 1 9.51 0.01 . 1 . . . . 102 . . . 5319 1 883 . 1 1 103 103 GLU HA H 1 4.24 0.01 . 1 . . . . 102 . . . 5319 1 884 . 1 1 103 103 GLU HB2 H 1 1.96 0.01 . 1 . . . . 102 . . . 5319 1 885 . 1 1 103 103 GLU HB3 H 1 1.96 0.01 . 1 . . . . 102 . . . 5319 1 886 . 1 1 103 103 GLU HG2 H 1 2.36 0.01 . 1 . . . . 102 . . . 5319 1 887 . 1 1 103 103 GLU HG3 H 1 2.28 0.01 . 1 . . . . 102 . . . 5319 1 888 . 1 1 103 103 GLU N N 15 127.3 0.1 . 1 . . . . 102 . . . 5319 1 889 . 1 1 104 104 GLY H H 1 8.94 0.01 . 1 . . . . 103 . . . 5319 1 890 . 1 1 104 104 GLY HA2 H 1 3.74 0.01 . 1 . . . . 103 . . . 5319 1 891 . 1 1 104 104 GLY HA3 H 1 3.74 0.01 . 1 . . . . 103 . . . 5319 1 892 . 1 1 104 104 GLY N N 15 110.5 0.1 . 1 . . . . 103 . . . 5319 1 893 . 1 1 105 105 ARG H H 1 8.19 0.01 . 1 . . . . 104 . . . 5319 1 894 . 1 1 105 105 ARG HA H 1 5.40 0.01 . 1 . . . . 104 . . . 5319 1 895 . 1 1 105 105 ARG HB2 H 1 2.43 0.01 . 1 . . . . 104 . . . 5319 1 896 . 1 1 105 105 ARG HB3 H 1 1.18 0.01 . 1 . . . . 104 . . . 5319 1 897 . 1 1 105 105 ARG HG2 H 1 1.68 0.01 . 1 . . . . 104 . . . 5319 1 898 . 1 1 105 105 ARG HG3 H 1 1.68 0.01 . 1 . . . . 104 . . . 5319 1 899 . 1 1 105 105 ARG HD2 H 1 3.04 0.01 . 1 . . . . 104 . . . 5319 1 900 . 1 1 105 105 ARG HD3 H 1 2.70 0.01 . 1 . . . . 104 . . . 5319 1 901 . 1 1 105 105 ARG HE H 1 5.02 0.01 . 1 . . . . 104 . . . 5319 1 902 . 1 1 105 105 ARG HH11 H 1 9.82 0.01 . 1 . . . . 104 . . . 5319 1 903 . 1 1 105 105 ARG HH12 H 1 6.74 0.01 . 1 . . . . 104 . . . 5319 1 904 . 1 1 105 105 ARG HH21 H 1 7.96 0.01 . 1 . . . . 104 . . . 5319 1 905 . 1 1 105 105 ARG HH22 H 1 7.42 0.01 . 1 . . . . 104 . . . 5319 1 906 . 1 1 105 105 ARG N N 15 123.0 0.1 . 1 . . . . 104 . . . 5319 1 907 . 1 1 105 105 ARG NE N 15 79.6 0.1 . 1 . . . . 104 . . . 5319 1 908 . 1 1 105 105 ARG NH1 N 15 77.8 0.1 . 1 . . . . 104 . . . 5319 1 909 . 1 1 105 105 ARG NH2 N 15 77.4 0.1 . 1 . . . . 104 . . . 5319 1 910 . 1 1 106 106 GLY H H 1 8.91 0.01 . 1 . . . . 105 . . . 5319 1 911 . 1 1 106 106 GLY HA2 H 1 4.69 0.01 . 1 . . . . 105 . . . 5319 1 912 . 1 1 106 106 GLY HA3 H 1 4.02 0.01 . 1 . . . . 105 . . . 5319 1 913 . 1 1 106 106 GLY N N 15 116.9 0.1 . 1 . . . . 105 . . . 5319 1 914 . 1 1 107 107 TRP H H 1 8.62 0.01 . 1 . . . . 106 . . . 5319 1 915 . 1 1 107 107 TRP HA H 1 5.62 0.01 . 1 . . . . 106 . . . 5319 1 916 . 1 1 107 107 TRP HB2 H 1 3.43 0.01 . 1 . . . . 106 . . . 5319 1 917 . 1 1 107 107 TRP HB3 H 1 3.85 0.01 . 1 . . . . 106 . . . 5319 1 918 . 1 1 107 107 TRP HD1 H 1 6.87 0.01 . 1 . . . . 106 . . . 5319 1 919 . 1 1 107 107 TRP HE1 H 1 9.77 0.01 . 1 . . . . 106 . . . 5319 1 920 . 1 1 107 107 TRP HE3 H 1 7.01 0.01 . 1 . . . . 106 . . . 5319 1 921 . 1 1 107 107 TRP HZ2 H 1 6.71 0.01 . 1 . . . . 106 . . . 5319 1 922 . 1 1 107 107 TRP HZ3 H 1 6.42 0.01 . 1 . . . . 106 . . . 5319 1 923 . 1 1 107 107 TRP HH2 H 1 6.47 0.01 . 1 . . . . 106 . . . 5319 1 924 . 1 1 107 107 TRP N N 15 116.9 0.1 . 1 . . . . 106 . . . 5319 1 925 . 1 1 107 107 TRP NE1 N 15 132.4 0.1 . 1 . . . . 106 . . . 5319 1 926 . 1 1 108 108 THR H H 1 9.55 0.01 . 1 . . . . 107 . . . 5319 1 927 . 1 1 108 108 THR HA H 1 5.65 0.01 . 1 . . . . 107 . . . 5319 1 928 . 1 1 108 108 THR HB H 1 4.14 0.01 . 1 . . . . 107 . . . 5319 1 929 . 1 1 108 108 THR HG1 H 1 6.29 0.01 . 1 . . . . 107 . . . 5319 1 930 . 1 1 108 108 THR HG21 H 1 1.50 0.01 . 1 . . . . 107 . . . 5319 1 931 . 1 1 108 108 THR HG22 H 1 1.50 0.01 . 1 . . . . 107 . . . 5319 1 932 . 1 1 108 108 THR HG23 H 1 1.50 0.01 . 1 . . . . 107 . . . 5319 1 933 . 1 1 108 108 THR N N 15 116.8 0.1 . 1 . . . . 107 . . . 5319 1 934 . 1 1 109 109 GLN H H 1 10.02 0.01 . 1 . . . . 108 . . . 5319 1 935 . 1 1 109 109 GLN HA H 1 6.08 0.01 . 1 . . . . 108 . . . 5319 1 936 . 1 1 109 109 GLN HB2 H 1 1.96 0.01 . 1 . . . . 108 . . . 5319 1 937 . 1 1 109 109 GLN HB3 H 1 2.07 0.01 . 1 . . . . 108 . . . 5319 1 938 . 1 1 109 109 GLN HG2 H 1 2.13 0.01 . 1 . . . . 108 . . . 5319 1 939 . 1 1 109 109 GLN HG3 H 1 2.13 0.01 . 1 . . . . 108 . . . 5319 1 940 . 1 1 109 109 GLN HE21 H 1 3.69 0.01 . 1 . . . . 108 . . . 5319 1 941 . 1 1 109 109 GLN HE22 H 1 3.85 0.01 . 1 . . . . 108 . . . 5319 1 942 . 1 1 109 109 GLN N N 15 128.1 0.1 . 1 . . . . 108 . . . 5319 1 943 . 1 1 109 109 GLN NE2 N 15 98.7 0.1 . 1 . . . . 108 . . . 5319 1 944 . 1 1 110 110 TRP H H 1 9.55 0.01 . 1 . . . . 109 . . . 5319 1 945 . 1 1 110 110 TRP HA H 1 5.46 0.01 . 1 . . . . 109 . . . 5319 1 946 . 1 1 110 110 TRP HB2 H 1 3.79 0.01 . 1 . . . . 109 . . . 5319 1 947 . 1 1 110 110 TRP HB3 H 1 3.58 0.01 . 1 . . . . 109 . . . 5319 1 948 . 1 1 110 110 TRP HD1 H 1 7.05 0.01 . 1 . . . . 109 . . . 5319 1 949 . 1 1 110 110 TRP HE1 H 1 11.25 0.01 . 1 . . . . 109 . . . 5319 1 950 . 1 1 110 110 TRP HE3 H 1 7.24 0.01 . 1 . . . . 109 . . . 5319 1 951 . 1 1 110 110 TRP HZ2 H 1 7.41 0.01 . 1 . . . . 109 . . . 5319 1 952 . 1 1 110 110 TRP HZ3 H 1 6.92 0.01 . 1 . . . . 109 . . . 5319 1 953 . 1 1 110 110 TRP HH2 H 1 7.24 0.01 . 1 . . . . 109 . . . 5319 1 954 . 1 1 110 110 TRP N N 15 126.2 0.1 . 1 . . . . 109 . . . 5319 1 955 . 1 1 110 110 TRP NE1 N 15 133.9 0.1 . 1 . . . . 109 . . . 5319 1 956 . 1 1 111 111 ILE H H 1 9.42 0.01 . 1 . . . . 110 . . . 5319 1 957 . 1 1 111 111 ILE HA H 1 5.15 0.01 . 1 . . . . 110 . . . 5319 1 958 . 1 1 111 111 ILE HB H 1 1.59 0.01 . 1 . . . . 110 . . . 5319 1 959 . 1 1 111 111 ILE HG12 H 1 1.36 0.01 . 1 . . . . 110 . . . 5319 1 960 . 1 1 111 111 ILE HG13 H 1 1.36 0.01 . 1 . . . . 110 . . . 5319 1 961 . 1 1 111 111 ILE HG21 H 1 0.96 0.01 . 1 . . . . 110 . . . 5319 1 962 . 1 1 111 111 ILE HG22 H 1 0.96 0.01 . 1 . . . . 110 . . . 5319 1 963 . 1 1 111 111 ILE HG23 H 1 0.96 0.01 . 1 . . . . 110 . . . 5319 1 964 . 1 1 111 111 ILE HD11 H 1 0.61 0.01 . 1 . . . . 110 . . . 5319 1 965 . 1 1 111 111 ILE HD12 H 1 0.61 0.01 . 1 . . . . 110 . . . 5319 1 966 . 1 1 111 111 ILE HD13 H 1 0.61 0.01 . 1 . . . . 110 . . . 5319 1 967 . 1 1 111 111 ILE N N 15 121.1 0.1 . 1 . . . . 110 . . . 5319 1 968 . 1 1 112 112 GLU H H 1 9.08 0.01 . 1 . . . . 111 . . . 5319 1 969 . 1 1 112 112 GLU HA H 1 4.69 0.01 . 1 . . . . 111 . . . 5319 1 970 . 1 1 112 112 GLU HB2 H 1 2.00 0.01 . 1 . . . . 111 . . . 5319 1 971 . 1 1 112 112 GLU HB3 H 1 1.93 0.01 . 1 . . . . 111 . . . 5319 1 972 . 1 1 112 112 GLU HG2 H 1 2.29 0.01 . 1 . . . . 111 . . . 5319 1 973 . 1 1 112 112 GLU HG3 H 1 2.09 0.01 . 1 . . . . 111 . . . 5319 1 974 . 1 1 112 112 GLU N N 15 126.6 0.1 . 1 . . . . 111 . . . 5319 1 975 . 1 1 113 113 GLY H H 1 9.26 0.01 . 1 . . . . 112 . . . 5319 1 976 . 1 1 113 113 GLY HA2 H 1 3.73 0.01 . 1 . . . . 112 . . . 5319 1 977 . 1 1 113 113 GLY HA3 H 1 4.11 0.01 . 1 . . . . 112 . . . 5319 1 978 . 1 1 113 113 GLY N N 15 117.1 0.1 . 1 . . . . 112 . . . 5319 1 979 . 1 1 114 114 ASP H H 1 8.58 0.01 . 1 . . . . 113 . . . 5319 1 980 . 1 1 114 114 ASP HA H 1 4.86 0.01 . 1 . . . . 113 . . . 5319 1 981 . 1 1 114 114 ASP HB2 H 1 3.05 0.01 . 1 . . . . 113 . . . 5319 1 982 . 1 1 114 114 ASP HB3 H 1 2.77 0.01 . 1 . . . . 113 . . . 5319 1 983 . 1 1 114 114 ASP N N 15 127.3 0.1 . 1 . . . . 113 . . . 5319 1 984 . 1 1 115 115 GLU H H 1 8.44 0.01 . 1 . . . . 114 . . . 5319 1 985 . 1 1 115 115 GLU HA H 1 5.56 0.01 . 1 . . . . 114 . . . 5319 1 986 . 1 1 115 115 GLU HB2 H 1 1.76 0.01 . 1 . . . . 114 . . . 5319 1 987 . 1 1 115 115 GLU HB3 H 1 2.07 0.01 . 1 . . . . 114 . . . 5319 1 988 . 1 1 115 115 GLU HG2 H 1 2.64 0.01 . 1 . . . . 114 . . . 5319 1 989 . 1 1 115 115 GLU HG3 H 1 2.55 0.01 . 1 . . . . 114 . . . 5319 1 990 . 1 1 115 115 GLU N N 15 117.5 0.1 . 1 . . . . 114 . . . 5319 1 991 . 1 1 116 116 LEU H H 1 8.94 0.01 . 1 . . . . 115 . . . 5319 1 992 . 1 1 116 116 LEU HA H 1 4.45 0.01 . 1 . . . . 115 . . . 5319 1 993 . 1 1 116 116 LEU HB2 H 1 1.02 0.01 . 1 . . . . 115 . . . 5319 1 994 . 1 1 116 116 LEU HB3 H 1 1.02 0.01 . 1 . . . . 115 . . . 5319 1 995 . 1 1 116 116 LEU HG H 1 0.74 0.01 . 1 . . . . 115 . . . 5319 1 996 . 1 1 116 116 LEU HD11 H 1 -0.16 0.01 . 1 . . . . 115 . . . 5319 1 997 . 1 1 116 116 LEU HD12 H 1 -0.16 0.01 . 1 . . . . 115 . . . 5319 1 998 . 1 1 116 116 LEU HD13 H 1 -0.16 0.01 . 1 . . . . 115 . . . 5319 1 999 . 1 1 116 116 LEU HD21 H 1 -0.41 0.01 . 1 . . . . 115 . . . 5319 1 1000 . 1 1 116 116 LEU HD22 H 1 -0.41 0.01 . 1 . . . . 115 . . . 5319 1 1001 . 1 1 116 116 LEU HD23 H 1 -0.41 0.01 . 1 . . . . 115 . . . 5319 1 1002 . 1 1 116 116 LEU N N 15 126.3 0.1 . 1 . . . . 115 . . . 5319 1 1003 . 1 1 117 117 HIS H H 1 9.31 0.01 . 1 . . . . 116 . . . 5319 1 1004 . 1 1 117 117 HIS HA H 1 4.31 0.01 . 1 . . . . 116 . . . 5319 1 1005 . 1 1 117 117 HIS HB2 H 1 0.98 0.01 . 1 . . . . 116 . . . 5319 1 1006 . 1 1 117 117 HIS HB3 H 1 0.55 0.01 . 1 . . . . 116 . . . 5319 1 1007 . 1 1 117 117 HIS HD2 H 1 6.65 0.01 . 1 . . . . 116 . . . 5319 1 1008 . 1 1 117 117 HIS HE1 H 1 8.05 0.01 . 1 . . . . 116 . . . 5319 1 1009 . 1 1 117 117 HIS N N 15 127.6 0.1 . 1 . . . . 116 . . . 5319 1 1010 . 1 1 118 118 LEU H H 1 8.58 0.01 . 1 . . . . 117 . . . 5319 1 1011 . 1 1 118 118 LEU HA H 1 5.27 0.01 . 1 . . . . 117 . . . 5319 1 1012 . 1 1 118 118 LEU HB2 H 1 1.74 0.01 . 1 . . . . 117 . . . 5319 1 1013 . 1 1 118 118 LEU HB3 H 1 0.94 0.01 . 1 . . . . 117 . . . 5319 1 1014 . 1 1 118 118 LEU HG H 1 1.20 0.01 . 1 . . . . 117 . . . 5319 1 1015 . 1 1 118 118 LEU HD11 H 1 0.70 0.01 . 1 . . . . 117 . . . 5319 1 1016 . 1 1 118 118 LEU HD12 H 1 0.70 0.01 . 1 . . . . 117 . . . 5319 1 1017 . 1 1 118 118 LEU HD13 H 1 0.70 0.01 . 1 . . . . 117 . . . 5319 1 1018 . 1 1 118 118 LEU HD21 H 1 0.50 0.01 . 1 . . . . 117 . . . 5319 1 1019 . 1 1 118 118 LEU HD22 H 1 0.50 0.01 . 1 . . . . 117 . . . 5319 1 1020 . 1 1 118 118 LEU HD23 H 1 0.50 0.01 . 1 . . . . 117 . . . 5319 1 1021 . 1 1 118 118 LEU N N 15 123.0 0.1 . 1 . . . . 117 . . . 5319 1 1022 . 1 1 119 119 GLU H H 1 9.46 0.01 . 1 . . . . 118 . . . 5319 1 1023 . 1 1 119 119 GLU HA H 1 5.43 0.01 . 1 . . . . 118 . . . 5319 1 1024 . 1 1 119 119 GLU HB2 H 1 2.22 0.01 . 1 . . . . 118 . . . 5319 1 1025 . 1 1 119 119 GLU HB3 H 1 2.17 0.01 . 1 . . . . 118 . . . 5319 1 1026 . 1 1 119 119 GLU HG2 H 1 2.48 0.01 . 1 . . . . 118 . . . 5319 1 1027 . 1 1 119 119 GLU HG3 H 1 2.48 0.01 . 1 . . . . 118 . . . 5319 1 1028 . 1 1 119 119 GLU N N 15 127.8 0.1 . 1 . . . . 118 . . . 5319 1 1029 . 1 1 120 120 MET H H 1 9.41 0.01 . 1 . . . . 119 . . . 5319 1 1030 . 1 1 120 120 MET HA H 1 5.12 0.01 . 1 . . . . 119 . . . 5319 1 1031 . 1 1 120 120 MET HB2 H 1 2.00 0.01 . 1 . . . . 119 . . . 5319 1 1032 . 1 1 120 120 MET HB3 H 1 1.32 0.01 . 1 . . . . 119 . . . 5319 1 1033 . 1 1 120 120 MET HG2 H 1 2.12 0.01 . 1 . . . . 119 . . . 5319 1 1034 . 1 1 120 120 MET HG3 H 1 1.72 0.01 . 1 . . . . 119 . . . 5319 1 1035 . 1 1 120 120 MET HE1 H 1 1.61 0.01 . 1 . . . . 119 . . . 5319 1 1036 . 1 1 120 120 MET HE2 H 1 1.61 0.01 . 1 . . . . 119 . . . 5319 1 1037 . 1 1 120 120 MET HE3 H 1 1.61 0.01 . 1 . . . . 119 . . . 5319 1 1038 . 1 1 120 120 MET N N 15 123.1 0.1 . 1 . . . . 119 . . . 5319 1 1039 . 1 1 121 121 ARG H H 1 9.14 0.01 . 1 . . . . 120 . . . 5319 1 1040 . 1 1 121 121 ARG HA H 1 6.01 0.01 . 1 . . . . 120 . . . 5319 1 1041 . 1 1 121 121 ARG HB2 H 1 1.73 0.01 . 1 . . . . 120 . . . 5319 1 1042 . 1 1 121 121 ARG HB3 H 1 1.86 0.01 . 1 . . . . 120 . . . 5319 1 1043 . 1 1 121 121 ARG HG2 H 1 1.66 0.01 . 1 . . . . 120 . . . 5319 1 1044 . 1 1 121 121 ARG HG3 H 1 1.57 0.01 . 1 . . . . 120 . . . 5319 1 1045 . 1 1 121 121 ARG HD2 H 1 3.04 0.01 . 1 . . . . 120 . . . 5319 1 1046 . 1 1 121 121 ARG HD3 H 1 3.31 0.01 . 1 . . . . 120 . . . 5319 1 1047 . 1 1 121 121 ARG HE H 1 7.61 0.01 . 1 . . . . 120 . . . 5319 1 1048 . 1 1 121 121 ARG N N 15 120.2 0.1 . 1 . . . . 120 . . . 5319 1 1049 . 1 1 121 121 ARG NE N 15 83.6 0.1 . 1 . . . . 120 . . . 5319 1 1050 . 1 1 122 122 ALA H H 1 8.55 0.01 . 1 . . . . 121 . . . 5319 1 1051 . 1 1 122 122 ALA HA H 1 4.20 0.01 . 1 . . . . 121 . . . 5319 1 1052 . 1 1 122 122 ALA HB1 H 1 1.22 0.01 . 1 . . . . 121 . . . 5319 1 1053 . 1 1 122 122 ALA HB2 H 1 1.22 0.01 . 1 . . . . 121 . . . 5319 1 1054 . 1 1 122 122 ALA HB3 H 1 1.22 0.01 . 1 . . . . 121 . . . 5319 1 1055 . 1 1 122 122 ALA N N 15 119.4 0.1 . 1 . . . . 121 . . . 5319 1 1056 . 1 1 123 123 GLU H H 1 8.94 0.01 . 1 . . . . 122 . . . 5319 1 1057 . 1 1 123 123 GLU HA H 1 3.75 0.01 . 1 . . . . 122 . . . 5319 1 1058 . 1 1 123 123 GLU HB2 H 1 1.87 0.01 . 1 . . . . 122 . . . 5319 1 1059 . 1 1 123 123 GLU HB3 H 1 1.87 0.01 . 1 . . . . 122 . . . 5319 1 1060 . 1 1 123 123 GLU HG2 H 1 2.36 0.01 . 1 . . . . 122 . . . 5319 1 1061 . 1 1 123 123 GLU HG3 H 1 2.43 0.01 . 1 . . . . 122 . . . 5319 1 1062 . 1 1 123 123 GLU N N 15 118.2 0.1 . 1 . . . . 122 . . . 5319 1 1063 . 1 1 124 124 GLY H H 1 8.94 0.01 . 1 . . . . 123 . . . 5319 1 1064 . 1 1 124 124 GLY HA2 H 1 4.18 0.01 . 1 . . . . 123 . . . 5319 1 1065 . 1 1 124 124 GLY HA3 H 1 3.59 0.01 . 1 . . . . 123 . . . 5319 1 1066 . 1 1 124 124 GLY N N 15 104.8 0.1 . 1 . . . . 123 . . . 5319 1 1067 . 1 1 125 125 VAL H H 1 8.44 0.01 . 1 . . . . 124 . . . 5319 1 1068 . 1 1 125 125 VAL HA H 1 4.21 0.01 . 1 . . . . 124 . . . 5319 1 1069 . 1 1 125 125 VAL HB H 1 2.31 0.01 . 1 . . . . 124 . . . 5319 1 1070 . 1 1 125 125 VAL HG11 H 1 0.89 0.01 . 1 . . . . 124 . . . 5319 1 1071 . 1 1 125 125 VAL HG12 H 1 0.89 0.01 . 1 . . . . 124 . . . 5319 1 1072 . 1 1 125 125 VAL HG13 H 1 0.89 0.01 . 1 . . . . 124 . . . 5319 1 1073 . 1 1 125 125 VAL HG21 H 1 0.98 0.01 . 1 . . . . 124 . . . 5319 1 1074 . 1 1 125 125 VAL HG22 H 1 0.98 0.01 . 1 . . . . 124 . . . 5319 1 1075 . 1 1 125 125 VAL HG23 H 1 0.98 0.01 . 1 . . . . 124 . . . 5319 1 1076 . 1 1 125 125 VAL N N 15 124.9 0.1 . 1 . . . . 124 . . . 5319 1 1077 . 1 1 126 126 THR H H 1 8.59 0.01 . 1 . . . . 125 . . . 5319 1 1078 . 1 1 126 126 THR HA H 1 5.36 0.01 . 1 . . . . 125 . . . 5319 1 1079 . 1 1 126 126 THR HB H 1 3.92 0.01 . 1 . . . . 125 . . . 5319 1 1080 . 1 1 126 126 THR HG21 H 1 1.12 0.01 . 1 . . . . 125 . . . 5319 1 1081 . 1 1 126 126 THR HG22 H 1 1.12 0.01 . 1 . . . . 125 . . . 5319 1 1082 . 1 1 126 126 THR HG23 H 1 1.12 0.01 . 1 . . . . 125 . . . 5319 1 1083 . 1 1 126 126 THR N N 15 121.1 0.1 . 1 . . . . 125 . . . 5319 1 1084 . 1 1 127 127 CYS H H 1 9.64 0.01 . 1 . . . . 126 . . . 5319 1 1085 . 1 1 127 127 CYS HA H 1 5.20 0.01 . 1 . . . . 126 . . . 5319 1 1086 . 1 1 127 127 CYS HB2 H 1 3.15 0.01 . 1 . . . . 126 . . . 5319 1 1087 . 1 1 127 127 CYS HB3 H 1 1.90 0.01 . 1 . . . . 126 . . . 5319 1 1088 . 1 1 127 127 CYS HG H 1 2.42 0.01 . 1 . . . . 126 . . . 5319 1 1089 . 1 1 127 127 CYS N N 15 128.1 0.1 . 1 . . . . 126 . . . 5319 1 1090 . 1 1 128 128 LYS H H 1 8.28 0.01 . 1 . . . . 127 . . . 5319 1 1091 . 1 1 128 128 LYS HA H 1 5.42 0.01 . 1 . . . . 127 . . . 5319 1 1092 . 1 1 128 128 LYS HB2 H 1 1.91 0.01 . 1 . . . . 127 . . . 5319 1 1093 . 1 1 128 128 LYS HB3 H 1 1.72 0.01 . 1 . . . . 127 . . . 5319 1 1094 . 1 1 128 128 LYS HG2 H 1 1.13 0.01 . 1 . . . . 127 . . . 5319 1 1095 . 1 1 128 128 LYS HG3 H 1 1.13 0.01 . 1 . . . . 127 . . . 5319 1 1096 . 1 1 128 128 LYS HD2 H 1 1.85 0.01 . 1 . . . . 127 . . . 5319 1 1097 . 1 1 128 128 LYS HD3 H 1 1.85 0.01 . 1 . . . . 127 . . . 5319 1 1098 . 1 1 128 128 LYS HE2 H 1 2.76 0.01 . 1 . . . . 127 . . . 5319 1 1099 . 1 1 128 128 LYS HE3 H 1 2.76 0.01 . 1 . . . . 127 . . . 5319 1 1100 . 1 1 128 128 LYS N N 15 128.2 0.1 . 1 . . . . 127 . . . 5319 1 1101 . 1 1 129 129 GLN H H 1 9.61 0.01 . 1 . . . . 128 . . . 5319 1 1102 . 1 1 129 129 GLN HA H 1 4.85 0.01 . 1 . . . . 128 . . . 5319 1 1103 . 1 1 129 129 GLN HB2 H 1 1.89 0.01 . 1 . . . . 128 . . . 5319 1 1104 . 1 1 129 129 GLN HB3 H 1 1.89 0.01 . 1 . . . . 128 . . . 5319 1 1105 . 1 1 129 129 GLN HG2 H 1 2.17 0.01 . 1 . . . . 128 . . . 5319 1 1106 . 1 1 129 129 GLN HG3 H 1 2.29 0.01 . 1 . . . . 128 . . . 5319 1 1107 . 1 1 129 129 GLN HE21 H 1 6.27 0.01 . 1 . . . . 128 . . . 5319 1 1108 . 1 1 129 129 GLN HE22 H 1 4.91 0.01 . 1 . . . . 128 . . . 5319 1 1109 . 1 1 129 129 GLN N N 15 127.6 0.1 . 1 . . . . 128 . . . 5319 1 1110 . 1 1 129 129 GLN NE2 N 15 105.4 0.1 . 1 . . . . 128 . . . 5319 1 1111 . 1 1 130 130 VAL H H 1 7.49 0.01 . 1 . . . . 129 . . . 5319 1 1112 . 1 1 130 130 VAL HA H 1 4.69 0.01 . 1 . . . . 129 . . . 5319 1 1113 . 1 1 130 130 VAL HB H 1 1.59 0.01 . 1 . . . . 129 . . . 5319 1 1114 . 1 1 130 130 VAL HG11 H 1 0.38 0.01 . 1 . . . . 129 . . . 5319 1 1115 . 1 1 130 130 VAL HG12 H 1 0.38 0.01 . 1 . . . . 129 . . . 5319 1 1116 . 1 1 130 130 VAL HG13 H 1 0.38 0.01 . 1 . . . . 129 . . . 5319 1 1117 . 1 1 130 130 VAL HG21 H 1 0.34 0.01 . 1 . . . . 129 . . . 5319 1 1118 . 1 1 130 130 VAL HG22 H 1 0.34 0.01 . 1 . . . . 129 . . . 5319 1 1119 . 1 1 130 130 VAL HG23 H 1 0.34 0.01 . 1 . . . . 129 . . . 5319 1 1120 . 1 1 130 130 VAL N N 15 120.0 0.1 . 1 . . . . 129 . . . 5319 1 1121 . 1 1 131 131 PHE H H 1 9.40 0.01 . 1 . . . . 130 . . . 5319 1 1122 . 1 1 131 131 PHE HA H 1 5.17 0.01 . 1 . . . . 130 . . . 5319 1 1123 . 1 1 131 131 PHE HB2 H 1 2.86 0.01 . 1 . . . . 130 . . . 5319 1 1124 . 1 1 131 131 PHE HB3 H 1 2.81 0.01 . 1 . . . . 130 . . . 5319 1 1125 . 1 1 131 131 PHE HD1 H 1 6.87 0.01 . 1 . . . . 130 . . . 5319 1 1126 . 1 1 131 131 PHE HD2 H 1 6.87 0.01 . 1 . . . . 130 . . . 5319 1 1127 . 1 1 131 131 PHE HE1 H 1 7.16 0.01 . 1 . . . . 130 . . . 5319 1 1128 . 1 1 131 131 PHE HE2 H 1 7.16 0.01 . 1 . . . . 130 . . . 5319 1 1129 . 1 1 131 131 PHE HZ H 1 7.10 0.01 . 9 . . . . 130 . . . 5319 1 1130 . 1 1 131 131 PHE N N 15 125.5 0.1 . 1 . . . . 130 . . . 5319 1 1131 . 1 1 132 132 LYS H H 1 9.78 0.01 . 1 . . . . 131 . . . 5319 1 1132 . 1 1 132 132 LYS HA H 1 5.33 0.01 . 1 . . . . 131 . . . 5319 1 1133 . 1 1 132 132 LYS HB2 H 1 1.73 0.01 . 1 . . . . 131 . . . 5319 1 1134 . 1 1 132 132 LYS HB3 H 1 2.00 0.01 . 1 . . . . 131 . . . 5319 1 1135 . 1 1 132 132 LYS HG2 H 1 1.56 0.01 . 1 . . . . 131 . . . 5319 1 1136 . 1 1 132 132 LYS HG3 H 1 1.56 0.01 . 1 . . . . 131 . . . 5319 1 1137 . 1 1 132 132 LYS HD2 H 1 1.88 0.01 . 1 . . . . 131 . . . 5319 1 1138 . 1 1 132 132 LYS HD3 H 1 1.88 0.01 . 1 . . . . 131 . . . 5319 1 1139 . 1 1 132 132 LYS HE2 H 1 3.05 0.01 . 1 . . . . 131 . . . 5319 1 1140 . 1 1 132 132 LYS HE3 H 1 3.05 0.01 . 1 . . . . 131 . . . 5319 1 1141 . 1 1 132 132 LYS N N 15 123.8 0.1 . 1 . . . . 131 . . . 5319 1 1142 . 1 1 133 133 LYS H H 1 8.96 0.01 . 1 . . . . 132 . . . 5319 1 1143 . 1 1 133 133 LYS HA H 1 3.64 0.01 . 1 . . . . 132 . . . 5319 1 1144 . 1 1 133 133 LYS HB2 H 1 1.36 0.01 . 1 . . . . 132 . . . 5319 1 1145 . 1 1 133 133 LYS HB3 H 1 1.36 0.01 . 1 . . . . 132 . . . 5319 1 1146 . 1 1 133 133 LYS HG2 H 1 0.77 0.01 . 1 . . . . 132 . . . 5319 1 1147 . 1 1 133 133 LYS HG3 H 1 -0.17 0.01 . 1 . . . . 132 . . . 5319 1 1148 . 1 1 133 133 LYS HD2 H 1 1.16 0.01 . 1 . . . . 132 . . . 5319 1 1149 . 1 1 133 133 LYS HD3 H 1 1.16 0.01 . 1 . . . . 132 . . . 5319 1 1150 . 1 1 133 133 LYS HE2 H 1 2.52 0.01 . 1 . . . . 132 . . . 5319 1 1151 . 1 1 133 133 LYS HE3 H 1 2.52 0.01 . 1 . . . . 132 . . . 5319 1 1152 . 1 1 133 133 LYS N N 15 129.5 0.1 . 1 . . . . 132 . . . 5319 1 1153 . 1 1 134 134 VAL H H 1 8.90 0.01 . 1 . . . . 133 . . . 5319 1 1154 . 1 1 134 134 VAL HA H 1 4.14 0.01 . 1 . . . . 133 . . . 5319 1 1155 . 1 1 134 134 VAL HB H 1 2.01 0.01 . 1 . . . . 133 . . . 5319 1 1156 . 1 1 134 134 VAL HG11 H 1 1.05 0.01 . 1 . . . . 133 . . . 5319 1 1157 . 1 1 134 134 VAL HG12 H 1 1.05 0.01 . 1 . . . . 133 . . . 5319 1 1158 . 1 1 134 134 VAL HG13 H 1 1.05 0.01 . 1 . . . . 133 . . . 5319 1 1159 . 1 1 134 134 VAL HG21 H 1 0.89 0.01 . 1 . . . . 133 . . . 5319 1 1160 . 1 1 134 134 VAL HG22 H 1 0.89 0.01 . 1 . . . . 133 . . . 5319 1 1161 . 1 1 134 134 VAL HG23 H 1 0.89 0.01 . 1 . . . . 133 . . . 5319 1 1162 . 1 1 134 134 VAL N N 15 126.4 0.1 . 1 . . . . 133 . . . 5319 1 1163 . 1 1 135 135 HIS H H 1 7.97 0.01 . 1 . . . . 134 . . . 5319 1 1164 . 1 1 135 135 HIS HA H 1 4.36 0.01 . 1 . . . . 134 . . . 5319 1 1165 . 1 1 135 135 HIS HB2 H 1 3.22 0.01 . 1 . . . . 134 . . . 5319 1 1166 . 1 1 135 135 HIS HB3 H 1 3.11 0.01 . 1 . . . . 134 . . . 5319 1 1167 . 1 1 135 135 HIS HD2 H 1 7.11 0.01 . 1 . . . . 134 . . . 5319 1 1168 . 1 1 135 135 HIS HE1 H 1 8.44 0.01 . 1 . . . . 134 . . . 5319 1 1169 . 1 1 135 135 HIS N N 15 125.6 0.1 . 1 . . . . 134 . . . 5319 1 stop_ save_ save_shift_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_2 _Assigned_chem_shift_list.Entry_ID 5319 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5319 2 . . 2 $sample_2 . 5319 2 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 . 2 2 1 1 RTL H21 H 1 1.49 0.01 . 1 . . . . . . . . 5319 2 2 . 2 2 1 1 RTL H22 H 1 1.73 0.01 . 1 . . . . . . . . 5319 2 3 . 2 2 1 1 RTL H31 H 1 2.07 0.01 . 9 . . . . . . . . 5319 2 4 . 2 2 1 1 RTL H32 H 1 1.72 0.01 . 2 . . . . . . . . 5319 2 5 . 2 2 1 1 RTL H41 H 1 2.40 0.01 . 1 . . . . . . . . 5319 2 6 . 2 2 1 1 RTL H42 H 1 2.01 0.01 . 1 . . . . . . . . 5319 2 7 . 2 2 1 1 RTL H7 H 1 6.63 0.01 . 1 . . . . . . . . 5319 2 8 . 2 2 1 1 RTL H8 H 1 6.38 0.01 . 1 . . . . . . . . 5319 2 9 . 2 2 1 1 RTL H10 H 1 6.07 0.01 . 1 . . . . . . . . 5319 2 10 . 2 2 1 1 RTL H11 H 1 6.69 0.01 . 1 . . . . . . . . 5319 2 11 . 2 2 1 1 RTL H12 H 1 6.41 0.01 . 1 . . . . . . . . 5319 2 12 . 2 2 1 1 RTL H14 H 1 5.26 0.01 . 1 . . . . . . . . 5319 2 13 . 2 2 1 1 RTL H151 H 1 3.00 0.01 . 1 . . . . . . . . 5319 2 14 . 2 2 1 1 RTL H152 H 1 2.17 0.01 . 1 . . . . . . . . 5319 2 15 . 2 2 1 1 RTL H161 H 1 1.15 0.01 . 1 . . . . . . . . 5319 2 16 . 2 2 1 1 RTL H162 H 1 1.15 0.01 . 1 . . . . . . . . 5319 2 17 . 2 2 1 1 RTL H163 H 1 1.15 0.01 . 1 . . . . . . . . 5319 2 18 . 2 2 1 1 RTL H171 H 1 1.12 0.01 . 1 . . . . . . . . 5319 2 19 . 2 2 1 1 RTL H172 H 1 1.12 0.01 . 1 . . . . . . . . 5319 2 20 . 2 2 1 1 RTL H173 H 1 1.12 0.01 . 1 . . . . . . . . 5319 2 21 . 2 2 1 1 RTL H181 H 1 1.72 0.01 . 1 . . . . . . . . 5319 2 22 . 2 2 1 1 RTL H182 H 1 1.72 0.01 . 1 . . . . . . . . 5319 2 23 . 2 2 1 1 RTL H183 H 1 1.72 0.01 . 1 . . . . . . . . 5319 2 24 . 2 2 1 1 RTL H191 H 1 2.07 0.01 . 1 . . . . . . . . 5319 2 25 . 2 2 1 1 RTL H192 H 1 2.07 0.01 . 1 . . . . . . . . 5319 2 26 . 2 2 1 1 RTL H193 H 1 2.07 0.01 . 1 . . . . . . . . 5319 2 27 . 2 2 1 1 RTL H201 H 1 0.91 0.01 . 1 . . . . . . . . 5319 2 28 . 2 2 1 1 RTL H202 H 1 0.91 0.01 . 1 . . . . . . . . 5319 2 29 . 2 2 1 1 RTL H203 H 1 0.91 0.01 . 1 . . . . . . . . 5319 2 stop_ save_