data_5578 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5578 _Entry.Title ; Two Homologous Rat Cellular Retinol-binding Proteins Differ in Local Conformational Flexibility ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-11-06 _Entry.Accession_date 2002-11-06 _Entry.Last_release_date 2003-07-25 _Entry.Original_release_date 2003-07-25 _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 Jianyun Lu . . . 5578 2 David Cistola . P . 5578 3 Ellen Li . . . 5578 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5578 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 969 5578 '13C chemical shifts' 550 5578 '15N chemical shifts' 148 5578 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 . . 2003-07-25 2002-11-06 original author . 5578 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5579 'Apo form.' 5578 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5578 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22734647 _Citation.DOI . _Citation.PubMed_ID 12850148 _Citation.Full_citation . _Citation.Title ; Two Homologous Rat Cellular Retinol-binding Proteins Differ in Local Conformational Flexibility ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 330 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 799 _Citation.Page_last 812 _Citation.Year 2003 _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 Jianyun Lu . . . 5578 1 2 David Cistola . P. . 5578 1 3 Ellen Li . . . 5578 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'cellular retinol-binding protein' 5578 1 'vitamin A' 5578 1 NMR 5578 1 structure 5578 1 dynamics 5578 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_holo-CRBP_I _Assembly.Sf_category assembly _Assembly.Sf_framecode system_holo-CRBP_I _Assembly.Entry_ID 5578 _Assembly.ID 1 _Assembly.Name 'rat cellular retinol-binding protein I, bound to all-trans retinol' _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 . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5578 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 'holo-CRBP I' 1 $CRBP_I . . . native . . . . . 5578 1 2 RETINOL 2 $RTL . . . native . . . . . 5578 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 1MX8 . . . . . . 5578 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'rat cellular retinol-binding protein I, bound to all-trans retinol' system 5578 1 'holo-CRBP I' abbreviation 5578 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'retinol transporter' 5578 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CRBP_I _Entity.Sf_category entity _Entity.Sf_framecode CRBP_I _Entity.Entry_ID 5578 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'rat cellular retinol-binding protein 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 ; PVDFNGYWKMLSNENFEEYL RALDVNVALRKIANLLKPDK EIVQDGDHMIIRTLSTFRNY IMDFQVGKEFEEDLTGIDDR KCMTTVSWDGDKLQCVQKGE KEGRGWTQWIEGDELHLEMR AEGVTCKQVFKKVH ; _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 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1.01e-93 . . . . 5578 1 2 no BMRB 5319 . CRBP-I . . . . . 100.00 135 100.00 100.00 1.01e-93 . . . . 5578 1 3 no BMRB 5330 . CRBP-I . . . . . 100.00 135 100.00 100.00 1.01e-93 . . . . 5578 1 4 no BMRB 5331 . CRBP-I . . . . . 100.00 135 100.00 100.00 1.01e-93 . . . . 5578 1 5 no BMRB 5579 . CRBP_I . . . . . 100.00 134 100.00 100.00 1.29e-93 . . . . 5578 1 6 no PDB 1CRB . "Crystallographic Studies On A Family Of Cellular Lipophilic Transport Proteins. Refinement Of P2 Myelin Protein And The Structu" . . . . . 100.00 134 100.00 100.00 1.29e-93 . . . . 5578 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 1.01e-93 . . . . 5578 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 1.01e-93 . . . . 5578 1 9 no PDB 1MX7 . "Two Homologous Rat Cellular Retinol-Binding Proteins Differ In Local Structure And Flexibility" . . . . . 100.00 134 100.00 100.00 1.29e-93 . . . . 5578 1 10 no PDB 1MX8 . "Two Homologous Rat Cellular Retinol-Binding Proteins Differ In Local Structure And Flexibility" . . . . . 100.00 134 100.00 100.00 1.29e-93 . . . . 5578 1 11 no DBJ BAB27753 . "unnamed protein product [Mus musculus]" . . . . . 100.00 135 99.25 99.25 7.19e-93 . . . . 5578 1 12 no EMBL CAA42919 . "cellular retinol binding protein I [Mus musculus]" . . . . . 100.00 135 99.25 99.25 7.19e-93 . . . . 5578 1 13 no GB AAA35714 . "retinol-binding protein, partial [Homo sapiens]" . . . . . 89.55 121 98.33 98.33 8.91e-81 . . . . 5578 1 14 no GB AAA40962 . "cytosolic retinol-binding protein [Rattus norvegicus]" . . . . . 100.00 135 100.00 100.00 1.01e-93 . . . . 5578 1 15 no GB AAA42021 . "cellular retinol binding protein [Rattus norvegicus]" . . . . . 100.00 135 100.00 100.00 1.01e-93 . . . . 5578 1 16 no GB AAH18254 . "Retinol binding protein 1, cellular [Mus musculus]" . . . . . 100.00 135 99.25 99.25 7.19e-93 . . . . 5578 1 17 no GB AAH91751 . "Rbp1 protein [Mus musculus]" . . . . . 100.00 135 99.25 99.25 7.19e-93 . . . . 5578 1 18 no REF NP_035384 . "retinol-binding protein 1 [Mus musculus]" . . . . . 100.00 135 99.25 99.25 7.19e-93 . . . . 5578 1 19 no REF NP_036865 . "retinol-binding protein 1 [Rattus norvegicus]" . . . . . 100.00 135 100.00 100.00 1.01e-93 . . . . 5578 1 20 no REF XP_005080789 . "PREDICTED: retinol-binding protein 1 [Mesocricetus auratus]" . . . . . 100.00 135 98.51 99.25 1.96e-92 . . . . 5578 1 21 no REF XP_005366741 . "PREDICTED: retinol-binding protein 1 [Microtus ochrogaster]" . . . . . 100.00 135 97.76 99.25 5.92e-92 . . . . 5578 1 22 no REF XP_006083819 . "PREDICTED: retinol-binding protein 1 [Myotis lucifugus]" . . . . . 100.00 135 97.01 97.76 5.93e-91 . . . . 5578 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 1.01e-93 . . . . 5578 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 99.25 99.25 7.19e-93 . . . . 5578 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'rat cellular retinol-binding protein I' common 5578 1 'CRBP I' abbreviation 5578 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 . PRO . 5578 1 2 . VAL . 5578 1 3 . ASP . 5578 1 4 . PHE . 5578 1 5 . ASN . 5578 1 6 . GLY . 5578 1 7 . TYR . 5578 1 8 . TRP . 5578 1 9 . LYS . 5578 1 10 . MET . 5578 1 11 . LEU . 5578 1 12 . SER . 5578 1 13 . ASN . 5578 1 14 . GLU . 5578 1 15 . ASN . 5578 1 16 . PHE . 5578 1 17 . GLU . 5578 1 18 . GLU . 5578 1 19 . TYR . 5578 1 20 . LEU . 5578 1 21 . ARG . 5578 1 22 . ALA . 5578 1 23 . LEU . 5578 1 24 . ASP . 5578 1 25 . VAL . 5578 1 26 . ASN . 5578 1 27 . VAL . 5578 1 28 . ALA . 5578 1 29 . LEU . 5578 1 30 . ARG . 5578 1 31 . LYS . 5578 1 32 . ILE . 5578 1 33 . ALA . 5578 1 34 . ASN . 5578 1 35 . LEU . 5578 1 36 . LEU . 5578 1 37 . LYS . 5578 1 38 . PRO . 5578 1 39 . ASP . 5578 1 40 . LYS . 5578 1 41 . GLU . 5578 1 42 . ILE . 5578 1 43 . VAL . 5578 1 44 . GLN . 5578 1 45 . ASP . 5578 1 46 . GLY . 5578 1 47 . ASP . 5578 1 48 . HIS . 5578 1 49 . MET . 5578 1 50 . ILE . 5578 1 51 . ILE . 5578 1 52 . ARG . 5578 1 53 . THR . 5578 1 54 . LEU . 5578 1 55 . SER . 5578 1 56 . THR . 5578 1 57 . PHE . 5578 1 58 . ARG . 5578 1 59 . ASN . 5578 1 60 . TYR . 5578 1 61 . ILE . 5578 1 62 . MET . 5578 1 63 . ASP . 5578 1 64 . PHE . 5578 1 65 . GLN . 5578 1 66 . VAL . 5578 1 67 . GLY . 5578 1 68 . LYS . 5578 1 69 . GLU . 5578 1 70 . PHE . 5578 1 71 . GLU . 5578 1 72 . GLU . 5578 1 73 . ASP . 5578 1 74 . LEU . 5578 1 75 . THR . 5578 1 76 . GLY . 5578 1 77 . ILE . 5578 1 78 . ASP . 5578 1 79 . ASP . 5578 1 80 . ARG . 5578 1 81 . LYS . 5578 1 82 . CYS . 5578 1 83 . MET . 5578 1 84 . THR . 5578 1 85 . THR . 5578 1 86 . VAL . 5578 1 87 . SER . 5578 1 88 . TRP . 5578 1 89 . ASP . 5578 1 90 . GLY . 5578 1 91 . ASP . 5578 1 92 . LYS . 5578 1 93 . LEU . 5578 1 94 . GLN . 5578 1 95 . CYS . 5578 1 96 . VAL . 5578 1 97 . GLN . 5578 1 98 . LYS . 5578 1 99 . GLY . 5578 1 100 . GLU . 5578 1 101 . LYS . 5578 1 102 . GLU . 5578 1 103 . GLY . 5578 1 104 . ARG . 5578 1 105 . GLY . 5578 1 106 . TRP . 5578 1 107 . THR . 5578 1 108 . GLN . 5578 1 109 . TRP . 5578 1 110 . ILE . 5578 1 111 . GLU . 5578 1 112 . GLY . 5578 1 113 . ASP . 5578 1 114 . GLU . 5578 1 115 . LEU . 5578 1 116 . HIS . 5578 1 117 . LEU . 5578 1 118 . GLU . 5578 1 119 . MET . 5578 1 120 . ARG . 5578 1 121 . ALA . 5578 1 122 . GLU . 5578 1 123 . GLY . 5578 1 124 . VAL . 5578 1 125 . THR . 5578 1 126 . CYS . 5578 1 127 . LYS . 5578 1 128 . GLN . 5578 1 129 . VAL . 5578 1 130 . PHE . 5578 1 131 . LYS . 5578 1 132 . LYS . 5578 1 133 . VAL . 5578 1 134 . HIS . 5578 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 . PRO 1 1 5578 1 . VAL 2 2 5578 1 . ASP 3 3 5578 1 . PHE 4 4 5578 1 . ASN 5 5 5578 1 . GLY 6 6 5578 1 . TYR 7 7 5578 1 . TRP 8 8 5578 1 . LYS 9 9 5578 1 . MET 10 10 5578 1 . LEU 11 11 5578 1 . SER 12 12 5578 1 . ASN 13 13 5578 1 . GLU 14 14 5578 1 . ASN 15 15 5578 1 . PHE 16 16 5578 1 . GLU 17 17 5578 1 . GLU 18 18 5578 1 . TYR 19 19 5578 1 . LEU 20 20 5578 1 . ARG 21 21 5578 1 . ALA 22 22 5578 1 . LEU 23 23 5578 1 . ASP 24 24 5578 1 . VAL 25 25 5578 1 . ASN 26 26 5578 1 . VAL 27 27 5578 1 . ALA 28 28 5578 1 . LEU 29 29 5578 1 . ARG 30 30 5578 1 . LYS 31 31 5578 1 . ILE 32 32 5578 1 . ALA 33 33 5578 1 . ASN 34 34 5578 1 . LEU 35 35 5578 1 . LEU 36 36 5578 1 . LYS 37 37 5578 1 . PRO 38 38 5578 1 . ASP 39 39 5578 1 . LYS 40 40 5578 1 . GLU 41 41 5578 1 . ILE 42 42 5578 1 . VAL 43 43 5578 1 . GLN 44 44 5578 1 . ASP 45 45 5578 1 . GLY 46 46 5578 1 . ASP 47 47 5578 1 . HIS 48 48 5578 1 . MET 49 49 5578 1 . ILE 50 50 5578 1 . ILE 51 51 5578 1 . ARG 52 52 5578 1 . THR 53 53 5578 1 . LEU 54 54 5578 1 . SER 55 55 5578 1 . THR 56 56 5578 1 . PHE 57 57 5578 1 . ARG 58 58 5578 1 . ASN 59 59 5578 1 . TYR 60 60 5578 1 . ILE 61 61 5578 1 . MET 62 62 5578 1 . ASP 63 63 5578 1 . PHE 64 64 5578 1 . GLN 65 65 5578 1 . VAL 66 66 5578 1 . GLY 67 67 5578 1 . LYS 68 68 5578 1 . GLU 69 69 5578 1 . PHE 70 70 5578 1 . GLU 71 71 5578 1 . GLU 72 72 5578 1 . ASP 73 73 5578 1 . LEU 74 74 5578 1 . THR 75 75 5578 1 . GLY 76 76 5578 1 . ILE 77 77 5578 1 . ASP 78 78 5578 1 . ASP 79 79 5578 1 . ARG 80 80 5578 1 . LYS 81 81 5578 1 . CYS 82 82 5578 1 . MET 83 83 5578 1 . THR 84 84 5578 1 . THR 85 85 5578 1 . VAL 86 86 5578 1 . SER 87 87 5578 1 . TRP 88 88 5578 1 . ASP 89 89 5578 1 . GLY 90 90 5578 1 . ASP 91 91 5578 1 . LYS 92 92 5578 1 . LEU 93 93 5578 1 . GLN 94 94 5578 1 . CYS 95 95 5578 1 . VAL 96 96 5578 1 . GLN 97 97 5578 1 . LYS 98 98 5578 1 . GLY 99 99 5578 1 . GLU 100 100 5578 1 . LYS 101 101 5578 1 . GLU 102 102 5578 1 . GLY 103 103 5578 1 . ARG 104 104 5578 1 . GLY 105 105 5578 1 . TRP 106 106 5578 1 . THR 107 107 5578 1 . GLN 108 108 5578 1 . TRP 109 109 5578 1 . ILE 110 110 5578 1 . GLU 111 111 5578 1 . GLY 112 112 5578 1 . ASP 113 113 5578 1 . GLU 114 114 5578 1 . LEU 115 115 5578 1 . HIS 116 116 5578 1 . LEU 117 117 5578 1 . GLU 118 118 5578 1 . MET 119 119 5578 1 . ARG 120 120 5578 1 . ALA 121 121 5578 1 . GLU 122 122 5578 1 . GLY 123 123 5578 1 . VAL 124 124 5578 1 . THR 125 125 5578 1 . CYS 126 126 5578 1 . LYS 127 127 5578 1 . GLN 128 128 5578 1 . VAL 129 129 5578 1 . PHE 130 130 5578 1 . LYS 131 131 5578 1 . LYS 132 132 5578 1 . VAL 133 133 5578 1 . HIS 134 134 5578 1 stop_ save_ save_RTL _Entity.Sf_category entity _Entity.Sf_framecode RTL _Entity.Entry_ID 5578 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RETINOL _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 . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label $chem_comp_RTL _Entity.Number_of_monomers 1 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID RETINOL common 5578 2 RTL abbreviation 5578 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . RTL . 5578 2 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 . RTL 1 1 5578 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 5578 _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 . . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 5578 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 5578 _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 JM101 . . . . . . . . . . . . plasmid . . pMON . . . . . . 5578 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 5578 _Chem_comp.ID RTL _Chem_comp.Provenance . _Chem_comp.Name RETINOL _Chem_comp.Type non-polymer _Chem_comp.BMRB_code RTL _Chem_comp.PDB_code RTL _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C20 H30 O1' _Chem_comp.Formula_weight . _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_common_name.Name _Chem_comp_common_name.Type _Chem_comp_common_name.Entry_ID _Chem_comp_common_name.Comp_ID RETINOL common 5578 RTL RTL abbreviation 5578 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 . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL C2 . C2 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL C3 . C3 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL C4 . C4 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL C5 . C5 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL C6 . C6 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL C7 . C7 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL C8 . C8 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL C9 . C9 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL C10 . C10 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL C11 . C11 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL C12 . C12 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL C13 . C13 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL C14 . C14 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL C15 . C15 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL O1 . O1 . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL C16 . C16 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL C17 . C17 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL C18 . C18 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL C19 . C19 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL C20 . C20 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL 1H2 . 1H2 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL 2H2 . 2H2 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL 1H3 . 1H3 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL 2H3 . 2H3 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL 1H4 . 1H4 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL 2H4 . 2H4 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL H7 . H7 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL H8 . H8 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL H10 . H10 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL H11 . H11 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL H12 . H12 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL H14 . H14 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL 1H15 . 1H15 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL 2H15 . 2H15 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL HO1 . HO1 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL 1H16 . 1H16 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL 2H16 . 2H16 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL 3H16 . 3H16 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL 1H17 . 1H17 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL 2H17 . 2H17 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL 3H17 . 3H17 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL 1H18 . 1H18 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL 2H18 . 2H18 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL 3H18 . 3H18 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL 1H19 . 1H19 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL 2H19 . 2H19 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL 3H19 . 3H19 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL 1H20 . 1H20 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL 2H20 . 2H20 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL 3H20 . 3H20 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 5578 RTL stop_ loop_ _Atom_nomenclature.Atom_ID _Atom_nomenclature.Atom_name _Atom_nomenclature.Naming_system _Atom_nomenclature.Entry_ID _Atom_nomenclature.Comp_ID . C1 . 5578 RTL . C2 . 5578 RTL . C3 . 5578 RTL . C4 . 5578 RTL . C5 . 5578 RTL . C6 . 5578 RTL . C7 . 5578 RTL . C8 . 5578 RTL . C9 . 5578 RTL . C10 . 5578 RTL . C11 . 5578 RTL . C12 . 5578 RTL . C13 . 5578 RTL . C14 . 5578 RTL . C15 . 5578 RTL . O1 . 5578 RTL . C16 . 5578 RTL . C17 . 5578 RTL . C18 . 5578 RTL . C19 . 5578 RTL . C20 . 5578 RTL . 1H2 . 5578 RTL . 2H2 . 5578 RTL . 1H3 . 5578 RTL . 2H3 . 5578 RTL . 1H4 . 5578 RTL . 2H4 . 5578 RTL . H7 . 5578 RTL . H8 . 5578 RTL . H10 . 5578 RTL . H11 . 5578 RTL . H12 . 5578 RTL . H14 . 5578 RTL . 1H15 . 5578 RTL . 2H15 . 5578 RTL . HO1 . 5578 RTL . 1H16 . 5578 RTL . 2H16 . 5578 RTL . 3H16 . 5578 RTL . 1H17 . 5578 RTL . 2H17 . 5578 RTL . 3H17 . 5578 RTL . 1H18 . 5578 RTL . 2H18 . 5578 RTL . 3H18 . 5578 RTL . 1H19 . 5578 RTL . 2H19 . 5578 RTL . 3H19 . 5578 RTL . 1H20 . 5578 RTL . 2H20 . 5578 RTL . 3H20 . 5578 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 . . . . 5578 RTL 2 . SING C1 C6 . . . . 5578 RTL 3 . SING C1 C16 . . . . 5578 RTL 4 . SING C1 C17 . . . . 5578 RTL 5 . SING C2 C3 . . . . 5578 RTL 6 . SING C2 1H2 . . . . 5578 RTL 7 . SING C2 2H2 . . . . 5578 RTL 8 . SING C3 C4 . . . . 5578 RTL 9 . SING C3 1H3 . . . . 5578 RTL 10 . SING C3 2H3 . . . . 5578 RTL 11 . SING C4 C5 . . . . 5578 RTL 12 . SING C4 1H4 . . . . 5578 RTL 13 . SING C4 2H4 . . . . 5578 RTL 14 . DOUB C5 C6 . . . . 5578 RTL 15 . SING C5 C18 . . . . 5578 RTL 16 . SING C6 C7 . . . . 5578 RTL 17 . DOUB C7 C8 . . . . 5578 RTL 18 . SING C7 H7 . . . . 5578 RTL 19 . SING C8 C9 . . . . 5578 RTL 20 . SING C8 H8 . . . . 5578 RTL 21 . DOUB C9 C10 . . . . 5578 RTL 22 . SING C9 C19 . . . . 5578 RTL 23 . SING C10 C11 . . . . 5578 RTL 24 . SING C10 H10 . . . . 5578 RTL 25 . DOUB C11 C12 . . . . 5578 RTL 26 . SING C11 H11 . . . . 5578 RTL 27 . SING C12 C13 . . . . 5578 RTL 28 . SING C12 H12 . . . . 5578 RTL 29 . DOUB C13 C14 . . . . 5578 RTL 30 . SING C13 C20 . . . . 5578 RTL 31 . SING C14 C15 . . . . 5578 RTL 32 . SING C14 H14 . . . . 5578 RTL 33 . SING C15 O1 . . . . 5578 RTL 34 . SING C15 1H15 . . . . 5578 RTL 35 . SING C15 2H15 . . . . 5578 RTL 36 . SING O1 HO1 . . . . 5578 RTL 37 . SING C16 1H16 . . . . 5578 RTL 38 . SING C16 2H16 . . . . 5578 RTL 39 . SING C16 3H16 . . . . 5578 RTL 40 . SING C17 1H17 . . . . 5578 RTL 41 . SING C17 2H17 . . . . 5578 RTL 42 . SING C17 3H17 . . . . 5578 RTL 43 . SING C18 1H18 . . . . 5578 RTL 44 . SING C18 2H18 . . . . 5578 RTL 45 . SING C18 3H18 . . . . 5578 RTL 46 . SING C19 1H19 . . . . 5578 RTL 47 . SING C19 2H19 . . . . 5578 RTL 48 . SING C19 3H19 . . . . 5578 RTL 49 . SING C20 1H20 . . . . 5578 RTL 50 . SING C20 2H20 . . . . 5578 RTL 51 . SING C20 3H20 . . . . 5578 RTL stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5578 _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 'rat cellular retinol-binding protein I' '[U-99% 15N; U-13C]' . . 1 $CRBP_I . . 1.0 . . mM . . . . 5578 1 stop_ save_ save_Sample_2 _Sample.Sf_category sample _Sample.Sf_framecode Sample_2 _Sample.Entry_ID 5578 _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 'rat cellular retinol-binding protein I' '[U-80% 2H; U-99% 15N]' . . 1 $CRBP_I . . 1.0 . . mM . . . . 5578 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5578 _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 7.4 0.2 n/a 5578 1 temperature 298 1 K 5578 1 stop_ save_ save_Ex-cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_2 _Sample_condition_list.Entry_ID 5578 _Sample_condition_list.ID 2 _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 6.5 0.2 n/a 5578 2 temperature 298 1 K 5578 2 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5578 _Software.ID 1 _Software.Name FELIX _Software.Version 2000 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automatic peak picking' 5578 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5578 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5578 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5578 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITYPLUS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 5578 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _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 5578 _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_1 Varian INOVA . 500 . . . 5578 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 5578 1 3 NMR_spectrometer_3 Varian UNITYPLUS . 500 . . . 5578 1 4 NMR_spectrometer_4 Varian UNITY . 600 . . . 5578 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 5578 _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 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5578 1 2 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5578 1 3 CBCACONNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5578 1 4 CBCACOCAHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5578 1 5 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5578 1 6 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5578 1 7 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5578 1 8 '1H-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5578 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 5578 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCO _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 5578 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 5578 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCACONNH _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 5578 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCACOCAHA _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 5578 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '1H-15N 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 . _NMR_spec_expt.NMR_spectrometer_label . _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 5578 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '1H-15N 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 . _NMR_spec_expt.NMR_spectrometer_label . _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5578 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-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 . _NMR_spec_expt.NMR_spectrometer_label . _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5578 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '1H-13C 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 . _NMR_spec_expt.NMR_spectrometer_label . _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 5578 _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 0.00 external direct 1.0 external cylindrical parallel . . . . . . 5578 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.25145000 external cylindrical parallel . . . . . . 5578 1 N 15 'ammonium chloride' 'ammonium nitrogen' . . . . ppm 0.00 external direct 0.10132900 external cylindrical parallel . . . . . . 5578 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5578 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 . 5578 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 PRO HB2 H 1 1.38 0.02 . . . . . . . . . . 5578 1 2 . 1 1 1 1 PRO HD2 H 1 3.18 0.02 . . . . . . . . . . 5578 1 3 . 1 1 1 1 PRO HG2 H 1 1.66 0.02 . . . . . . . . . . 5578 1 4 . 1 1 1 1 PRO HB3 H 1 1.17 0.02 . . . . . . . . . . 5578 1 5 . 1 1 1 1 PRO HD3 H 1 3.02 0.02 . . . . . . . . . . 5578 1 6 . 1 1 1 1 PRO HG3 H 1 1.25 0.02 . . . . . . . . . . 5578 1 7 . 1 1 1 1 PRO C C 13 171.0 0.05 . . . . . . . . . . 5578 1 8 . 1 1 1 1 PRO CA C 13 62.4 0.05 . . . . . . . . . . 5578 1 9 . 1 1 1 1 PRO CB C 13 31.7 0.05 . . . . . . . . . . 5578 1 10 . 1 1 1 1 PRO CD C 13 48.6 0.05 . . . . . . . . . . 5578 1 11 . 1 1 1 1 PRO CG C 13 25.5 0.05 . . . . . . . . . . 5578 1 12 . 1 1 1 1 PRO HA H 1 3.02 0.02 . . . . . . . . . . 5578 1 13 . 1 1 2 2 VAL HG11 H 1 0.72 0.02 . . . . . . . . . . 5578 1 14 . 1 1 2 2 VAL HG12 H 1 0.72 0.02 . . . . . . . . . . 5578 1 15 . 1 1 2 2 VAL HG13 H 1 0.72 0.02 . . . . . . . . . . 5578 1 16 . 1 1 2 2 VAL HG21 H 1 0.63 0.02 . . . . . . . . . . 5578 1 17 . 1 1 2 2 VAL HG22 H 1 0.63 0.02 . . . . . . . . . . 5578 1 18 . 1 1 2 2 VAL HG23 H 1 0.63 0.02 . . . . . . . . . . 5578 1 19 . 1 1 2 2 VAL C C 13 172.9 0.05 . . . . . . . . . . 5578 1 20 . 1 1 2 2 VAL CA C 13 61.0 0.05 . . . . . . . . . . 5578 1 21 . 1 1 2 2 VAL CB C 13 34.7 0.05 . . . . . . . . . . 5578 1 22 . 1 1 2 2 VAL CG1 C 13 21.8 0.05 . . . . . . . . . . 5578 1 23 . 1 1 2 2 VAL CG2 C 13 19.7 0.05 . . . . . . . . . . 5578 1 24 . 1 1 2 2 VAL HA H 1 4.21 0.02 . . . . . . . . . . 5578 1 25 . 1 1 2 2 VAL HB H 1 1.94 0.02 . . . . . . . . . . 5578 1 26 . 1 1 2 2 VAL H H 1 6.92 0.02 . . . . . . . . . . 5578 1 27 . 1 1 2 2 VAL N N 15 120.2 0.05 . . . . . . . . . . 5578 1 28 . 1 1 3 3 ASP HB2 H 1 2.94 0.02 . . . . . . . . . . 5578 1 29 . 1 1 3 3 ASP HB3 H 1 2.44 0.02 . . . . . . . . . . 5578 1 30 . 1 1 3 3 ASP C C 13 176.4 0.05 . . . . . . . . . . 5578 1 31 . 1 1 3 3 ASP CA C 13 52.9 0.05 . . . . . . . . . . 5578 1 32 . 1 1 3 3 ASP CB C 13 41.7 0.05 . . . . . . . . . . 5578 1 33 . 1 1 3 3 ASP HA H 1 4.93 0.02 . . . . . . . . . . 5578 1 34 . 1 1 3 3 ASP H H 1 8.10 0.02 . . . . . . . . . . 5578 1 35 . 1 1 3 3 ASP N N 15 125.0 0.05 . . . . . . . . . . 5578 1 36 . 1 1 4 4 PHE HB2 H 1 3.36 0.02 . . . . . . . . . . 5578 1 37 . 1 1 4 4 PHE HB3 H 1 2.93 0.02 . . . . . . . . . . 5578 1 38 . 1 1 4 4 PHE C C 13 175.2 0.05 . . . . . . . . . . 5578 1 39 . 1 1 4 4 PHE CA C 13 58.8 0.05 . . . . . . . . . . 5578 1 40 . 1 1 4 4 PHE CB C 13 40.4 0.05 . . . . . . . . . . 5578 1 41 . 1 1 4 4 PHE HA H 1 4.62 0.02 . . . . . . . . . . 5578 1 42 . 1 1 4 4 PHE HD1 H 1 7.16 0.02 . . . . . . . . . . 5578 1 43 . 1 1 4 4 PHE HD2 H 1 7.16 0.02 . . . . . . . . . . 5578 1 44 . 1 1 4 4 PHE HE1 H 1 7.29 0.02 . . . . . . . . . . 5578 1 45 . 1 1 4 4 PHE HE2 H 1 7.29 0.02 . . . . . . . . . . 5578 1 46 . 1 1 4 4 PHE H H 1 9.81 0.02 . . . . . . . . . . 5578 1 47 . 1 1 4 4 PHE N N 15 127.0 0.05 . . . . . . . . . . 5578 1 48 . 1 1 5 5 ASN HB2 H 1 3.15 0.02 . . . . . . . . . . 5578 1 49 . 1 1 5 5 ASN HD21 H 1 9.60 0.02 . . . . . . . . . . 5578 1 50 . 1 1 5 5 ASN HB3 H 1 2.52 0.02 . . . . . . . . . . 5578 1 51 . 1 1 5 5 ASN HD22 H 1 7.84 0.02 . . . . . . . . . . 5578 1 52 . 1 1 5 5 ASN C C 13 176.9 0.05 . . . . . . . . . . 5578 1 53 . 1 1 5 5 ASN CA C 13 56.6 0.05 . . . . . . . . . . 5578 1 54 . 1 1 5 5 ASN CB C 13 40.2 0.05 . . . . . . . . . . 5578 1 55 . 1 1 5 5 ASN HA H 1 4.36 0.02 . . . . . . . . . . 5578 1 56 . 1 1 5 5 ASN H H 1 8.52 0.02 . . . . . . . . . . 5578 1 57 . 1 1 5 5 ASN N N 15 120.0 0.05 . . . . . . . . . . 5578 1 58 . 1 1 5 5 ASN ND2 N 15 125.6 0.05 . . . . . . . . . . 5578 1 59 . 1 1 6 6 GLY HA2 H 1 4.25 0.02 . . . . . . . . . . 5578 1 60 . 1 1 6 6 GLY HA3 H 1 3.82 0.02 . . . . . . . . . . 5578 1 61 . 1 1 6 6 GLY C C 13 170.2 0.05 . . . . . . . . . . 5578 1 62 . 1 1 6 6 GLY CA C 13 44.4 0.05 . . . . . . . . . . 5578 1 63 . 1 1 6 6 GLY H H 1 8.61 0.02 . . . . . . . . . . 5578 1 64 . 1 1 6 6 GLY N N 15 110.7 0.05 . . . . . . . . . . 5578 1 65 . 1 1 7 7 TYR HB2 H 1 2.74 0.02 . . . . . . . . . . 5578 1 66 . 1 1 7 7 TYR HB3 H 1 2.74 0.02 . . . . . . . . . . 5578 1 67 . 1 1 7 7 TYR C C 13 174.0 0.05 . . . . . . . . . . 5578 1 68 . 1 1 7 7 TYR CA C 13 57.2 0.05 . . . . . . . . . . 5578 1 69 . 1 1 7 7 TYR CB C 13 40.8 0.05 . . . . . . . . . . 5578 1 70 . 1 1 7 7 TYR HA H 1 4.97 0.02 . . . . . . . . . . 5578 1 71 . 1 1 7 7 TYR HD1 H 1 6.95 0.02 . . . . . . . . . . 5578 1 72 . 1 1 7 7 TYR HD2 H 1 6.95 0.02 . . . . . . . . . . 5578 1 73 . 1 1 7 7 TYR HE1 H 1 6.77 0.02 . . . . . . . . . . 5578 1 74 . 1 1 7 7 TYR HE2 H 1 6.77 0.02 . . . . . . . . . . 5578 1 75 . 1 1 7 7 TYR H H 1 8.44 0.02 . . . . . . . . . . 5578 1 76 . 1 1 7 7 TYR N N 15 126.3 0.05 . . . . . . . . . . 5578 1 77 . 1 1 8 8 TRP HB2 H 1 2.92 0.02 . . . . . . . . . . 5578 1 78 . 1 1 8 8 TRP HB3 H 1 2.64 0.02 . . . . . . . . . . 5578 1 79 . 1 1 8 8 TRP C C 13 174.9 0.05 . . . . . . . . . . 5578 1 80 . 1 1 8 8 TRP CA C 13 54.6 0.05 . . . . . . . . . . 5578 1 81 . 1 1 8 8 TRP CB C 13 30.2 0.05 . . . . . . . . . . 5578 1 82 . 1 1 8 8 TRP HA H 1 5.08 0.02 . . . . . . . . . . 5578 1 83 . 1 1 8 8 TRP HD1 H 1 7.13 0.02 . . . . . . . . . . 5578 1 84 . 1 1 8 8 TRP HE1 H 1 9.09 0.02 . . . . . . . . . . 5578 1 85 . 1 1 8 8 TRP H H 1 9.19 0.02 . . . . . . . . . . 5578 1 86 . 1 1 8 8 TRP N N 15 132.4 0.05 . . . . . . . . . . 5578 1 87 . 1 1 8 8 TRP NE1 N 15 130.2 0.05 . . . . . . . . . . 5578 1 88 . 1 1 9 9 LYS HB2 H 1 1.81 0.02 . . . . . . . . . . 5578 1 89 . 1 1 9 9 LYS HD2 H 1 1.82 0.02 . . . . . . . . . . 5578 1 90 . 1 1 9 9 LYS HE2 H 1 3.07 0.02 . . . . . . . . . . 5578 1 91 . 1 1 9 9 LYS HG2 H 1 1.61 0.02 . . . . . . . . . . 5578 1 92 . 1 1 9 9 LYS HB3 H 1 1.90 0.02 . . . . . . . . . . 5578 1 93 . 1 1 9 9 LYS HD3 H 1 1.75 0.02 . . . . . . . . . . 5578 1 94 . 1 1 9 9 LYS HE3 H 1 3.07 0.02 . . . . . . . . . . 5578 1 95 . 1 1 9 9 LYS HG3 H 1 1.57 0.02 . . . . . . . . . . 5578 1 96 . 1 1 9 9 LYS C C 13 177.8 0.05 . . . . . . . . . . 5578 1 97 . 1 1 9 9 LYS CA C 13 54.3 0.05 . . . . . . . . . . 5578 1 98 . 1 1 9 9 LYS CB C 13 35.3 0.05 . . . . . . . . . . 5578 1 99 . 1 1 9 9 LYS CD C 13 29.3 0.05 . . . . . . . . . . 5578 1 100 . 1 1 9 9 LYS CE C 13 41.7 0.05 . . . . . . . . . . 5578 1 101 . 1 1 9 9 LYS CG C 13 24.5 0.05 . . . . . . . . . . 5578 1 102 . 1 1 9 9 LYS HA H 1 5.20 0.02 . . . . . . . . . . 5578 1 103 . 1 1 9 9 LYS H H 1 9.21 0.02 . . . . . . . . . . 5578 1 104 . 1 1 9 9 LYS N N 15 128.4 0.05 . . . . . . . . . . 5578 1 105 . 1 1 10 10 MET HB2 H 1 1.97 0.02 . . . . . . . . . . 5578 1 106 . 1 1 10 10 MET HG2 H 1 2.63 0.02 . . . . . . . . . . 5578 1 107 . 1 1 10 10 MET HB3 H 1 1.56 0.02 . . . . . . . . . . 5578 1 108 . 1 1 10 10 MET HG3 H 1 2.63 0.02 . . . . . . . . . . 5578 1 109 . 1 1 10 10 MET C C 13 175.4 0.05 . . . . . . . . . . 5578 1 110 . 1 1 10 10 MET CA C 13 59.6 0.05 . . . . . . . . . . 5578 1 111 . 1 1 10 10 MET CB C 13 32.8 0.05 . . . . . . . . . . 5578 1 112 . 1 1 10 10 MET CG C 13 33.0 0.05 . . . . . . . . . . 5578 1 113 . 1 1 10 10 MET HA H 1 3.52 0.02 . . . . . . . . . . 5578 1 114 . 1 1 10 10 MET H H 1 8.56 0.02 . . . . . . . . . . 5578 1 115 . 1 1 10 10 MET N N 15 129.4 0.05 . . . . . . . . . . 5578 1 116 . 1 1 11 11 LEU HB2 H 1 1.36 0.02 . . . . . . . . . . 5578 1 117 . 1 1 11 11 LEU HD11 H 1 0.85 0.02 . . . . . . . . . . 5578 1 118 . 1 1 11 11 LEU HD12 H 1 0.85 0.02 . . . . . . . . . . 5578 1 119 . 1 1 11 11 LEU HD13 H 1 0.85 0.02 . . . . . . . . . . 5578 1 120 . 1 1 11 11 LEU HD21 H 1 0.82 0.02 . . . . . . . . . . 5578 1 121 . 1 1 11 11 LEU HD22 H 1 0.82 0.02 . . . . . . . . . . 5578 1 122 . 1 1 11 11 LEU HD23 H 1 0.82 0.02 . . . . . . . . . . 5578 1 123 . 1 1 11 11 LEU HB3 H 1 1.31 0.02 . . . . . . . . . . 5578 1 124 . 1 1 11 11 LEU C C 13 176.7 0.05 . . . . . . . . . . 5578 1 125 . 1 1 11 11 LEU CA C 13 55.2 0.05 . . . . . . . . . . 5578 1 126 . 1 1 11 11 LEU CB C 13 44.8 0.05 . . . . . . . . . . 5578 1 127 . 1 1 11 11 LEU CD1 C 13 24.8 0.05 . . . . . . . . . . 5578 1 128 . 1 1 11 11 LEU CD2 C 13 24.0 0.05 . . . . . . . . . . 5578 1 129 . 1 1 11 11 LEU CG C 13 26.5 0.05 . . . . . . . . . . 5578 1 130 . 1 1 11 11 LEU HA H 1 4.49 0.02 . . . . . . . . . . 5578 1 131 . 1 1 11 11 LEU HG H 1 1.49 0.02 . . . . . . . . . . 5578 1 132 . 1 1 11 11 LEU H H 1 9.58 0.02 . . . . . . . . . . 5578 1 133 . 1 1 11 11 LEU N N 15 130.9 0.05 . . . . . . . . . . 5578 1 134 . 1 1 12 12 SER HB2 H 1 3.74 0.02 . . . . . . . . . . 5578 1 135 . 1 1 12 12 SER HB3 H 1 3.49 0.02 . . . . . . . . . . 5578 1 136 . 1 1 12 12 SER C C 13 172.1 0.05 . . . . . . . . . . 5578 1 137 . 1 1 12 12 SER CA C 13 57.4 0.05 . . . . . . . . . . 5578 1 138 . 1 1 12 12 SER CB C 13 65.1 0.05 . . . . . . . . . . 5578 1 139 . 1 1 12 12 SER HA H 1 4.51 0.02 . . . . . . . . . . 5578 1 140 . 1 1 12 12 SER H H 1 7.70 0.02 . . . . . . . . . . 5578 1 141 . 1 1 12 12 SER N N 15 115.4 0.05 . . . . . . . . . . 5578 1 142 . 1 1 13 13 ASN HB2 H 1 3.07 0.02 . . . . . . . . . . 5578 1 143 . 1 1 13 13 ASN HD21 H 1 7.30 0.02 . . . . . . . . . . 5578 1 144 . 1 1 13 13 ASN HB3 H 1 2.84 0.02 . . . . . . . . . . 5578 1 145 . 1 1 13 13 ASN HD22 H 1 4.38 0.02 . . . . . . . . . . 5578 1 146 . 1 1 13 13 ASN C C 13 174.2 0.05 . . . . . . . . . . 5578 1 147 . 1 1 13 13 ASN CA C 13 52.4 0.05 . . . . . . . . . . 5578 1 148 . 1 1 13 13 ASN CB C 13 40.1 0.05 . . . . . . . . . . 5578 1 149 . 1 1 13 13 ASN HA H 1 4.91 0.02 . . . . . . . . . . 5578 1 150 . 1 1 13 13 ASN H H 1 8.39 0.02 . . . . . . . . . . 5578 1 151 . 1 1 13 13 ASN N N 15 123.2 0.05 . . . . . . . . . . 5578 1 152 . 1 1 13 13 ASN ND2 N 15 109.1 0.05 . . . . . . . . . . 5578 1 153 . 1 1 14 14 GLU HB2 H 1 2.15 0.02 . . . . . . . . . . 5578 1 154 . 1 1 14 14 GLU HG2 H 1 2.25 0.02 . . . . . . . . . . 5578 1 155 . 1 1 14 14 GLU HB3 H 1 2.01 0.02 . . . . . . . . . . 5578 1 156 . 1 1 14 14 GLU HG3 H 1 2.25 0.02 . . . . . . . . . . 5578 1 157 . 1 1 14 14 GLU C C 13 176.0 0.05 . . . . . . . . . . 5578 1 158 . 1 1 14 14 GLU CA C 13 55.2 0.05 . . . . . . . . . . 5578 1 159 . 1 1 14 14 GLU CB C 13 32.6 0.05 . . . . . . . . . . 5578 1 160 . 1 1 14 14 GLU CG C 13 36.0 0.05 . . . . . . . . . . 5578 1 161 . 1 1 14 14 GLU HA H 1 4.74 0.02 . . . . . . . . . . 5578 1 162 . 1 1 14 14 GLU H H 1 8.99 0.02 . . . . . . . . . . 5578 1 163 . 1 1 14 14 GLU N N 15 129.7 0.05 . . . . . . . . . . 5578 1 164 . 1 1 15 15 ASN HB2 H 1 3.77 0.02 . . . . . . . . . . 5578 1 165 . 1 1 15 15 ASN HD21 H 1 7.65 0.02 . . . . . . . . . . 5578 1 166 . 1 1 15 15 ASN HB3 H 1 2.88 0.02 . . . . . . . . . . 5578 1 167 . 1 1 15 15 ASN HD22 H 1 7.10 0.02 . . . . . . . . . . 5578 1 168 . 1 1 15 15 ASN C C 13 175.9 0.05 . . . . . . . . . . 5578 1 169 . 1 1 15 15 ASN CA C 13 53.7 0.05 . . . . . . . . . . 5578 1 170 . 1 1 15 15 ASN CB C 13 39.1 0.05 . . . . . . . . . . 5578 1 171 . 1 1 15 15 ASN HA H 1 4.77 0.02 . . . . . . . . . . 5578 1 172 . 1 1 15 15 ASN H H 1 9.53 0.02 . . . . . . . . . . 5578 1 173 . 1 1 15 15 ASN N N 15 126.4 0.05 . . . . . . . . . . 5578 1 174 . 1 1 15 15 ASN ND2 N 15 115.1 0.05 . . . . . . . . . . 5578 1 175 . 1 1 16 16 PHE HB2 H 1 3.46 0.02 . . . . . . . . . . 5578 1 176 . 1 1 16 16 PHE HB3 H 1 3.12 0.02 . . . . . . . . . . 5578 1 177 . 1 1 16 16 PHE C C 13 177.9 0.05 . . . . . . . . . . 5578 1 178 . 1 1 16 16 PHE CA C 13 59.7 0.05 . . . . . . . . . . 5578 1 179 . 1 1 16 16 PHE CB C 13 38.9 0.05 . . . . . . . . . . 5578 1 180 . 1 1 16 16 PHE HA H 1 4.87 0.02 . . . . . . . . . . 5578 1 181 . 1 1 16 16 PHE HD1 H 1 7.29 0.02 . . . . . . . . . . 5578 1 182 . 1 1 16 16 PHE HD2 H 1 7.29 0.02 . . . . . . . . . . 5578 1 183 . 1 1 16 16 PHE HE1 H 1 7.53 0.02 . . . . . . . . . . 5578 1 184 . 1 1 16 16 PHE HE2 H 1 7.53 0.02 . . . . . . . . . . 5578 1 185 . 1 1 16 16 PHE H H 1 8.38 0.02 . . . . . . . . . . 5578 1 186 . 1 1 16 16 PHE N N 15 123.2 0.05 . . . . . . . . . . 5578 1 187 . 1 1 17 17 GLU HB2 H 1 2.12 0.02 . . . . . . . . . . 5578 1 188 . 1 1 17 17 GLU HG2 H 1 2.21 0.02 . . . . . . . . . . 5578 1 189 . 1 1 17 17 GLU HB3 H 1 1.91 0.02 . . . . . . . . . . 5578 1 190 . 1 1 17 17 GLU HG3 H 1 2.07 0.02 . . . . . . . . . . 5578 1 191 . 1 1 17 17 GLU C C 13 178.5 0.05 . . . . . . . . . . 5578 1 192 . 1 1 17 17 GLU CA C 13 60.3 0.05 . . . . . . . . . . 5578 1 193 . 1 1 17 17 GLU CB C 13 28.4 0.05 . . . . . . . . . . 5578 1 194 . 1 1 17 17 GLU CG C 13 36.7 0.05 . . . . . . . . . . 5578 1 195 . 1 1 17 17 GLU HA H 1 3.67 0.02 . . . . . . . . . . 5578 1 196 . 1 1 17 17 GLU H H 1 8.63 0.02 . . . . . . . . . . 5578 1 197 . 1 1 17 17 GLU N N 15 121.6 0.05 . . . . . . . . . . 5578 1 198 . 1 1 18 18 GLU HB2 H 1 1.95 0.02 . . . . . . . . . . 5578 1 199 . 1 1 18 18 GLU HG2 H 1 2.42 0.02 . . . . . . . . . . 5578 1 200 . 1 1 18 18 GLU HB3 H 1 1.95 0.02 . . . . . . . . . . 5578 1 201 . 1 1 18 18 GLU HG3 H 1 2.37 0.02 . . . . . . . . . . 5578 1 202 . 1 1 18 18 GLU C C 13 179.4 0.05 . . . . . . . . . . 5578 1 203 . 1 1 18 18 GLU CA C 13 59.7 0.05 . . . . . . . . . . 5578 1 204 . 1 1 18 18 GLU CB C 13 28.6 0.05 . . . . . . . . . . 5578 1 205 . 1 1 18 18 GLU CG C 13 37.1 0.05 . . . . . . . . . . 5578 1 206 . 1 1 18 18 GLU HA H 1 3.89 0.02 . . . . . . . . . . 5578 1 207 . 1 1 18 18 GLU H H 1 8.29 0.02 . . . . . . . . . . 5578 1 208 . 1 1 18 18 GLU N N 15 121.4 0.05 . . . . . . . . . . 5578 1 209 . 1 1 19 19 TYR HB2 H 1 3.25 0.02 . . . . . . . . . . 5578 1 210 . 1 1 19 19 TYR HB3 H 1 2.90 0.02 . . . . . . . . . . 5578 1 211 . 1 1 19 19 TYR C C 13 175.1 0.05 . . . . . . . . . . 5578 1 212 . 1 1 19 19 TYR CA C 13 61.4 0.05 . . . . . . . . . . 5578 1 213 . 1 1 19 19 TYR CB C 13 39.2 0.05 . . . . . . . . . . 5578 1 214 . 1 1 19 19 TYR HA H 1 3.96 0.02 . . . . . . . . . . 5578 1 215 . 1 1 19 19 TYR HD1 H 1 6.83 0.02 . . . . . . . . . . 5578 1 216 . 1 1 19 19 TYR HD2 H 1 6.83 0.02 . . . . . . . . . . 5578 1 217 . 1 1 19 19 TYR HE1 H 1 7.12 0.02 . . . . . . . . . . 5578 1 218 . 1 1 19 19 TYR HE2 H 1 7.12 0.02 . . . . . . . . . . 5578 1 219 . 1 1 19 19 TYR H H 1 7.61 0.02 . . . . . . . . . . 5578 1 220 . 1 1 19 19 TYR N N 15 126.3 0.05 . . . . . . . . . . 5578 1 221 . 1 1 20 20 LEU HB2 H 1 1.64 0.02 . . . . . . . . . . 5578 1 222 . 1 1 20 20 LEU HD11 H 1 0.49 0.02 . . . . . . . . . . 5578 1 223 . 1 1 20 20 LEU HD12 H 1 0.49 0.02 . . . . . . . . . . 5578 1 224 . 1 1 20 20 LEU HD13 H 1 0.49 0.02 . . . . . . . . . . 5578 1 225 . 1 1 20 20 LEU HB3 H 1 0.67 0.02 . . . . . . . . . . 5578 1 226 . 1 1 20 20 LEU HD21 H 1 0.49 0.02 . . . . . . . . . . 5578 1 227 . 1 1 20 20 LEU HD22 H 1 0.49 0.02 . . . . . . . . . . 5578 1 228 . 1 1 20 20 LEU HD23 H 1 0.49 0.02 . . . . . . . . . . 5578 1 229 . 1 1 20 20 LEU C C 13 180.2 0.05 . . . . . . . . . . 5578 1 230 . 1 1 20 20 LEU CA C 13 57.1 0.05 . . . . . . . . . . 5578 1 231 . 1 1 20 20 LEU CB C 13 40.7 0.05 . . . . . . . . . . 5578 1 232 . 1 1 20 20 LEU CD1 C 13 21.7 0.05 . . . . . . . . . . 5578 1 233 . 1 1 20 20 LEU CD2 C 13 21.7 0.05 . . . . . . . . . . 5578 1 234 . 1 1 20 20 LEU CG C 13 26.4 0.05 . . . . . . . . . . 5578 1 235 . 1 1 20 20 LEU HA H 1 3.47 0.02 . . . . . . . . . . 5578 1 236 . 1 1 20 20 LEU HG H 1 0.06 0.02 . . . . . . . . . . 5578 1 237 . 1 1 20 20 LEU H H 1 8.09 0.02 . . . . . . . . . . 5578 1 238 . 1 1 20 20 LEU N N 15 119.8 0.05 . . . . . . . . . . 5578 1 239 . 1 1 21 21 ARG HB2 H 1 2.01 0.02 . . . . . . . . . . 5578 1 240 . 1 1 21 21 ARG HD2 H 1 3.12 0.02 . . . . . . . . . . 5578 1 241 . 1 1 21 21 ARG HG2 H 1 1.59 0.02 . . . . . . . . . . 5578 1 242 . 1 1 21 21 ARG HB3 H 1 1.64 0.02 . . . . . . . . . . 5578 1 243 . 1 1 21 21 ARG HD3 H 1 3.12 0.02 . . . . . . . . . . 5578 1 244 . 1 1 21 21 ARG HG3 H 1 1.46 0.02 . . . . . . . . . . 5578 1 245 . 1 1 21 21 ARG C C 13 180.4 0.05 . . . . . . . . . . 5578 1 246 . 1 1 21 21 ARG CA C 13 60.1 0.05 . . . . . . . . . . 5578 1 247 . 1 1 21 21 ARG CB C 13 30.1 0.05 . . . . . . . . . . 5578 1 248 . 1 1 21 21 ARG CD C 13 43.0 0.05 . . . . . . . . . . 5578 1 249 . 1 1 21 21 ARG CG C 13 27.7 0.05 . . . . . . . . . . 5578 1 250 . 1 1 21 21 ARG HA H 1 3.80 0.02 . . . . . . . . . . 5578 1 251 . 1 1 21 21 ARG H H 1 8.65 0.02 . . . . . . . . . . 5578 1 252 . 1 1 21 21 ARG N N 15 124.9 0.05 . . . . . . . . . . 5578 1 253 . 1 1 22 22 ALA HB1 H 1 1.40 0.02 . . . . . . . . . . 5578 1 254 . 1 1 22 22 ALA HB2 H 1 1.40 0.02 . . . . . . . . . . 5578 1 255 . 1 1 22 22 ALA HB3 H 1 1.40 0.02 . . . . . . . . . . 5578 1 256 . 1 1 22 22 ALA C C 13 178.0 0.05 . . . . . . . . . . 5578 1 257 . 1 1 22 22 ALA CA C 13 54.6 0.05 . . . . . . . . . . 5578 1 258 . 1 1 22 22 ALA CB C 13 17.7 0.05 . . . . . . . . . . 5578 1 259 . 1 1 22 22 ALA HA H 1 4.05 0.02 . . . . . . . . . . 5578 1 260 . 1 1 22 22 ALA H H 1 7.91 0.02 . . . . . . . . . . 5578 1 261 . 1 1 22 22 ALA N N 15 128.7 0.05 . . . . . . . . . . 5578 1 262 . 1 1 23 23 LEU HB2 H 1 1.54 0.02 . . . . . . . . . . 5578 1 263 . 1 1 23 23 LEU HD11 H 1 0.24 0.02 . . . . . . . . . . 5578 1 264 . 1 1 23 23 LEU HD12 H 1 0.24 0.02 . . . . . . . . . . 5578 1 265 . 1 1 23 23 LEU HD13 H 1 0.24 0.02 . . . . . . . . . . 5578 1 266 . 1 1 23 23 LEU HD21 H 1 0.33 0.02 . . . . . . . . . . 5578 1 267 . 1 1 23 23 LEU HD22 H 1 0.33 0.02 . . . . . . . . . . 5578 1 268 . 1 1 23 23 LEU HD23 H 1 0.33 0.02 . . . . . . . . . . 5578 1 269 . 1 1 23 23 LEU HB3 H 1 1.38 0.02 . . . . . . . . . . 5578 1 270 . 1 1 23 23 LEU C C 13 176.5 0.05 . . . . . . . . . . 5578 1 271 . 1 1 23 23 LEU CA C 13 53.8 0.05 . . . . . . . . . . 5578 1 272 . 1 1 23 23 LEU CB C 13 42.8 0.05 . . . . . . . . . . 5578 1 273 . 1 1 23 23 LEU CD1 C 13 25.2 0.05 . . . . . . . . . . 5578 1 274 . 1 1 23 23 LEU CD2 C 13 21.1 0.05 . . . . . . . . . . 5578 1 275 . 1 1 23 23 LEU CG C 13 25.2 0.05 . . . . . . . . . . 5578 1 276 . 1 1 23 23 LEU HA H 1 3.92 0.02 . . . . . . . . . . 5578 1 277 . 1 1 23 23 LEU HG H 1 1.09 0.02 . . . . . . . . . . 5578 1 278 . 1 1 23 23 LEU H H 1 6.70 0.02 . . . . . . . . . . 5578 1 279 . 1 1 23 23 LEU N N 15 116.9 0.05 . . . . . . . . . . 5578 1 280 . 1 1 24 24 ASP HB2 H 1 2.99 0.02 . . . . . . . . . . 5578 1 281 . 1 1 24 24 ASP HB3 H 1 2.82 0.02 . . . . . . . . . . 5578 1 282 . 1 1 24 24 ASP C C 13 175.9 0.05 . . . . . . . . . . 5578 1 283 . 1 1 24 24 ASP CA C 13 54.8 0.05 . . . . . . . . . . 5578 1 284 . 1 1 24 24 ASP CB C 13 40.4 0.05 . . . . . . . . . . 5578 1 285 . 1 1 24 24 ASP HA H 1 4.15 0.02 . . . . . . . . . . 5578 1 286 . 1 1 24 24 ASP H H 1 8.06 0.02 . . . . . . . . . . 5578 1 287 . 1 1 24 24 ASP N N 15 118.1 0.05 . . . . . . . . . . 5578 1 288 . 1 1 25 25 VAL HG11 H 1 0.74 0.02 . . . . . . . . . . 5578 1 289 . 1 1 25 25 VAL HG12 H 1 0.74 0.02 . . . . . . . . . . 5578 1 290 . 1 1 25 25 VAL HG13 H 1 0.74 0.02 . . . . . . . . . . 5578 1 291 . 1 1 25 25 VAL HG21 H 1 0.92 0.02 . . . . . . . . . . 5578 1 292 . 1 1 25 25 VAL HG22 H 1 0.92 0.02 . . . . . . . . . . 5578 1 293 . 1 1 25 25 VAL HG23 H 1 0.92 0.02 . . . . . . . . . . 5578 1 294 . 1 1 25 25 VAL C C 13 176.2 0.05 . . . . . . . . . . 5578 1 295 . 1 1 25 25 VAL CA C 13 63.6 0.05 . . . . . . . . . . 5578 1 296 . 1 1 25 25 VAL CB C 13 31.1 0.05 . . . . . . . . . . 5578 1 297 . 1 1 25 25 VAL CG1 C 13 22.8 0.05 . . . . . . . . . . 5578 1 298 . 1 1 25 25 VAL CG2 C 13 21.5 0.05 . . . . . . . . . . 5578 1 299 . 1 1 25 25 VAL HA H 1 3.70 0.02 . . . . . . . . . . 5578 1 300 . 1 1 25 25 VAL HB H 1 1.39 0.02 . . . . . . . . . . 5578 1 301 . 1 1 25 25 VAL H H 1 7.58 0.02 . . . . . . . . . . 5578 1 302 . 1 1 25 25 VAL N N 15 123.8 0.05 . . . . . . . . . . 5578 1 303 . 1 1 26 26 ASN HB2 H 1 3.00 0.02 . . . . . . . . . . 5578 1 304 . 1 1 26 26 ASN HD21 H 1 7.90 0.02 . . . . . . . . . . 5578 1 305 . 1 1 26 26 ASN HB3 H 1 2.73 0.02 . . . . . . . . . . 5578 1 306 . 1 1 26 26 ASN HD22 H 1 6.97 0.02 . . . . . . . . . . 5578 1 307 . 1 1 26 26 ASN C C 13 176.0 0.05 . . . . . . . . . . 5578 1 308 . 1 1 26 26 ASN CA C 13 54.3 0.05 . . . . . . . . . . 5578 1 309 . 1 1 26 26 ASN CB C 13 39.8 0.05 . . . . . . . . . . 5578 1 310 . 1 1 26 26 ASN HA H 1 4.36 0.02 . . . . . . . . . . 5578 1 311 . 1 1 26 26 ASN H H 1 8.67 0.02 . . . . . . . . . . 5578 1 312 . 1 1 26 26 ASN N N 15 130.3 0.05 . . . . . . . . . . 5578 1 313 . 1 1 26 26 ASN ND2 N 15 118.6 0.05 . . . . . . . . . . 5578 1 314 . 1 1 27 27 VAL HG11 H 1 1.01 0.02 . . . . . . . . . . 5578 1 315 . 1 1 27 27 VAL HG12 H 1 1.01 0.02 . . . . . . . . . . 5578 1 316 . 1 1 27 27 VAL HG13 H 1 1.01 0.02 . . . . . . . . . . 5578 1 317 . 1 1 27 27 VAL HG21 H 1 0.95 0.02 . . . . . . . . . . 5578 1 318 . 1 1 27 27 VAL HG22 H 1 0.95 0.02 . . . . . . . . . . 5578 1 319 . 1 1 27 27 VAL HG23 H 1 0.95 0.02 . . . . . . . . . . 5578 1 320 . 1 1 27 27 VAL C C 13 176.0 0.05 . . . . . . . . . . 5578 1 321 . 1 1 27 27 VAL CA C 13 66.3 0.05 . . . . . . . . . . 5578 1 322 . 1 1 27 27 VAL CB C 13 31.8 0.05 . . . . . . . . . . 5578 1 323 . 1 1 27 27 VAL CG1 C 13 21.9 0.05 . . . . . . . . . . 5578 1 324 . 1 1 27 27 VAL CG2 C 13 20.0 0.05 . . . . . . . . . . 5578 1 325 . 1 1 27 27 VAL HA H 1 3.48 0.02 . . . . . . . . . . 5578 1 326 . 1 1 27 27 VAL HB H 1 2.04 0.02 . . . . . . . . . . 5578 1 327 . 1 1 27 27 VAL H H 1 8.60 0.02 . . . . . . . . . . 5578 1 328 . 1 1 27 27 VAL N N 15 126.8 0.05 . . . . . . . . . . 5578 1 329 . 1 1 28 28 ALA HB1 H 1 1.41 0.02 . . . . . . . . . . 5578 1 330 . 1 1 28 28 ALA HB2 H 1 1.41 0.02 . . . . . . . . . . 5578 1 331 . 1 1 28 28 ALA HB3 H 1 1.41 0.02 . . . . . . . . . . 5578 1 332 . 1 1 28 28 ALA C C 13 180.7 0.05 . . . . . . . . . . 5578 1 333 . 1 1 28 28 ALA CA C 13 55.1 0.05 . . . . . . . . . . 5578 1 334 . 1 1 28 28 ALA CB C 13 17.8 0.05 . . . . . . . . . . 5578 1 335 . 1 1 28 28 ALA HA H 1 4.04 0.02 . . . . . . . . . . 5578 1 336 . 1 1 28 28 ALA H H 1 8.10 0.02 . . . . . . . . . . 5578 1 337 . 1 1 28 28 ALA N N 15 126.2 0.05 . . . . . . . . . . 5578 1 338 . 1 1 29 29 LEU HB2 H 1 1.75 0.02 . . . . . . . . . . 5578 1 339 . 1 1 29 29 LEU HD11 H 1 1.05 0.02 . . . . . . . . . . 5578 1 340 . 1 1 29 29 LEU HD12 H 1 1.05 0.02 . . . . . . . . . . 5578 1 341 . 1 1 29 29 LEU HD13 H 1 1.05 0.02 . . . . . . . . . . 5578 1 342 . 1 1 29 29 LEU HB3 H 1 1.55 0.02 . . . . . . . . . . 5578 1 343 . 1 1 29 29 LEU HD21 H 1 1.05 0.02 . . . . . . . . . . 5578 1 344 . 1 1 29 29 LEU HD22 H 1 1.05 0.02 . . . . . . . . . . 5578 1 345 . 1 1 29 29 LEU HD23 H 1 1.05 0.02 . . . . . . . . . . 5578 1 346 . 1 1 29 29 LEU C C 13 178.9 0.05 . . . . . . . . . . 5578 1 347 . 1 1 29 29 LEU CA C 13 56.3 0.05 . . . . . . . . . . 5578 1 348 . 1 1 29 29 LEU CB C 13 41.4 0.05 . . . . . . . . . . 5578 1 349 . 1 1 29 29 LEU CD1 C 13 23.6 0.05 . . . . . . . . . . 5578 1 350 . 1 1 29 29 LEU CD2 C 13 23.6 0.05 . . . . . . . . . . 5578 1 351 . 1 1 29 29 LEU CG C 13 25.9 0.05 . . . . . . . . . . 5578 1 352 . 1 1 29 29 LEU HA H 1 4.17 0.02 . . . . . . . . . . 5578 1 353 . 1 1 29 29 LEU HG H 1 1.03 0.02 . . . . . . . . . . 5578 1 354 . 1 1 29 29 LEU H H 1 7.54 0.02 . . . . . . . . . . 5578 1 355 . 1 1 29 29 LEU N N 15 122.2 0.05 . . . . . . . . . . 5578 1 356 . 1 1 30 30 ARG HB2 H 1 1.94 0.02 . . . . . . . . . . 5578 1 357 . 1 1 30 30 ARG HD2 H 1 3.08 0.02 . . . . . . . . . . 5578 1 358 . 1 1 30 30 ARG HG2 H 1 2.02 0.02 . . . . . . . . . . 5578 1 359 . 1 1 30 30 ARG HB3 H 1 1.94 0.02 . . . . . . . . . . 5578 1 360 . 1 1 30 30 ARG HD3 H 1 2.89 0.02 . . . . . . . . . . 5578 1 361 . 1 1 30 30 ARG HG3 H 1 2.02 0.02 . . . . . . . . . . 5578 1 362 . 1 1 30 30 ARG C C 13 178.2 0.05 . . . . . . . . . . 5578 1 363 . 1 1 30 30 ARG CA C 13 60.7 0.05 . . . . . . . . . . 5578 1 364 . 1 1 30 30 ARG CB C 13 29.8 0.05 . . . . . . . . . . 5578 1 365 . 1 1 30 30 ARG CD C 13 45.1 0.05 . . . . . . . . . . 5578 1 366 . 1 1 30 30 ARG CG C 13 28.5 0.05 . . . . . . . . . . 5578 1 367 . 1 1 30 30 ARG HA H 1 3.59 0.02 . . . . . . . . . . 5578 1 368 . 1 1 30 30 ARG H H 1 8.37 0.02 . . . . . . . . . . 5578 1 369 . 1 1 30 30 ARG N N 15 122.2 0.05 . . . . . . . . . . 5578 1 370 . 1 1 31 31 LYS HB2 H 1 1.86 0.02 . . . . . . . . . . 5578 1 371 . 1 1 31 31 LYS HD2 H 1 1.62 0.02 . . . . . . . . . . 5578 1 372 . 1 1 31 31 LYS HE2 H 1 2.90 0.02 . . . . . . . . . . 5578 1 373 . 1 1 31 31 LYS HG2 H 1 1.57 0.02 . . . . . . . . . . 5578 1 374 . 1 1 31 31 LYS HB3 H 1 1.82 0.02 . . . . . . . . . . 5578 1 375 . 1 1 31 31 LYS HD3 H 1 1.62 0.02 . . . . . . . . . . 5578 1 376 . 1 1 31 31 LYS HE3 H 1 2.90 0.02 . . . . . . . . . . 5578 1 377 . 1 1 31 31 LYS HG3 H 1 1.45 0.02 . . . . . . . . . . 5578 1 378 . 1 1 31 31 LYS C C 13 179.7 0.05 . . . . . . . . . . 5578 1 379 . 1 1 31 31 LYS CA C 13 58.9 0.05 . . . . . . . . . . 5578 1 380 . 1 1 31 31 LYS CB C 13 32.1 0.05 . . . . . . . . . . 5578 1 381 . 1 1 31 31 LYS CD C 13 28.9 0.05 . . . . . . . . . . 5578 1 382 . 1 1 31 31 LYS CE C 13 42.3 0.05 . . . . . . . . . . 5578 1 383 . 1 1 31 31 LYS CG C 13 25.0 0.05 . . . . . . . . . . 5578 1 384 . 1 1 31 31 LYS HA H 1 3.95 0.02 . . . . . . . . . . 5578 1 385 . 1 1 31 31 LYS H H 1 7.81 0.02 . . . . . . . . . . 5578 1 386 . 1 1 31 31 LYS N N 15 120.0 0.05 . . . . . . . . . . 5578 1 387 . 1 1 32 32 ILE HD11 H 1 0.54 0.02 . . . . . . . . . . 5578 1 388 . 1 1 32 32 ILE HD12 H 1 0.54 0.02 . . . . . . . . . . 5578 1 389 . 1 1 32 32 ILE HD13 H 1 0.54 0.02 . . . . . . . . . . 5578 1 390 . 1 1 32 32 ILE HG12 H 1 1.50 0.02 . . . . . . . . . . 5578 1 391 . 1 1 32 32 ILE HG21 H 1 0.08 0.02 . . . . . . . . . . 5578 1 392 . 1 1 32 32 ILE HG22 H 1 0.08 0.02 . . . . . . . . . . 5578 1 393 . 1 1 32 32 ILE HG23 H 1 0.08 0.02 . . . . . . . . . . 5578 1 394 . 1 1 32 32 ILE HG13 H 1 0.85 0.02 . . . . . . . . . . 5578 1 395 . 1 1 32 32 ILE C C 13 178.8 0.05 . . . . . . . . . . 5578 1 396 . 1 1 32 32 ILE CA C 13 63.9 0.05 . . . . . . . . . . 5578 1 397 . 1 1 32 32 ILE CB C 13 38.8 0.05 . . . . . . . . . . 5578 1 398 . 1 1 32 32 ILE CD1 C 13 13.3 0.05 . . . . . . . . . . 5578 1 399 . 1 1 32 32 ILE CG1 C 13 28.8 0.05 . . . . . . . . . . 5578 1 400 . 1 1 32 32 ILE CG2 C 13 15.5 0.05 . . . . . . . . . . 5578 1 401 . 1 1 32 32 ILE HA H 1 3.61 0.02 . . . . . . . . . . 5578 1 402 . 1 1 32 32 ILE HB H 1 1.59 0.02 . . . . . . . . . . 5578 1 403 . 1 1 32 32 ILE H H 1 7.00 0.02 . . . . . . . . . . 5578 1 404 . 1 1 32 32 ILE N N 15 121.3 0.05 . . . . . . . . . . 5578 1 405 . 1 1 33 33 ALA HB1 H 1 1.30 0.02 . . . . . . . . . . 5578 1 406 . 1 1 33 33 ALA HB2 H 1 1.30 0.02 . . . . . . . . . . 5578 1 407 . 1 1 33 33 ALA HB3 H 1 1.30 0.02 . . . . . . . . . . 5578 1 408 . 1 1 33 33 ALA C C 13 179.5 0.05 . . . . . . . . . . 5578 1 409 . 1 1 33 33 ALA CA C 13 54.8 0.05 . . . . . . . . . . 5578 1 410 . 1 1 33 33 ALA CB C 13 18.6 0.05 . . . . . . . . . . 5578 1 411 . 1 1 33 33 ALA HA H 1 3.89 0.02 . . . . . . . . . . 5578 1 412 . 1 1 33 33 ALA H H 1 8.70 0.02 . . . . . . . . . . 5578 1 413 . 1 1 33 33 ALA N N 15 124.3 0.05 . . . . . . . . . . 5578 1 414 . 1 1 34 34 ASN HB2 H 1 2.79 0.02 . . . . . . . . . . 5578 1 415 . 1 1 34 34 ASN HD21 H 1 7.43 0.02 . . . . . . . . . . 5578 1 416 . 1 1 34 34 ASN HB3 H 1 2.79 0.02 . . . . . . . . . . 5578 1 417 . 1 1 34 34 ASN HD22 H 1 6.95 0.02 . . . . . . . . . . 5578 1 418 . 1 1 34 34 ASN C C 13 176.1 0.05 . . . . . . . . . . 5578 1 419 . 1 1 34 34 ASN CA C 13 55.3 0.05 . . . . . . . . . . 5578 1 420 . 1 1 34 34 ASN CB C 13 39.3 0.05 . . . . . . . . . . 5578 1 421 . 1 1 34 34 ASN HA H 1 4.68 0.02 . . . . . . . . . . 5578 1 422 . 1 1 34 34 ASN H H 1 8.02 0.02 . . . . . . . . . . 5578 1 423 . 1 1 34 34 ASN N N 15 116.6 0.05 . . . . . . . . . . 5578 1 424 . 1 1 34 34 ASN ND2 N 15 116.2 0.05 . . . . . . . . . . 5578 1 425 . 1 1 35 35 LEU HB2 H 1 1.82 0.02 . . . . . . . . . . 5578 1 426 . 1 1 35 35 LEU HD11 H 1 0.91 0.02 . . . . . . . . . . 5578 1 427 . 1 1 35 35 LEU HD12 H 1 0.91 0.02 . . . . . . . . . . 5578 1 428 . 1 1 35 35 LEU HD13 H 1 0.91 0.02 . . . . . . . . . . 5578 1 429 . 1 1 35 35 LEU HD21 H 1 0.86 0.02 . . . . . . . . . . 5578 1 430 . 1 1 35 35 LEU HD22 H 1 0.86 0.02 . . . . . . . . . . 5578 1 431 . 1 1 35 35 LEU HD23 H 1 0.86 0.02 . . . . . . . . . . 5578 1 432 . 1 1 35 35 LEU HB3 H 1 1.68 0.02 . . . . . . . . . . 5578 1 433 . 1 1 35 35 LEU C C 13 178.0 0.05 . . . . . . . . . . 5578 1 434 . 1 1 35 35 LEU CA C 13 54.7 0.05 . . . . . . . . . . 5578 1 435 . 1 1 35 35 LEU CB C 13 42.7 0.05 . . . . . . . . . . 5578 1 436 . 1 1 35 35 LEU CD1 C 13 25.5 0.05 . . . . . . . . . . 5578 1 437 . 1 1 35 35 LEU CD2 C 13 22.7 0.05 . . . . . . . . . . 5578 1 438 . 1 1 35 35 LEU CG C 13 26.7 0.05 . . . . . . . . . . 5578 1 439 . 1 1 35 35 LEU HA H 1 4.41 0.02 . . . . . . . . . . 5578 1 440 . 1 1 35 35 LEU HG H 1 1.76 0.02 . . . . . . . . . . 5578 1 441 . 1 1 35 35 LEU H H 1 7.38 0.02 . . . . . . . . . . 5578 1 442 . 1 1 35 35 LEU N N 15 120.0 0.05 . . . . . . . . . . 5578 1 443 . 1 1 36 36 LEU HB2 H 1 1.97 0.02 . . . . . . . . . . 5578 1 444 . 1 1 36 36 LEU HD11 H 1 0.88 0.02 . . . . . . . . . . 5578 1 445 . 1 1 36 36 LEU HD12 H 1 0.88 0.02 . . . . . . . . . . 5578 1 446 . 1 1 36 36 LEU HD13 H 1 0.88 0.02 . . . . . . . . . . 5578 1 447 . 1 1 36 36 LEU HD21 H 1 0.88 0.02 . . . . . . . . . . 5578 1 448 . 1 1 36 36 LEU HD22 H 1 0.88 0.02 . . . . . . . . . . 5578 1 449 . 1 1 36 36 LEU HD23 H 1 0.88 0.02 . . . . . . . . . . 5578 1 450 . 1 1 36 36 LEU HB3 H 1 1.37 0.02 . . . . . . . . . . 5578 1 451 . 1 1 36 36 LEU C C 13 176.9 0.05 . . . . . . . . . . 5578 1 452 . 1 1 36 36 LEU CA C 13 54.7 0.05 . . . . . . . . . . 5578 1 453 . 1 1 36 36 LEU CB C 13 43.6 0.05 . . . . . . . . . . 5578 1 454 . 1 1 36 36 LEU CD1 C 13 22.1 0.05 . . . . . . . . . . 5578 1 455 . 1 1 36 36 LEU CD2 C 13 22.1 0.05 . . . . . . . . . . 5578 1 456 . 1 1 36 36 LEU CG C 13 27.1 0.05 . . . . . . . . . . 5578 1 457 . 1 1 36 36 LEU HA H 1 4.33 0.02 . . . . . . . . . . 5578 1 458 . 1 1 36 36 LEU HG H 1 1.02 0.02 . . . . . . . . . . 5578 1 459 . 1 1 36 36 LEU H H 1 7.26 0.02 . . . . . . . . . . 5578 1 460 . 1 1 36 36 LEU N N 15 122.1 0.05 . . . . . . . . . . 5578 1 461 . 1 1 37 37 LYS HB2 H 1 1.98 0.02 . . . . . . . . . . 5578 1 462 . 1 1 37 37 LYS HD2 H 1 1.57 0.02 . . . . . . . . . . 5578 1 463 . 1 1 37 37 LYS HG2 H 1 1.49 0.02 . . . . . . . . . . 5578 1 464 . 1 1 37 37 LYS HB3 H 1 1.98 0.02 . . . . . . . . . . 5578 1 465 . 1 1 37 37 LYS HD3 H 1 1.45 0.02 . . . . . . . . . . 5578 1 466 . 1 1 37 37 LYS HG3 H 1 1.49 0.02 . . . . . . . . . . 5578 1 467 . 1 1 37 37 LYS C C 13 173.5 0.05 . . . . . . . . . . 5578 1 468 . 1 1 37 37 LYS CA C 13 53.8 0.05 . . . . . . . . . . 5578 1 469 . 1 1 37 37 LYS CB C 13 32.5 0.05 . . . . . . . . . . 5578 1 470 . 1 1 37 37 LYS CD C 13 29.1 0.05 . . . . . . . . . . 5578 1 471 . 1 1 37 37 LYS CG C 13 24.9 0.05 . . . . . . . . . . 5578 1 472 . 1 1 37 37 LYS HA H 1 4.84 0.02 . . . . . . . . . . 5578 1 473 . 1 1 37 37 LYS H H 1 8.43 0.02 . . . . . . . . . . 5578 1 474 . 1 1 37 37 LYS N N 15 123.3 0.05 . . . . . . . . . . 5578 1 475 . 1 1 38 38 PRO HB2 H 1 1.90 0.02 . . . . . . . . . . 5578 1 476 . 1 1 38 38 PRO HD2 H 1 3.38 0.02 . . . . . . . . . . 5578 1 477 . 1 1 38 38 PRO HG2 H 1 1.74 0.02 . . . . . . . . . . 5578 1 478 . 1 1 38 38 PRO HB3 H 1 1.73 0.02 . . . . . . . . . . 5578 1 479 . 1 1 38 38 PRO HD3 H 1 3.19 0.02 . . . . . . . . . . 5578 1 480 . 1 1 38 38 PRO HG3 H 1 1.50 0.02 . . . . . . . . . . 5578 1 481 . 1 1 38 38 PRO C C 13 174.2 0.05 . . . . . . . . . . 5578 1 482 . 1 1 38 38 PRO CA C 13 62.9 0.05 . . . . . . . . . . 5578 1 483 . 1 1 38 38 PRO CB C 13 33.1 0.05 . . . . . . . . . . 5578 1 484 . 1 1 38 38 PRO CD C 13 50.1 0.05 . . . . . . . . . . 5578 1 485 . 1 1 38 38 PRO CG C 13 26.9 0.05 . . . . . . . . . . 5578 1 486 . 1 1 38 38 PRO HA H 1 4.79 0.02 . . . . . . . . . . 5578 1 487 . 1 1 39 39 ASP HB2 H 1 2.69 0.02 . . . . . . . . . . 5578 1 488 . 1 1 39 39 ASP HB3 H 1 2.41 0.02 . . . . . . . . . . 5578 1 489 . 1 1 39 39 ASP C C 13 176.5 0.05 . . . . . . . . . . 5578 1 490 . 1 1 39 39 ASP CA C 13 52.2 0.05 . . . . . . . . . . 5578 1 491 . 1 1 39 39 ASP CB C 13 44.2 0.05 . . . . . . . . . . 5578 1 492 . 1 1 39 39 ASP HA H 1 5.45 0.02 . . . . . . . . . . 5578 1 493 . 1 1 39 39 ASP H H 1 8.30 0.02 . . . . . . . . . . 5578 1 494 . 1 1 39 39 ASP N N 15 120.0 0.05 . . . . . . . . . . 5578 1 495 . 1 1 40 40 LYS HB2 H 1 1.04 0.02 . . . . . . . . . . 5578 1 496 . 1 1 40 40 LYS HD2 H 1 1.16 0.02 . . . . . . . . . . 5578 1 497 . 1 1 40 40 LYS HE2 H 1 2.33 0.02 . . . . . . . . . . 5578 1 498 . 1 1 40 40 LYS HG2 H 1 0.11 0.02 . . . . . . . . . . 5578 1 499 . 1 1 40 40 LYS HB3 H 1 0.72 0.02 . . . . . . . . . . 5578 1 500 . 1 1 40 40 LYS HD3 H 1 0.30 0.02 . . . . . . . . . . 5578 1 501 . 1 1 40 40 LYS HE3 H 1 2.33 0.02 . . . . . . . . . . 5578 1 502 . 1 1 40 40 LYS HG3 H 1 -0.23 0.02 . . . . . . . . . . 5578 1 503 . 1 1 40 40 LYS C C 13 174.2 0.05 . . . . . . . . . . 5578 1 504 . 1 1 40 40 LYS CA C 13 52.3 0.05 . . . . . . . . . . 5578 1 505 . 1 1 40 40 LYS CB C 13 35.1 0.05 . . . . . . . . . . 5578 1 506 . 1 1 40 40 LYS CD C 13 28.3 0.05 . . . . . . . . . . 5578 1 507 . 1 1 40 40 LYS CE C 13 42.0 0.05 . . . . . . . . . . 5578 1 508 . 1 1 40 40 LYS CG C 13 22.6 0.05 . . . . . . . . . . 5578 1 509 . 1 1 40 40 LYS HA H 1 5.21 0.02 . . . . . . . . . . 5578 1 510 . 1 1 40 40 LYS H H 1 8.57 0.02 . . . . . . . . . . 5578 1 511 . 1 1 40 40 LYS N N 15 119.5 0.05 . . . . . . . . . . 5578 1 512 . 1 1 41 41 GLU HB2 H 1 1.79 0.02 . . . . . . . . . . 5578 1 513 . 1 1 41 41 GLU HG2 H 1 2.22 0.02 . . . . . . . . . . 5578 1 514 . 1 1 41 41 GLU HB3 H 1 2.06 0.02 . . . . . . . . . . 5578 1 515 . 1 1 41 41 GLU HG3 H 1 1.91 0.02 . . . . . . . . . . 5578 1 516 . 1 1 41 41 GLU C C 13 175.1 0.05 . . . . . . . . . . 5578 1 517 . 1 1 41 41 GLU CA C 13 55.2 0.05 . . . . . . . . . . 5578 1 518 . 1 1 41 41 GLU CB C 13 33.8 0.05 . . . . . . . . . . 5578 1 519 . 1 1 41 41 GLU CG C 13 37.5 0.05 . . . . . . . . . . 5578 1 520 . 1 1 41 41 GLU HA H 1 5.15 0.02 . . . . . . . . . . 5578 1 521 . 1 1 41 41 GLU H H 1 8.96 0.02 . . . . . . . . . . 5578 1 522 . 1 1 41 41 GLU N N 15 127.6 0.05 . . . . . . . . . . 5578 1 523 . 1 1 42 42 ILE HD11 H 1 0.36 0.02 . . . . . . . . . . 5578 1 524 . 1 1 42 42 ILE HD12 H 1 0.36 0.02 . . . . . . . . . . 5578 1 525 . 1 1 42 42 ILE HD13 H 1 0.36 0.02 . . . . . . . . . . 5578 1 526 . 1 1 42 42 ILE HG12 H 1 1.45 0.02 . . . . . . . . . . 5578 1 527 . 1 1 42 42 ILE HG21 H 1 0.64 0.02 . . . . . . . . . . 5578 1 528 . 1 1 42 42 ILE HG22 H 1 0.64 0.02 . . . . . . . . . . 5578 1 529 . 1 1 42 42 ILE HG23 H 1 0.64 0.02 . . . . . . . . . . 5578 1 530 . 1 1 42 42 ILE HG13 H 1 0.84 0.02 . . . . . . . . . . 5578 1 531 . 1 1 42 42 ILE C C 13 175.4 0.05 . . . . . . . . . . 5578 1 532 . 1 1 42 42 ILE CA C 13 59.8 0.05 . . . . . . . . . . 5578 1 533 . 1 1 42 42 ILE CB C 13 39.8 0.05 . . . . . . . . . . 5578 1 534 . 1 1 42 42 ILE CD1 C 13 13.7 0.05 . . . . . . . . . . 5578 1 535 . 1 1 42 42 ILE CG1 C 13 28.6 0.05 . . . . . . . . . . 5578 1 536 . 1 1 42 42 ILE CG2 C 13 16.8 0.05 . . . . . . . . . . 5578 1 537 . 1 1 42 42 ILE HA H 1 5.22 0.02 . . . . . . . . . . 5578 1 538 . 1 1 42 42 ILE HB H 1 2.25 0.02 . . . . . . . . . . 5578 1 539 . 1 1 42 42 ILE H H 1 9.38 0.02 . . . . . . . . . . 5578 1 540 . 1 1 42 42 ILE N N 15 130.9 0.05 . . . . . . . . . . 5578 1 541 . 1 1 43 43 VAL HG11 H 1 0.87 0.02 . . . . . . . . . . 5578 1 542 . 1 1 43 43 VAL HG12 H 1 0.87 0.02 . . . . . . . . . . 5578 1 543 . 1 1 43 43 VAL HG13 H 1 0.87 0.02 . . . . . . . . . . 5578 1 544 . 1 1 43 43 VAL HG21 H 1 0.87 0.02 . . . . . . . . . . 5578 1 545 . 1 1 43 43 VAL HG22 H 1 0.87 0.02 . . . . . . . . . . 5578 1 546 . 1 1 43 43 VAL HG23 H 1 0.87 0.02 . . . . . . . . . . 5578 1 547 . 1 1 43 43 VAL C C 13 174.3 0.05 . . . . . . . . . . 5578 1 548 . 1 1 43 43 VAL CA C 13 61.3 0.05 . . . . . . . . . . 5578 1 549 . 1 1 43 43 VAL CB C 13 33.7 0.05 . . . . . . . . . . 5578 1 550 . 1 1 43 43 VAL CG1 C 13 20.4 0.05 . . . . . . . . . . 5578 1 551 . 1 1 43 43 VAL CG2 C 13 20.4 0.05 . . . . . . . . . . 5578 1 552 . 1 1 43 43 VAL HA H 1 4.52 0.02 . . . . . . . . . . 5578 1 553 . 1 1 43 43 VAL HB H 1 1.80 0.02 . . . . . . . . . . 5578 1 554 . 1 1 43 43 VAL H H 1 8.93 0.02 . . . . . . . . . . 5578 1 555 . 1 1 43 43 VAL N N 15 132.5 0.05 . . . . . . . . . . 5578 1 556 . 1 1 44 44 GLN HB2 H 1 1.73 0.02 . . . . . . . . . . 5578 1 557 . 1 1 44 44 GLN HE21 H 1 8.05 0.02 . . . . . . . . . . 5578 1 558 . 1 1 44 44 GLN HG2 H 1 2.43 0.02 . . . . . . . . . . 5578 1 559 . 1 1 44 44 GLN HB3 H 1 1.73 0.02 . . . . . . . . . . 5578 1 560 . 1 1 44 44 GLN HE22 H 1 7.50 0.02 . . . . . . . . . . 5578 1 561 . 1 1 44 44 GLN HG3 H 1 2.43 0.02 . . . . . . . . . . 5578 1 562 . 1 1 44 44 GLN C C 13 174.1 0.05 . . . . . . . . . . 5578 1 563 . 1 1 44 44 GLN CA C 13 54.1 0.05 . . . . . . . . . . 5578 1 564 . 1 1 44 44 GLN CB C 13 31.6 0.05 . . . . . . . . . . 5578 1 565 . 1 1 44 44 GLN CG C 13 32.1 0.05 . . . . . . . . . . 5578 1 566 . 1 1 44 44 GLN HA H 1 4.92 0.02 . . . . . . . . . . 5578 1 567 . 1 1 44 44 GLN H H 1 9.36 0.02 . . . . . . . . . . 5578 1 568 . 1 1 44 44 GLN N N 15 135.6 0.05 . . . . . . . . . . 5578 1 569 . 1 1 44 44 GLN NE2 N 15 110.9 0.05 . . . . . . . . . . 5578 1 570 . 1 1 45 45 ASP HB2 H 1 2.50 0.02 . . . . . . . . . . 5578 1 571 . 1 1 45 45 ASP HB3 H 1 2.77 0.02 . . . . . . . . . . 5578 1 572 . 1 1 45 45 ASP C C 13 176.2 0.05 . . . . . . . . . . 5578 1 573 . 1 1 45 45 ASP CA C 13 52.6 0.05 . . . . . . . . . . 5578 1 574 . 1 1 45 45 ASP CB C 13 41.8 0.05 . . . . . . . . . . 5578 1 575 . 1 1 45 45 ASP HA H 1 4.93 0.02 . . . . . . . . . . 5578 1 576 . 1 1 45 45 ASP H H 1 8.80 0.02 . . . . . . . . . . 5578 1 577 . 1 1 45 45 ASP N N 15 131.9 0.05 . . . . . . . . . . 5578 1 578 . 1 1 46 46 GLY HA2 H 1 4.11 0.02 . . . . . . . . . . 5578 1 579 . 1 1 46 46 GLY HA3 H 1 3.76 0.02 . . . . . . . . . . 5578 1 580 . 1 1 46 46 GLY C C 13 174.7 0.05 . . . . . . . . . . 5578 1 581 . 1 1 46 46 GLY CA C 13 47.3 0.05 . . . . . . . . . . 5578 1 582 . 1 1 46 46 GLY H H 1 9.17 0.02 . . . . . . . . . . 5578 1 583 . 1 1 46 46 GLY N N 15 119.9 0.05 . . . . . . . . . . 5578 1 584 . 1 1 47 47 ASP HB2 H 1 3.13 0.02 . . . . . . . . . . 5578 1 585 . 1 1 47 47 ASP HB3 H 1 2.79 0.02 . . . . . . . . . . 5578 1 586 . 1 1 47 47 ASP C C 13 175.3 0.05 . . . . . . . . . . 5578 1 587 . 1 1 47 47 ASP CA C 13 54.2 0.05 . . . . . . . . . . 5578 1 588 . 1 1 47 47 ASP CB C 13 41.4 0.05 . . . . . . . . . . 5578 1 589 . 1 1 47 47 ASP HA H 1 4.95 0.02 . . . . . . . . . . 5578 1 590 . 1 1 47 47 ASP H H 1 8.88 0.02 . . . . . . . . . . 5578 1 591 . 1 1 47 47 ASP N N 15 129.0 0.05 . . . . . . . . . . 5578 1 592 . 1 1 48 48 HIS HB2 H 1 3.55 0.02 . . . . . . . . . . 5578 1 593 . 1 1 48 48 HIS HB3 H 1 3.16 0.02 . . . . . . . . . . 5578 1 594 . 1 1 48 48 HIS C C 13 173.5 0.05 . . . . . . . . . . 5578 1 595 . 1 1 48 48 HIS CA C 13 53.8 0.05 . . . . . . . . . . 5578 1 596 . 1 1 48 48 HIS CB C 13 29.7 0.05 . . . . . . . . . . 5578 1 597 . 1 1 48 48 HIS HA H 1 5.07 0.02 . . . . . . . . . . 5578 1 598 . 1 1 48 48 HIS HD2 H 1 6.63 0.02 . . . . . . . . . . 5578 1 599 . 1 1 48 48 HIS HE1 H 1 7.17 0.02 . . . . . . . . . . 5578 1 600 . 1 1 48 48 HIS H H 1 8.30 0.02 . . . . . . . . . . 5578 1 601 . 1 1 48 48 HIS N N 15 123.3 0.05 . . . . . . . . . . 5578 1 602 . 1 1 49 49 MET HB2 H 1 1.08 0.02 . . . . . . . . . . 5578 1 603 . 1 1 49 49 MET HG2 H 1 1.08 0.02 . . . . . . . . . . 5578 1 604 . 1 1 49 49 MET HB3 H 1 0.98 0.02 . . . . . . . . . . 5578 1 605 . 1 1 49 49 MET HG3 H 1 0.98 0.02 . . . . . . . . . . 5578 1 606 . 1 1 49 49 MET C C 13 171.8 0.05 . . . . . . . . . . 5578 1 607 . 1 1 49 49 MET CA C 13 54.2 0.05 . . . . . . . . . . 5578 1 608 . 1 1 49 49 MET CB C 13 35.8 0.05 . . . . . . . . . . 5578 1 609 . 1 1 49 49 MET CG C 13 32.9 0.05 . . . . . . . . . . 5578 1 610 . 1 1 49 49 MET HA H 1 4.77 0.02 . . . . . . . . . . 5578 1 611 . 1 1 49 49 MET H H 1 8.62 0.02 . . . . . . . . . . 5578 1 612 . 1 1 49 49 MET N N 15 132.4 0.05 . . . . . . . . . . 5578 1 613 . 1 1 50 50 ILE HD11 H 1 0.63 0.02 . . . . . . . . . . 5578 1 614 . 1 1 50 50 ILE HD12 H 1 0.63 0.02 . . . . . . . . . . 5578 1 615 . 1 1 50 50 ILE HD13 H 1 0.63 0.02 . . . . . . . . . . 5578 1 616 . 1 1 50 50 ILE HG12 H 1 0.72 0.02 . . . . . . . . . . 5578 1 617 . 1 1 50 50 ILE HG21 H 1 0.73 0.02 . . . . . . . . . . 5578 1 618 . 1 1 50 50 ILE HG22 H 1 0.73 0.02 . . . . . . . . . . 5578 1 619 . 1 1 50 50 ILE HG23 H 1 0.73 0.02 . . . . . . . . . . 5578 1 620 . 1 1 50 50 ILE HG13 H 1 0.72 0.02 . . . . . . . . . . 5578 1 621 . 1 1 50 50 ILE C C 13 176.7 0.05 . . . . . . . . . . 5578 1 622 . 1 1 50 50 ILE CA C 13 59.5 0.05 . . . . . . . . . . 5578 1 623 . 1 1 50 50 ILE CB C 13 40.7 0.05 . . . . . . . . . . 5578 1 624 . 1 1 50 50 ILE CD1 C 13 13.9 0.05 . . . . . . . . . . 5578 1 625 . 1 1 50 50 ILE CG1 C 13 27.0 0.05 . . . . . . . . . . 5578 1 626 . 1 1 50 50 ILE CG2 C 13 17.2 0.05 . . . . . . . . . . 5578 1 627 . 1 1 50 50 ILE HA H 1 4.77 0.02 . . . . . . . . . . 5578 1 628 . 1 1 50 50 ILE HB H 1 1.46 0.02 . . . . . . . . . . 5578 1 629 . 1 1 50 50 ILE H H 1 8.42 0.02 . . . . . . . . . . 5578 1 630 . 1 1 50 50 ILE N N 15 125.2 0.05 . . . . . . . . . . 5578 1 631 . 1 1 51 51 ILE HD11 H 1 0.91 0.02 . . . . . . . . . . 5578 1 632 . 1 1 51 51 ILE HD12 H 1 0.91 0.02 . . . . . . . . . . 5578 1 633 . 1 1 51 51 ILE HD13 H 1 0.91 0.02 . . . . . . . . . . 5578 1 634 . 1 1 51 51 ILE HG12 H 1 0.72 0.02 . . . . . . . . . . 5578 1 635 . 1 1 51 51 ILE HG21 H 1 0.52 0.02 . . . . . . . . . . 5578 1 636 . 1 1 51 51 ILE HG22 H 1 0.52 0.02 . . . . . . . . . . 5578 1 637 . 1 1 51 51 ILE HG23 H 1 0.52 0.02 . . . . . . . . . . 5578 1 638 . 1 1 51 51 ILE HG13 H 1 0.72 0.02 . . . . . . . . . . 5578 1 639 . 1 1 51 51 ILE C C 13 176.6 0.05 . . . . . . . . . . 5578 1 640 . 1 1 51 51 ILE CA C 13 60.7 0.05 . . . . . . . . . . 5578 1 641 . 1 1 51 51 ILE CB C 13 40.5 0.05 . . . . . . . . . . 5578 1 642 . 1 1 51 51 ILE CD1 C 13 13.5 0.05 . . . . . . . . . . 5578 1 643 . 1 1 51 51 ILE CG1 C 13 26.6 0.05 . . . . . . . . . . 5578 1 644 . 1 1 51 51 ILE CG2 C 13 15.8 0.05 . . . . . . . . . . 5578 1 645 . 1 1 51 51 ILE HA H 1 4.46 0.02 . . . . . . . . . . 5578 1 646 . 1 1 51 51 ILE HB H 1 1.76 0.02 . . . . . . . . . . 5578 1 647 . 1 1 51 51 ILE H H 1 8.74 0.02 . . . . . . . . . . 5578 1 648 . 1 1 51 51 ILE N N 15 125.8 0.05 . . . . . . . . . . 5578 1 649 . 1 1 52 52 ARG HB2 H 1 1.46 0.02 . . . . . . . . . . 5578 1 650 . 1 1 52 52 ARG HD2 H 1 3.09 0.02 . . . . . . . . . . 5578 1 651 . 1 1 52 52 ARG HG2 H 1 1.73 0.02 . . . . . . . . . . 5578 1 652 . 1 1 52 52 ARG HB3 H 1 1.46 0.02 . . . . . . . . . . 5578 1 653 . 1 1 52 52 ARG HD3 H 1 3.07 0.02 . . . . . . . . . . 5578 1 654 . 1 1 52 52 ARG HG3 H 1 1.73 0.02 . . . . . . . . . . 5578 1 655 . 1 1 52 52 ARG C C 13 174.3 0.05 . . . . . . . . . . 5578 1 656 . 1 1 52 52 ARG CA C 13 55.5 0.05 . . . . . . . . . . 5578 1 657 . 1 1 52 52 ARG CB C 13 29.8 0.05 . . . . . . . . . . 5578 1 658 . 1 1 52 52 ARG CD C 13 42.9 0.05 . . . . . . . . . . 5578 1 659 . 1 1 52 52 ARG CG C 13 28.4 0.05 . . . . . . . . . . 5578 1 660 . 1 1 52 52 ARG HA H 1 4.63 0.02 . . . . . . . . . . 5578 1 661 . 1 1 52 52 ARG H H 1 9.96 0.02 . . . . . . . . . . 5578 1 662 . 1 1 52 52 ARG N N 15 135.0 0.05 . . . . . . . . . . 5578 1 663 . 1 1 53 53 THR HG21 H 1 1.13 0.02 . . . . . . . . . . 5578 1 664 . 1 1 53 53 THR HG22 H 1 1.13 0.02 . . . . . . . . . . 5578 1 665 . 1 1 53 53 THR HG23 H 1 1.13 0.02 . . . . . . . . . . 5578 1 666 . 1 1 53 53 THR C C 13 173.5 0.05 . . . . . . . . . . 5578 1 667 . 1 1 53 53 THR CA C 13 63.2 0.05 . . . . . . . . . . 5578 1 668 . 1 1 53 53 THR CB C 13 68.7 0.05 . . . . . . . . . . 5578 1 669 . 1 1 53 53 THR CG2 C 13 20.8 0.05 . . . . . . . . . . 5578 1 670 . 1 1 53 53 THR HA H 1 4.93 0.02 . . . . . . . . . . 5578 1 671 . 1 1 53 53 THR HB H 1 4.64 0.02 . . . . . . . . . . 5578 1 672 . 1 1 53 53 THR H H 1 8.70 0.02 . . . . . . . . . . 5578 1 673 . 1 1 53 53 THR N N 15 126.9 0.05 . . . . . . . . . . 5578 1 674 . 1 1 54 54 LEU HB2 H 1 1.52 0.02 . . . . . . . . . . 5578 1 675 . 1 1 54 54 LEU HD11 H 1 0.91 0.02 . . . . . . . . . . 5578 1 676 . 1 1 54 54 LEU HD12 H 1 0.91 0.02 . . . . . . . . . . 5578 1 677 . 1 1 54 54 LEU HD13 H 1 0.91 0.02 . . . . . . . . . . 5578 1 678 . 1 1 54 54 LEU HD21 H 1 0.70 0.02 . . . . . . . . . . 5578 1 679 . 1 1 54 54 LEU HD22 H 1 0.70 0.02 . . . . . . . . . . 5578 1 680 . 1 1 54 54 LEU HD23 H 1 0.70 0.02 . . . . . . . . . . 5578 1 681 . 1 1 54 54 LEU HB3 H 1 1.52 0.02 . . . . . . . . . . 5578 1 682 . 1 1 54 54 LEU C C 13 176.5 0.05 . . . . . . . . . . 5578 1 683 . 1 1 54 54 LEU CA C 13 53.3 0.05 . . . . . . . . . . 5578 1 684 . 1 1 54 54 LEU CB C 13 44.7 0.05 . . . . . . . . . . 5578 1 685 . 1 1 54 54 LEU CD1 C 13 26.5 0.05 . . . . . . . . . . 5578 1 686 . 1 1 54 54 LEU CD2 C 13 23.4 0.05 . . . . . . . . . . 5578 1 687 . 1 1 54 54 LEU CG C 13 26.3 0.05 . . . . . . . . . . 5578 1 688 . 1 1 54 54 LEU HA H 1 5.15 0.02 . . . . . . . . . . 5578 1 689 . 1 1 54 54 LEU HG H 1 1.35 0.02 . . . . . . . . . . 5578 1 690 . 1 1 54 54 LEU H H 1 8.79 0.02 . . . . . . . . . . 5578 1 691 . 1 1 54 54 LEU N N 15 131.4 0.05 . . . . . . . . . . 5578 1 692 . 1 1 55 55 SER HB2 H 1 4.38 0.02 . . . . . . . . . . 5578 1 693 . 1 1 55 55 SER HB3 H 1 3.95 0.02 . . . . . . . . . . 5578 1 694 . 1 1 55 55 SER C C 13 173.5 0.05 . . . . . . . . . . 5578 1 695 . 1 1 55 55 SER CA C 13 58.1 0.05 . . . . . . . . . . 5578 1 696 . 1 1 55 55 SER CB C 13 68.7 0.05 . . . . . . . . . . 5578 1 697 . 1 1 55 55 SER HA H 1 5.06 0.02 . . . . . . . . . . 5578 1 698 . 1 1 55 55 SER H H 1 8.67 0.02 . . . . . . . . . . 5578 1 699 . 1 1 55 55 SER N N 15 118.3 0.05 . . . . . . . . . . 5578 1 700 . 1 1 56 56 THR HG21 H 1 1.35 0.02 . . . . . . . . . . 5578 1 701 . 1 1 56 56 THR HG22 H 1 1.35 0.02 . . . . . . . . . . 5578 1 702 . 1 1 56 56 THR HG23 H 1 1.35 0.02 . . . . . . . . . . 5578 1 703 . 1 1 56 56 THR C C 13 174.8 0.05 . . . . . . . . . . 5578 1 704 . 1 1 56 56 THR CA C 13 63.6 0.05 . . . . . . . . . . 5578 1 705 . 1 1 56 56 THR CB C 13 68.5 0.05 . . . . . . . . . . 5578 1 706 . 1 1 56 56 THR CG2 C 13 22.2 0.05 . . . . . . . . . . 5578 1 707 . 1 1 56 56 THR HA H 1 4.13 0.02 . . . . . . . . . . 5578 1 708 . 1 1 56 56 THR HB H 1 4.36 0.02 . . . . . . . . . . 5578 1 709 . 1 1 56 56 THR H H 1 8.49 0.02 . . . . . . . . . . 5578 1 710 . 1 1 56 56 THR N N 15 113.5 0.05 . . . . . . . . . . 5578 1 711 . 1 1 57 57 PHE HB2 H 1 2.86 0.02 . . . . . . . . . . 5578 1 712 . 1 1 57 57 PHE HB3 H 1 2.86 0.02 . . . . . . . . . . 5578 1 713 . 1 1 57 57 PHE C C 13 174.5 0.05 . . . . . . . . . . 5578 1 714 . 1 1 57 57 PHE CA C 13 59.3 0.05 . . . . . . . . . . 5578 1 715 . 1 1 57 57 PHE CB C 13 42.6 0.05 . . . . . . . . . . 5578 1 716 . 1 1 57 57 PHE HA H 1 4.58 0.02 . . . . . . . . . . 5578 1 717 . 1 1 57 57 PHE HD1 H 1 6.98 0.02 . . . . . . . . . . 5578 1 718 . 1 1 57 57 PHE HD2 H 1 6.98 0.02 . . . . . . . . . . 5578 1 719 . 1 1 57 57 PHE HE1 H 1 7.12 0.02 . . . . . . . . . . 5578 1 720 . 1 1 57 57 PHE HE2 H 1 7.12 0.02 . . . . . . . . . . 5578 1 721 . 1 1 57 57 PHE H H 1 7.45 0.02 . . . . . . . . . . 5578 1 722 . 1 1 57 57 PHE N N 15 123.7 0.05 . . . . . . . . . . 5578 1 723 . 1 1 58 58 ARG HB2 H 1 1.77 0.02 . . . . . . . . . . 5578 1 724 . 1 1 58 58 ARG HD2 H 1 3.35 0.02 . . . . . . . . . . 5578 1 725 . 1 1 58 58 ARG HG2 H 1 1.71 0.02 . . . . . . . . . . 5578 1 726 . 1 1 58 58 ARG HB3 H 1 1.55 0.02 . . . . . . . . . . 5578 1 727 . 1 1 58 58 ARG HD3 H 1 3.15 0.02 . . . . . . . . . . 5578 1 728 . 1 1 58 58 ARG HG3 H 1 1.48 0.02 . . . . . . . . . . 5578 1 729 . 1 1 58 58 ARG C C 13 173.4 0.05 . . . . . . . . . . 5578 1 730 . 1 1 58 58 ARG CA C 13 56.4 0.05 . . . . . . . . . . 5578 1 731 . 1 1 58 58 ARG CB C 13 33.8 0.05 . . . . . . . . . . 5578 1 732 . 1 1 58 58 ARG CD C 13 43.9 0.05 . . . . . . . . . . 5578 1 733 . 1 1 58 58 ARG CG C 13 27.0 0.05 . . . . . . . . . . 5578 1 734 . 1 1 58 58 ARG HA H 1 4.22 0.02 . . . . . . . . . . 5578 1 735 . 1 1 58 58 ARG H H 1 6.96 0.02 . . . . . . . . . . 5578 1 736 . 1 1 58 58 ARG N N 15 119.0 0.05 . . . . . . . . . . 5578 1 737 . 1 1 59 59 ASN HB2 H 1 2.76 0.02 . . . . . . . . . . 5578 1 738 . 1 1 59 59 ASN HD21 H 1 7.46 0.02 . . . . . . . . . . 5578 1 739 . 1 1 59 59 ASN HB3 H 1 2.60 0.02 . . . . . . . . . . 5578 1 740 . 1 1 59 59 ASN HD22 H 1 6.57 0.02 . . . . . . . . . . 5578 1 741 . 1 1 59 59 ASN C C 13 175.3 0.05 . . . . . . . . . . 5578 1 742 . 1 1 59 59 ASN CA C 13 51.1 0.05 . . . . . . . . . . 5578 1 743 . 1 1 59 59 ASN CB C 13 40.9 0.05 . . . . . . . . . . 5578 1 744 . 1 1 59 59 ASN HA H 1 5.80 0.02 . . . . . . . . . . 5578 1 745 . 1 1 59 59 ASN H H 1 8.80 0.02 . . . . . . . . . . 5578 1 746 . 1 1 59 59 ASN N N 15 125.3 0.05 . . . . . . . . . . 5578 1 747 . 1 1 59 59 ASN ND2 N 15 114.8 0.05 . . . . . . . . . . 5578 1 748 . 1 1 60 60 TYR HB2 H 1 3.08 0.02 . . . . . . . . . . 5578 1 749 . 1 1 60 60 TYR HB3 H 1 2.61 0.02 . . . . . . . . . . 5578 1 750 . 1 1 60 60 TYR C C 13 175.3 0.05 . . . . . . . . . . 5578 1 751 . 1 1 60 60 TYR CA C 13 58.2 0.05 . . . . . . . . . . 5578 1 752 . 1 1 60 60 TYR CB C 13 42.2 0.05 . . . . . . . . . . 5578 1 753 . 1 1 60 60 TYR HA H 1 5.08 0.02 . . . . . . . . . . 5578 1 754 . 1 1 60 60 TYR HD1 H 1 7.05 0.02 . . . . . . . . . . 5578 1 755 . 1 1 60 60 TYR HD2 H 1 7.05 0.02 . . . . . . . . . . 5578 1 756 . 1 1 60 60 TYR HE1 H 1 6.94 0.02 . . . . . . . . . . 5578 1 757 . 1 1 60 60 TYR HE2 H 1 6.94 0.02 . . . . . . . . . . 5578 1 758 . 1 1 60 60 TYR H H 1 9.19 0.02 . . . . . . . . . . 5578 1 759 . 1 1 60 60 TYR N N 15 121.9 0.05 . . . . . . . . . . 5578 1 760 . 1 1 61 61 ILE HD11 H 1 0.80 0.02 . . . . . . . . . . 5578 1 761 . 1 1 61 61 ILE HD12 H 1 0.80 0.02 . . . . . . . . . . 5578 1 762 . 1 1 61 61 ILE HD13 H 1 0.80 0.02 . . . . . . . . . . 5578 1 763 . 1 1 61 61 ILE HG12 H 1 1.43 0.02 . . . . . . . . . . 5578 1 764 . 1 1 61 61 ILE HG21 H 1 0.75 0.02 . . . . . . . . . . 5578 1 765 . 1 1 61 61 ILE HG22 H 1 0.75 0.02 . . . . . . . . . . 5578 1 766 . 1 1 61 61 ILE HG23 H 1 0.75 0.02 . . . . . . . . . . 5578 1 767 . 1 1 61 61 ILE HG13 H 1 1.16 0.02 . . . . . . . . . . 5578 1 768 . 1 1 61 61 ILE C C 13 174.1 0.05 . . . . . . . . . . 5578 1 769 . 1 1 61 61 ILE CA C 13 60.4 0.05 . . . . . . . . . . 5578 1 770 . 1 1 61 61 ILE CB C 13 38.9 0.05 . . . . . . . . . . 5578 1 771 . 1 1 61 61 ILE CD1 C 13 11.9 0.05 . . . . . . . . . . 5578 1 772 . 1 1 61 61 ILE CG1 C 13 27.7 0.05 . . . . . . . . . . 5578 1 773 . 1 1 61 61 ILE CG2 C 13 18.1 0.05 . . . . . . . . . . 5578 1 774 . 1 1 61 61 ILE HA H 1 4.34 0.02 . . . . . . . . . . 5578 1 775 . 1 1 61 61 ILE HB H 1 1.83 0.02 . . . . . . . . . . 5578 1 776 . 1 1 61 61 ILE H H 1 9.14 0.02 . . . . . . . . . . 5578 1 777 . 1 1 61 61 ILE N N 15 138.1 0.05 . . . . . . . . . . 5578 1 778 . 1 1 62 62 MET HB2 H 1 2.43 0.02 . . . . . . . . . . 5578 1 779 . 1 1 62 62 MET HG2 H 1 2.77 0.02 . . . . . . . . . . 5578 1 780 . 1 1 62 62 MET HB3 H 1 2.43 0.02 . . . . . . . . . . 5578 1 781 . 1 1 62 62 MET HG3 H 1 2.40 0.02 . . . . . . . . . . 5578 1 782 . 1 1 62 62 MET C C 13 173.8 0.05 . . . . . . . . . . 5578 1 783 . 1 1 62 62 MET CA C 13 54.4 0.05 . . . . . . . . . . 5578 1 784 . 1 1 62 62 MET CB C 13 37.3 0.05 . . . . . . . . . . 5578 1 785 . 1 1 62 62 MET CG C 13 32.8 0.05 . . . . . . . . . . 5578 1 786 . 1 1 62 62 MET HA H 1 4.67 0.02 . . . . . . . . . . 5578 1 787 . 1 1 62 62 MET H H 1 8.19 0.02 . . . . . . . . . . 5578 1 788 . 1 1 62 62 MET N N 15 127.2 0.05 . . . . . . . . . . 5578 1 789 . 1 1 63 63 ASP HB2 H 1 2.83 0.02 . . . . . . . . . . 5578 1 790 . 1 1 63 63 ASP HB3 H 1 2.25 0.02 . . . . . . . . . . 5578 1 791 . 1 1 63 63 ASP C C 13 174.4 0.05 . . . . . . . . . . 5578 1 792 . 1 1 63 63 ASP CA C 13 53.6 0.05 . . . . . . . . . . 5578 1 793 . 1 1 63 63 ASP CB C 13 42.3 0.05 . . . . . . . . . . 5578 1 794 . 1 1 63 63 ASP HA H 1 5.08 0.02 . . . . . . . . . . 5578 1 795 . 1 1 63 63 ASP H H 1 8.63 0.02 . . . . . . . . . . 5578 1 796 . 1 1 63 63 ASP N N 15 127.4 0.05 . . . . . . . . . . 5578 1 797 . 1 1 64 64 PHE HB2 H 1 2.66 0.02 . . . . . . . . . . 5578 1 798 . 1 1 64 64 PHE HB3 H 1 1.85 0.02 . . . . . . . . . . 5578 1 799 . 1 1 64 64 PHE C C 13 172.5 0.05 . . . . . . . . . . 5578 1 800 . 1 1 64 64 PHE CA C 13 55.8 0.05 . . . . . . . . . . 5578 1 801 . 1 1 64 64 PHE CB C 13 41.7 0.05 . . . . . . . . . . 5578 1 802 . 1 1 64 64 PHE HA H 1 4.73 0.02 . . . . . . . . . . 5578 1 803 . 1 1 64 64 PHE HD1 H 1 6.74 0.02 . . . . . . . . . . 5578 1 804 . 1 1 64 64 PHE HD2 H 1 6.74 0.02 . . . . . . . . . . 5578 1 805 . 1 1 64 64 PHE HE1 H 1 7.00 0.02 . . . . . . . . . . 5578 1 806 . 1 1 64 64 PHE HE2 H 1 7.00 0.02 . . . . . . . . . . 5578 1 807 . 1 1 64 64 PHE H H 1 8.53 0.02 . . . . . . . . . . 5578 1 808 . 1 1 64 64 PHE N N 15 124.4 0.05 . . . . . . . . . . 5578 1 809 . 1 1 65 65 GLN HB2 H 1 2.04 0.02 . . . . . . . . . . 5578 1 810 . 1 1 65 65 GLN HE21 H 1 7.53 0.02 . . . . . . . . . . 5578 1 811 . 1 1 65 65 GLN HG2 H 1 2.29 0.02 . . . . . . . . . . 5578 1 812 . 1 1 65 65 GLN HB3 H 1 1.93 0.02 . . . . . . . . . . 5578 1 813 . 1 1 65 65 GLN HE22 H 1 6.64 0.02 . . . . . . . . . . 5578 1 814 . 1 1 65 65 GLN HG3 H 1 2.29 0.02 . . . . . . . . . . 5578 1 815 . 1 1 65 65 GLN C C 13 177.6 0.05 . . . . . . . . . . 5578 1 816 . 1 1 65 65 GLN CA C 13 52.8 0.05 . . . . . . . . . . 5578 1 817 . 1 1 65 65 GLN CB C 13 30.1 0.05 . . . . . . . . . . 5578 1 818 . 1 1 65 65 GLN CG C 13 33.2 0.05 . . . . . . . . . . 5578 1 819 . 1 1 65 65 GLN HA H 1 5.28 0.02 . . . . . . . . . . 5578 1 820 . 1 1 65 65 GLN H H 1 9.04 0.02 . . . . . . . . . . 5578 1 821 . 1 1 65 65 GLN N N 15 122.1 0.05 . . . . . . . . . . 5578 1 822 . 1 1 65 65 GLN NE2 N 15 114.6 0.05 . . . . . . . . . . 5578 1 823 . 1 1 66 66 VAL HG11 H 1 0.77 0.02 . . . . . . . . . . 5578 1 824 . 1 1 66 66 VAL HG12 H 1 0.77 0.02 . . . . . . . . . . 5578 1 825 . 1 1 66 66 VAL HG13 H 1 0.77 0.02 . . . . . . . . . . 5578 1 826 . 1 1 66 66 VAL HG21 H 1 1.00 0.02 . . . . . . . . . . 5578 1 827 . 1 1 66 66 VAL HG22 H 1 1.00 0.02 . . . . . . . . . . 5578 1 828 . 1 1 66 66 VAL HG23 H 1 1.00 0.02 . . . . . . . . . . 5578 1 829 . 1 1 66 66 VAL C C 13 177.2 0.05 . . . . . . . . . . 5578 1 830 . 1 1 66 66 VAL CA C 13 65.7 0.05 . . . . . . . . . . 5578 1 831 . 1 1 66 66 VAL CB C 13 31.8 0.05 . . . . . . . . . . 5578 1 832 . 1 1 66 66 VAL CG1 C 13 22.1 0.05 . . . . . . . . . . 5578 1 833 . 1 1 66 66 VAL CG2 C 13 22.6 0.05 . . . . . . . . . . 5578 1 834 . 1 1 66 66 VAL HA H 1 3.72 0.02 . . . . . . . . . . 5578 1 835 . 1 1 66 66 VAL HB H 1 2.12 0.02 . . . . . . . . . . 5578 1 836 . 1 1 66 66 VAL H H 1 9.71 0.02 . . . . . . . . . . 5578 1 837 . 1 1 66 66 VAL N N 15 131.9 0.05 . . . . . . . . . . 5578 1 838 . 1 1 67 67 GLY HA2 H 1 4.42 0.02 . . . . . . . . . . 5578 1 839 . 1 1 67 67 GLY HA3 H 1 3.69 0.02 . . . . . . . . . . 5578 1 840 . 1 1 67 67 GLY C C 13 173.6 0.05 . . . . . . . . . . 5578 1 841 . 1 1 67 67 GLY CA C 13 45.1 0.05 . . . . . . . . . . 5578 1 842 . 1 1 67 67 GLY H H 1 9.70 0.02 . . . . . . . . . . 5578 1 843 . 1 1 67 67 GLY N N 15 118.5 0.05 . . . . . . . . . . 5578 1 844 . 1 1 68 68 LYS HB2 H 1 2.02 0.02 . . . . . . . . . . 5578 1 845 . 1 1 68 68 LYS HD2 H 1 1.74 0.02 . . . . . . . . . . 5578 1 846 . 1 1 68 68 LYS HE2 H 1 3.07 0.02 . . . . . . . . . . 5578 1 847 . 1 1 68 68 LYS HG2 H 1 1.42 0.02 . . . . . . . . . . 5578 1 848 . 1 1 68 68 LYS HB3 H 1 1.82 0.02 . . . . . . . . . . 5578 1 849 . 1 1 68 68 LYS HD3 H 1 1.74 0.02 . . . . . . . . . . 5578 1 850 . 1 1 68 68 LYS HE3 H 1 3.07 0.02 . . . . . . . . . . 5578 1 851 . 1 1 68 68 LYS HG3 H 1 1.42 0.02 . . . . . . . . . . 5578 1 852 . 1 1 68 68 LYS C C 13 175.8 0.05 . . . . . . . . . . 5578 1 853 . 1 1 68 68 LYS CA C 13 54.6 0.05 . . . . . . . . . . 5578 1 854 . 1 1 68 68 LYS CB C 13 33.9 0.05 . . . . . . . . . . 5578 1 855 . 1 1 68 68 LYS CD C 13 28.9 0.05 . . . . . . . . . . 5578 1 856 . 1 1 68 68 LYS CE C 13 42.3 0.05 . . . . . . . . . . 5578 1 857 . 1 1 68 68 LYS CG C 13 24.5 0.05 . . . . . . . . . . 5578 1 858 . 1 1 68 68 LYS HA H 1 4.80 0.02 . . . . . . . . . . 5578 1 859 . 1 1 68 68 LYS H H 1 7.78 0.02 . . . . . . . . . . 5578 1 860 . 1 1 68 68 LYS N N 15 124.4 0.05 . . . . . . . . . . 5578 1 861 . 1 1 69 69 GLU HB2 H 1 1.89 0.02 . . . . . . . . . . 5578 1 862 . 1 1 69 69 GLU HG2 H 1 1.87 0.02 . . . . . . . . . . 5578 1 863 . 1 1 69 69 GLU HB3 H 1 1.89 0.02 . . . . . . . . . . 5578 1 864 . 1 1 69 69 GLU HG3 H 1 1.87 0.02 . . . . . . . . . . 5578 1 865 . 1 1 69 69 GLU C C 13 175.5 0.05 . . . . . . . . . . 5578 1 866 . 1 1 69 69 GLU CA C 13 56.8 0.05 . . . . . . . . . . 5578 1 867 . 1 1 69 69 GLU CB C 13 30.7 0.05 . . . . . . . . . . 5578 1 868 . 1 1 69 69 GLU CG C 13 37.1 0.05 . . . . . . . . . . 5578 1 869 . 1 1 69 69 GLU HA H 1 4.85 0.02 . . . . . . . . . . 5578 1 870 . 1 1 69 69 GLU H H 1 8.93 0.02 . . . . . . . . . . 5578 1 871 . 1 1 69 69 GLU N N 15 135.6 0.05 . . . . . . . . . . 5578 1 872 . 1 1 70 70 PHE HB2 H 1 3.18 0.02 . . . . . . . . . . 5578 1 873 . 1 1 70 70 PHE HB3 H 1 3.18 0.02 . . . . . . . . . . 5578 1 874 . 1 1 70 70 PHE C C 13 172.1 0.05 . . . . . . . . . . 5578 1 875 . 1 1 70 70 PHE CA C 13 55.1 0.05 . . . . . . . . . . 5578 1 876 . 1 1 70 70 PHE CB C 13 42.2 0.05 . . . . . . . . . . 5578 1 877 . 1 1 70 70 PHE HA H 1 5.09 0.02 . . . . . . . . . . 5578 1 878 . 1 1 70 70 PHE HD1 H 1 7.00 0.02 . . . . . . . . . . 5578 1 879 . 1 1 70 70 PHE HD2 H 1 7.00 0.02 . . . . . . . . . . 5578 1 880 . 1 1 70 70 PHE HE1 H 1 7.45 0.02 . . . . . . . . . . 5578 1 881 . 1 1 70 70 PHE HE2 H 1 7.45 0.02 . . . . . . . . . . 5578 1 882 . 1 1 70 70 PHE H H 1 9.34 0.02 . . . . . . . . . . 5578 1 883 . 1 1 70 70 PHE N N 15 128.2 0.05 . . . . . . . . . . 5578 1 884 . 1 1 71 71 GLU HB2 H 1 2.15 0.02 . . . . . . . . . . 5578 1 885 . 1 1 71 71 GLU HG2 H 1 2.13 0.02 . . . . . . . . . . 5578 1 886 . 1 1 71 71 GLU HB3 H 1 1.85 0.02 . . . . . . . . . . 5578 1 887 . 1 1 71 71 GLU HG3 H 1 1.92 0.02 . . . . . . . . . . 5578 1 888 . 1 1 71 71 GLU C C 13 174.5 0.05 . . . . . . . . . . 5578 1 889 . 1 1 71 71 GLU CA C 13 55.8 0.05 . . . . . . . . . . 5578 1 890 . 1 1 71 71 GLU CB C 13 30.4 0.05 . . . . . . . . . . 5578 1 891 . 1 1 71 71 GLU CG C 13 37.5 0.05 . . . . . . . . . . 5578 1 892 . 1 1 71 71 GLU HA H 1 4.89 0.02 . . . . . . . . . . 5578 1 893 . 1 1 71 71 GLU H H 1 8.71 0.02 . . . . . . . . . . 5578 1 894 . 1 1 71 71 GLU N N 15 124.7 0.05 . . . . . . . . . . 5578 1 895 . 1 1 72 72 GLU HB2 H 1 1.33 0.02 . . . . . . . . . . 5578 1 896 . 1 1 72 72 GLU HG2 H 1 2.34 0.02 . . . . . . . . . . 5578 1 897 . 1 1 72 72 GLU HB3 H 1 1.33 0.02 . . . . . . . . . . 5578 1 898 . 1 1 72 72 GLU HG3 H 1 2.34 0.02 . . . . . . . . . . 5578 1 899 . 1 1 72 72 GLU C C 13 174.2 0.05 . . . . . . . . . . 5578 1 900 . 1 1 72 72 GLU CA C 13 55.3 0.05 . . . . . . . . . . 5578 1 901 . 1 1 72 72 GLU CB C 13 31.2 0.05 . . . . . . . . . . 5578 1 902 . 1 1 72 72 GLU CG C 13 35.7 0.05 . . . . . . . . . . 5578 1 903 . 1 1 72 72 GLU HA H 1 4.53 0.02 . . . . . . . . . . 5578 1 904 . 1 1 72 72 GLU H H 1 9.60 0.02 . . . . . . . . . . 5578 1 905 . 1 1 72 72 GLU N N 15 138.6 0.05 . . . . . . . . . . 5578 1 906 . 1 1 73 73 ASP HB2 H 1 3.25 0.02 . . . . . . . . . . 5578 1 907 . 1 1 73 73 ASP HB3 H 1 2.72 0.02 . . . . . . . . . . 5578 1 908 . 1 1 73 73 ASP C C 13 176.5 0.05 . . . . . . . . . . 5578 1 909 . 1 1 73 73 ASP CA C 13 53.2 0.05 . . . . . . . . . . 5578 1 910 . 1 1 73 73 ASP CB C 13 41.1 0.05 . . . . . . . . . . 5578 1 911 . 1 1 73 73 ASP HA H 1 4.85 0.02 . . . . . . . . . . 5578 1 912 . 1 1 73 73 ASP H H 1 9.15 0.02 . . . . . . . . . . 5578 1 913 . 1 1 73 73 ASP N N 15 130.8 0.05 . . . . . . . . . . 5578 1 914 . 1 1 74 74 LEU HB2 H 1 1.90 0.02 . . . . . . . . . . 5578 1 915 . 1 1 74 74 LEU HD11 H 1 0.67 0.02 . . . . . . . . . . 5578 1 916 . 1 1 74 74 LEU HD12 H 1 0.67 0.02 . . . . . . . . . . 5578 1 917 . 1 1 74 74 LEU HD13 H 1 0.67 0.02 . . . . . . . . . . 5578 1 918 . 1 1 74 74 LEU HD21 H 1 0.56 0.02 . . . . . . . . . . 5578 1 919 . 1 1 74 74 LEU HD22 H 1 0.56 0.02 . . . . . . . . . . 5578 1 920 . 1 1 74 74 LEU HD23 H 1 0.56 0.02 . . . . . . . . . . 5578 1 921 . 1 1 74 74 LEU HB3 H 1 1.90 0.02 . . . . . . . . . . 5578 1 922 . 1 1 74 74 LEU C C 13 178.1 0.05 . . . . . . . . . . 5578 1 923 . 1 1 74 74 LEU CA C 13 56.1 0.05 . . . . . . . . . . 5578 1 924 . 1 1 74 74 LEU CB C 13 39.2 0.05 . . . . . . . . . . 5578 1 925 . 1 1 74 74 LEU CD1 C 13 26.2 0.05 . . . . . . . . . . 5578 1 926 . 1 1 74 74 LEU CD2 C 13 26.1 0.05 . . . . . . . . . . 5578 1 927 . 1 1 74 74 LEU CG C 13 28.7 0.05 . . . . . . . . . . 5578 1 928 . 1 1 74 74 LEU HA H 1 4.45 0.02 . . . . . . . . . . 5578 1 929 . 1 1 74 74 LEU HG H 1 1.41 0.02 . . . . . . . . . . 5578 1 930 . 1 1 74 74 LEU H H 1 8.31 0.02 . . . . . . . . . . 5578 1 931 . 1 1 74 74 LEU N N 15 130.5 0.05 . . . . . . . . . . 5578 1 932 . 1 1 75 75 THR HG21 H 1 1.21 0.02 . . . . . . . . . . 5578 1 933 . 1 1 75 75 THR HG22 H 1 1.21 0.02 . . . . . . . . . . 5578 1 934 . 1 1 75 75 THR HG23 H 1 1.21 0.02 . . . . . . . . . . 5578 1 935 . 1 1 75 75 THR C C 13 175.8 0.05 . . . . . . . . . . 5578 1 936 . 1 1 75 75 THR CA C 13 66.3 0.05 . . . . . . . . . . 5578 1 937 . 1 1 75 75 THR CB C 13 68.6 0.05 . . . . . . . . . . 5578 1 938 . 1 1 75 75 THR CG2 C 13 21.2 0.05 . . . . . . . . . . 5578 1 939 . 1 1 75 75 THR HA H 1 4.33 0.02 . . . . . . . . . . 5578 1 940 . 1 1 75 75 THR HB H 1 4.00 0.02 . . . . . . . . . . 5578 1 941 . 1 1 75 75 THR H H 1 8.20 0.02 . . . . . . . . . . 5578 1 942 . 1 1 75 75 THR N N 15 124.4 0.05 . . . . . . . . . . 5578 1 943 . 1 1 76 76 GLY HA2 H 1 4.36 0.02 . . . . . . . . . . 5578 1 944 . 1 1 76 76 GLY HA3 H 1 3.68 0.02 . . . . . . . . . . 5578 1 945 . 1 1 76 76 GLY C C 13 173.1 0.05 . . . . . . . . . . 5578 1 946 . 1 1 76 76 GLY CA C 13 44.8 0.05 . . . . . . . . . . 5578 1 947 . 1 1 76 76 GLY H H 1 8.93 0.02 . . . . . . . . . . 5578 1 948 . 1 1 76 76 GLY N N 15 120.4 0.05 . . . . . . . . . . 5578 1 949 . 1 1 77 77 ILE HD11 H 1 -0.16 0.02 . . . . . . . . . . 5578 1 950 . 1 1 77 77 ILE HD12 H 1 -0.16 0.02 . . . . . . . . . . 5578 1 951 . 1 1 77 77 ILE HD13 H 1 -0.16 0.02 . . . . . . . . . . 5578 1 952 . 1 1 77 77 ILE HG12 H 1 0.88 0.02 . . . . . . . . . . 5578 1 953 . 1 1 77 77 ILE HG21 H 1 0.63 0.02 . . . . . . . . . . 5578 1 954 . 1 1 77 77 ILE HG22 H 1 0.63 0.02 . . . . . . . . . . 5578 1 955 . 1 1 77 77 ILE HG23 H 1 0.63 0.02 . . . . . . . . . . 5578 1 956 . 1 1 77 77 ILE HG13 H 1 0.47 0.02 . . . . . . . . . . 5578 1 957 . 1 1 77 77 ILE C C 13 173.5 0.05 . . . . . . . . . . 5578 1 958 . 1 1 77 77 ILE CA C 13 61.8 0.05 . . . . . . . . . . 5578 1 959 . 1 1 77 77 ILE CB C 13 36.3 0.05 . . . . . . . . . . 5578 1 960 . 1 1 77 77 ILE CD1 C 13 13.1 0.05 . . . . . . . . . . 5578 1 961 . 1 1 77 77 ILE CG1 C 13 27.5 0.05 . . . . . . . . . . 5578 1 962 . 1 1 77 77 ILE CG2 C 13 16.6 0.05 . . . . . . . . . . 5578 1 963 . 1 1 77 77 ILE HA H 1 4.03 0.02 . . . . . . . . . . 5578 1 964 . 1 1 77 77 ILE HB H 1 1.64 0.02 . . . . . . . . . . 5578 1 965 . 1 1 77 77 ILE H H 1 7.74 0.02 . . . . . . . . . . 5578 1 966 . 1 1 77 77 ILE N N 15 122.8 0.05 . . . . . . . . . . 5578 1 967 . 1 1 78 78 ASP HB2 H 1 2.86 0.02 . . . . . . . . . . 5578 1 968 . 1 1 78 78 ASP HB3 H 1 2.02 0.02 . . . . . . . . . . 5578 1 969 . 1 1 78 78 ASP C C 13 175.4 0.05 . . . . . . . . . . 5578 1 970 . 1 1 78 78 ASP CA C 13 51.9 0.05 . . . . . . . . . . 5578 1 971 . 1 1 78 78 ASP CB C 13 40.0 0.05 . . . . . . . . . . 5578 1 972 . 1 1 78 78 ASP HA H 1 4.55 0.02 . . . . . . . . . . 5578 1 973 . 1 1 78 78 ASP H H 1 9.15 0.02 . . . . . . . . . . 5578 1 974 . 1 1 78 78 ASP N N 15 117.8 0.05 . . . . . . . . . . 5578 1 975 . 1 1 79 79 ASP HB2 H 1 2.90 0.02 . . . . . . . . . . 5578 1 976 . 1 1 79 79 ASP HB3 H 1 2.90 0.02 . . . . . . . . . . 5578 1 977 . 1 1 79 79 ASP C C 13 174.1 0.05 . . . . . . . . . . 5578 1 978 . 1 1 79 79 ASP CA C 13 55.8 0.05 . . . . . . . . . . 5578 1 979 . 1 1 79 79 ASP CB C 13 38.2 0.05 . . . . . . . . . . 5578 1 980 . 1 1 79 79 ASP HA H 1 3.94 0.02 . . . . . . . . . . 5578 1 981 . 1 1 79 79 ASP H H 1 7.93 0.02 . . . . . . . . . . 5578 1 982 . 1 1 79 79 ASP N N 15 117.8 0.05 . . . . . . . . . . 5578 1 983 . 1 1 80 80 ARG HB2 H 1 1.73 0.02 . . . . . . . . . . 5578 1 984 . 1 1 80 80 ARG HD2 H 1 3.07 0.02 . . . . . . . . . . 5578 1 985 . 1 1 80 80 ARG HG2 H 1 1.64 0.02 . . . . . . . . . . 5578 1 986 . 1 1 80 80 ARG HB3 H 1 1.47 0.02 . . . . . . . . . . 5578 1 987 . 1 1 80 80 ARG HD3 H 1 2.93 0.02 . . . . . . . . . . 5578 1 988 . 1 1 80 80 ARG HG3 H 1 2.01 0.02 . . . . . . . . . . 5578 1 989 . 1 1 80 80 ARG C C 13 174.4 0.05 . . . . . . . . . . 5578 1 990 . 1 1 80 80 ARG CA C 13 55.7 0.05 . . . . . . . . . . 5578 1 991 . 1 1 80 80 ARG CB C 13 32.8 0.05 . . . . . . . . . . 5578 1 992 . 1 1 80 80 ARG CD C 13 39.1 0.05 . . . . . . . . . . 5578 1 993 . 1 1 80 80 ARG CG C 13 30.4 0.05 . . . . . . . . . . 5578 1 994 . 1 1 80 80 ARG HA H 1 4.54 0.02 . . . . . . . . . . 5578 1 995 . 1 1 80 80 ARG H H 1 6.28 0.02 . . . . . . . . . . 5578 1 996 . 1 1 80 80 ARG N N 15 118.7 0.05 . . . . . . . . . . 5578 1 997 . 1 1 81 81 LYS HB2 H 1 1.63 0.02 . . . . . . . . . . 5578 1 998 . 1 1 81 81 LYS HD2 H 1 1.68 0.02 . . . . . . . . . . 5578 1 999 . 1 1 81 81 LYS HE2 H 1 2.89 0.02 . . . . . . . . . . 5578 1 1000 . 1 1 81 81 LYS HG2 H 1 1.48 0.02 . . . . . . . . . . 5578 1 1001 . 1 1 81 81 LYS HB3 H 1 1.63 0.02 . . . . . . . . . . 5578 1 1002 . 1 1 81 81 LYS HD3 H 1 1.54 0.02 . . . . . . . . . . 5578 1 1003 . 1 1 81 81 LYS HE3 H 1 2.89 0.02 . . . . . . . . . . 5578 1 1004 . 1 1 81 81 LYS HG3 H 1 1.33 0.02 . . . . . . . . . . 5578 1 1005 . 1 1 81 81 LYS C C 13 177.7 0.05 . . . . . . . . . . 5578 1 1006 . 1 1 81 81 LYS CA C 13 55.2 0.05 . . . . . . . . . . 5578 1 1007 . 1 1 81 81 LYS CB C 13 34.8 0.05 . . . . . . . . . . 5578 1 1008 . 1 1 81 81 LYS CD C 13 29.1 0.05 . . . . . . . . . . 5578 1 1009 . 1 1 81 81 LYS CE C 13 42.3 0.05 . . . . . . . . . . 5578 1 1010 . 1 1 81 81 LYS CG C 13 25.5 0.05 . . . . . . . . . . 5578 1 1011 . 1 1 81 81 LYS HA H 1 5.45 0.02 . . . . . . . . . . 5578 1 1012 . 1 1 81 81 LYS H H 1 8.12 0.02 . . . . . . . . . . 5578 1 1013 . 1 1 81 81 LYS N N 15 120.9 0.05 . . . . . . . . . . 5578 1 1014 . 1 1 82 82 CYS HB2 H 1 2.45 0.02 . . . . . . . . . . 5578 1 1015 . 1 1 82 82 CYS HB3 H 1 2.27 0.02 . . . . . . . . . . 5578 1 1016 . 1 1 82 82 CYS C C 13 172.6 0.05 . . . . . . . . . . 5578 1 1017 . 1 1 82 82 CYS CA C 13 57.9 0.05 . . . . . . . . . . 5578 1 1018 . 1 1 82 82 CYS CB C 13 32.7 0.05 . . . . . . . . . . 5578 1 1019 . 1 1 82 82 CYS HA H 1 4.99 0.02 . . . . . . . . . . 5578 1 1020 . 1 1 82 82 CYS H H 1 8.81 0.02 . . . . . . . . . . 5578 1 1021 . 1 1 82 82 CYS N N 15 124.0 0.05 . . . . . . . . . . 5578 1 1022 . 1 1 83 83 MET HB2 H 1 1.87 0.02 . . . . . . . . . . 5578 1 1023 . 1 1 83 83 MET HG2 H 1 2.60 0.02 . . . . . . . . . . 5578 1 1024 . 1 1 83 83 MET HB3 H 1 1.70 0.02 . . . . . . . . . . 5578 1 1025 . 1 1 83 83 MET HG3 H 1 2.49 0.02 . . . . . . . . . . 5578 1 1026 . 1 1 83 83 MET C C 13 176.1 0.05 . . . . . . . . . . 5578 1 1027 . 1 1 83 83 MET CA C 13 53.2 0.05 . . . . . . . . . . 5578 1 1028 . 1 1 83 83 MET CB C 13 29.8 0.05 . . . . . . . . . . 5578 1 1029 . 1 1 83 83 MET CG C 13 31.4 0.05 . . . . . . . . . . 5578 1 1030 . 1 1 83 83 MET HA H 1 5.12 0.02 . . . . . . . . . . 5578 1 1031 . 1 1 83 83 MET H H 1 8.75 0.02 . . . . . . . . . . 5578 1 1032 . 1 1 83 83 MET N N 15 123.3 0.05 . . . . . . . . . . 5578 1 1033 . 1 1 84 84 THR HG21 H 1 0.51 0.02 . . . . . . . . . . 5578 1 1034 . 1 1 84 84 THR HG22 H 1 0.51 0.02 . . . . . . . . . . 5578 1 1035 . 1 1 84 84 THR HG23 H 1 0.51 0.02 . . . . . . . . . . 5578 1 1036 . 1 1 84 84 THR C C 13 172.2 0.05 . . . . . . . . . . 5578 1 1037 . 1 1 84 84 THR CA C 13 61.8 0.05 . . . . . . . . . . 5578 1 1038 . 1 1 84 84 THR CB C 13 70.2 0.05 . . . . . . . . . . 5578 1 1039 . 1 1 84 84 THR CG2 C 13 24.5 0.05 . . . . . . . . . . 5578 1 1040 . 1 1 84 84 THR HA H 1 5.17 0.02 . . . . . . . . . . 5578 1 1041 . 1 1 84 84 THR HB H 1 2.44 0.02 . . . . . . . . . . 5578 1 1042 . 1 1 84 84 THR H H 1 9.22 0.02 . . . . . . . . . . 5578 1 1043 . 1 1 84 84 THR N N 15 134.0 0.05 . . . . . . . . . . 5578 1 1044 . 1 1 85 85 THR HG21 H 1 0.93 0.02 . . . . . . . . . . 5578 1 1045 . 1 1 85 85 THR HG22 H 1 0.93 0.02 . . . . . . . . . . 5578 1 1046 . 1 1 85 85 THR HG23 H 1 0.93 0.02 . . . . . . . . . . 5578 1 1047 . 1 1 85 85 THR C C 13 173.1 0.05 . . . . . . . . . . 5578 1 1048 . 1 1 85 85 THR CA C 13 62.3 0.05 . . . . . . . . . . 5578 1 1049 . 1 1 85 85 THR CB C 13 70.7 0.05 . . . . . . . . . . 5578 1 1050 . 1 1 85 85 THR CG2 C 13 20.3 0.05 . . . . . . . . . . 5578 1 1051 . 1 1 85 85 THR HA H 1 4.23 0.02 . . . . . . . . . . 5578 1 1052 . 1 1 85 85 THR HB H 1 3.69 0.02 . . . . . . . . . . 5578 1 1053 . 1 1 85 85 THR H H 1 8.11 0.02 . . . . . . . . . . 5578 1 1054 . 1 1 85 85 THR N N 15 121.7 0.05 . . . . . . . . . . 5578 1 1055 . 1 1 86 86 VAL HG11 H 1 0.55 0.02 . . . . . . . . . . 5578 1 1056 . 1 1 86 86 VAL HG12 H 1 0.55 0.02 . . . . . . . . . . 5578 1 1057 . 1 1 86 86 VAL HG13 H 1 0.55 0.02 . . . . . . . . . . 5578 1 1058 . 1 1 86 86 VAL HG21 H 1 -0.01 0.02 . . . . . . . . . . 5578 1 1059 . 1 1 86 86 VAL HG22 H 1 -0.01 0.02 . . . . . . . . . . 5578 1 1060 . 1 1 86 86 VAL HG23 H 1 -0.01 0.02 . . . . . . . . . . 5578 1 1061 . 1 1 86 86 VAL C C 13 174.2 0.05 . . . . . . . . . . 5578 1 1062 . 1 1 86 86 VAL CA C 13 60.4 0.05 . . . . . . . . . . 5578 1 1063 . 1 1 86 86 VAL CB C 13 32.3 0.05 . . . . . . . . . . 5578 1 1064 . 1 1 86 86 VAL CG1 C 13 22.5 0.05 . . . . . . . . . . 5578 1 1065 . 1 1 86 86 VAL CG2 C 13 20.1 0.05 . . . . . . . . . . 5578 1 1066 . 1 1 86 86 VAL HA H 1 4.55 0.02 . . . . . . . . . . 5578 1 1067 . 1 1 86 86 VAL HB H 1 1.57 0.02 . . . . . . . . . . 5578 1 1068 . 1 1 86 86 VAL H H 1 9.46 0.02 . . . . . . . . . . 5578 1 1069 . 1 1 86 86 VAL N N 15 136.0 0.05 . . . . . . . . . . 5578 1 1070 . 1 1 87 87 SER HB2 H 1 3.74 0.02 . . . . . . . . . . 5578 1 1071 . 1 1 87 87 SER HB3 H 1 3.68 0.02 . . . . . . . . . . 5578 1 1072 . 1 1 87 87 SER C C 13 172.8 0.05 . . . . . . . . . . 5578 1 1073 . 1 1 87 87 SER CA C 13 57.1 0.05 . . . . . . . . . . 5578 1 1074 . 1 1 87 87 SER CB C 13 66.1 0.05 . . . . . . . . . . 5578 1 1075 . 1 1 87 87 SER HA H 1 4.76 0.02 . . . . . . . . . . 5578 1 1076 . 1 1 87 87 SER H H 1 9.28 0.02 . . . . . . . . . . 5578 1 1077 . 1 1 87 87 SER N N 15 124.3 0.05 . . . . . . . . . . 5578 1 1078 . 1 1 88 88 TRP HB2 H 1 3.46 0.02 . . . . . . . . . . 5578 1 1079 . 1 1 88 88 TRP HB3 H 1 3.14 0.02 . . . . . . . . . . 5578 1 1080 . 1 1 88 88 TRP C C 13 177.4 0.05 . . . . . . . . . . 5578 1 1081 . 1 1 88 88 TRP CA C 13 57.6 0.05 . . . . . . . . . . 5578 1 1082 . 1 1 88 88 TRP CB C 13 30.7 0.05 . . . . . . . . . . 5578 1 1083 . 1 1 88 88 TRP HA H 1 5.11 0.02 . . . . . . . . . . 5578 1 1084 . 1 1 88 88 TRP HD1 H 1 7.34 0.02 . . . . . . . . . . 5578 1 1085 . 1 1 88 88 TRP HE1 H 1 10.61 0.02 . . . . . . . . . . 5578 1 1086 . 1 1 88 88 TRP H H 1 8.66 0.02 . . . . . . . . . . 5578 1 1087 . 1 1 88 88 TRP N N 15 124.4 0.05 . . . . . . . . . . 5578 1 1088 . 1 1 88 88 TRP NE1 N 15 132.7 0.05 . . . . . . . . . . 5578 1 1089 . 1 1 89 89 ASP HB2 H 1 2.74 0.02 . . . . . . . . . . 5578 1 1090 . 1 1 89 89 ASP HB3 H 1 2.55 0.02 . . . . . . . . . . 5578 1 1091 . 1 1 89 89 ASP C C 13 176.7 0.05 . . . . . . . . . . 5578 1 1092 . 1 1 89 89 ASP CA C 13 52.4 0.05 . . . . . . . . . . 5578 1 1093 . 1 1 89 89 ASP CB C 13 42.3 0.05 . . . . . . . . . . 5578 1 1094 . 1 1 89 89 ASP HA H 1 4.87 0.02 . . . . . . . . . . 5578 1 1095 . 1 1 89 89 ASP H H 1 9.49 0.02 . . . . . . . . . . 5578 1 1096 . 1 1 89 89 ASP N N 15 128.8 0.05 . . . . . . . . . . 5578 1 1097 . 1 1 90 90 GLY HA2 H 1 4.07 0.02 . . . . . . . . . . 5578 1 1098 . 1 1 90 90 GLY HA3 H 1 3.63 0.02 . . . . . . . . . . 5578 1 1099 . 1 1 90 90 GLY C C 13 174.7 0.05 . . . . . . . . . . 5578 1 1100 . 1 1 90 90 GLY CA C 13 47.6 0.05 . . . . . . . . . . 5578 1 1101 . 1 1 90 90 GLY H H 1 8.91 0.02 . . . . . . . . . . 5578 1 1102 . 1 1 90 90 GLY N N 15 117.6 0.05 . . . . . . . . . . 5578 1 1103 . 1 1 91 91 ASP HB2 H 1 2.87 0.02 . . . . . . . . . . 5578 1 1104 . 1 1 91 91 ASP HB3 H 1 2.87 0.02 . . . . . . . . . . 5578 1 1105 . 1 1 91 91 ASP C C 13 174.4 0.05 . . . . . . . . . . 5578 1 1106 . 1 1 91 91 ASP CA C 13 54.2 0.05 . . . . . . . . . . 5578 1 1107 . 1 1 91 91 ASP CB C 13 40.6 0.05 . . . . . . . . . . 5578 1 1108 . 1 1 91 91 ASP HA H 1 4.68 0.02 . . . . . . . . . . 5578 1 1109 . 1 1 91 91 ASP H H 1 8.90 0.02 . . . . . . . . . . 5578 1 1110 . 1 1 91 91 ASP N N 15 131.7 0.05 . . . . . . . . . . 5578 1 1111 . 1 1 92 92 LYS HB2 H 1 1.71 0.02 . . . . . . . . . . 5578 1 1112 . 1 1 92 92 LYS HD2 H 1 1.18 0.02 . . . . . . . . . . 5578 1 1113 . 1 1 92 92 LYS HG2 H 1 2.00 0.02 . . . . . . . . . . 5578 1 1114 . 1 1 92 92 LYS HB3 H 1 1.31 0.02 . . . . . . . . . . 5578 1 1115 . 1 1 92 92 LYS HD3 H 1 1.18 0.02 . . . . . . . . . . 5578 1 1116 . 1 1 92 92 LYS HG3 H 1 2.00 0.02 . . . . . . . . . . 5578 1 1117 . 1 1 92 92 LYS C C 13 175.0 0.05 . . . . . . . . . . 5578 1 1118 . 1 1 92 92 LYS CA C 13 54.9 0.05 . . . . . . . . . . 5578 1 1119 . 1 1 92 92 LYS CB C 13 35.2 0.05 . . . . . . . . . . 5578 1 1120 . 1 1 92 92 LYS CD C 13 28.0 0.05 . . . . . . . . . . 5578 1 1121 . 1 1 92 92 LYS CE C 13 38.8 0.05 . . . . . . . . . . 5578 1 1122 . 1 1 92 92 LYS CG C 13 24.9 0.05 . . . . . . . . . . 5578 1 1123 . 1 1 92 92 LYS HA H 1 5.23 0.02 . . . . . . . . . . 5578 1 1124 . 1 1 92 92 LYS H H 1 8.00 0.02 . . . . . . . . . . 5578 1 1125 . 1 1 92 92 LYS N N 15 120.1 0.05 . . . . . . . . . . 5578 1 1126 . 1 1 93 93 LEU HB2 H 1 1.63 0.02 . . . . . . . . . . 5578 1 1127 . 1 1 93 93 LEU HD11 H 1 0.15 0.02 . . . . . . . . . . 5578 1 1128 . 1 1 93 93 LEU HD12 H 1 0.15 0.02 . . . . . . . . . . 5578 1 1129 . 1 1 93 93 LEU HD13 H 1 0.15 0.02 . . . . . . . . . . 5578 1 1130 . 1 1 93 93 LEU HD21 H 1 -0.15 0.02 . . . . . . . . . . 5578 1 1131 . 1 1 93 93 LEU HD22 H 1 -0.15 0.02 . . . . . . . . . . 5578 1 1132 . 1 1 93 93 LEU HD23 H 1 -0.15 0.02 . . . . . . . . . . 5578 1 1133 . 1 1 93 93 LEU HB3 H 1 1.44 0.02 . . . . . . . . . . 5578 1 1134 . 1 1 93 93 LEU C C 13 175.9 0.05 . . . . . . . . . . 5578 1 1135 . 1 1 93 93 LEU CA C 13 53.5 0.05 . . . . . . . . . . 5578 1 1136 . 1 1 93 93 LEU CB C 13 44.8 0.05 . . . . . . . . . . 5578 1 1137 . 1 1 93 93 LEU CD1 C 13 24.2 0.05 . . . . . . . . . . 5578 1 1138 . 1 1 93 93 LEU CD2 C 13 23.7 0.05 . . . . . . . . . . 5578 1 1139 . 1 1 93 93 LEU CG C 13 26.7 0.05 . . . . . . . . . . 5578 1 1140 . 1 1 93 93 LEU HA H 1 4.73 0.02 . . . . . . . . . . 5578 1 1141 . 1 1 93 93 LEU HG H 1 1.18 0.02 . . . . . . . . . . 5578 1 1142 . 1 1 93 93 LEU H H 1 9.42 0.02 . . . . . . . . . . 5578 1 1143 . 1 1 93 93 LEU N N 15 125.7 0.05 . . . . . . . . . . 5578 1 1144 . 1 1 94 94 GLN HB2 H 1 1.84 0.02 . . . . . . . . . . 5578 1 1145 . 1 1 94 94 GLN HE21 H 1 7.92 0.02 . . . . . . . . . . 5578 1 1146 . 1 1 94 94 GLN HG2 H 1 2.41 0.02 . . . . . . . . . . 5578 1 1147 . 1 1 94 94 GLN HB3 H 1 1.72 0.02 . . . . . . . . . . 5578 1 1148 . 1 1 94 94 GLN HE22 H 1 6.89 0.02 . . . . . . . . . . 5578 1 1149 . 1 1 94 94 GLN HG3 H 1 2.25 0.02 . . . . . . . . . . 5578 1 1150 . 1 1 94 94 GLN C C 13 174.3 0.05 . . . . . . . . . . 5578 1 1151 . 1 1 94 94 GLN CA C 13 53.7 0.05 . . . . . . . . . . 5578 1 1152 . 1 1 94 94 GLN CB C 13 30.6 0.05 . . . . . . . . . . 5578 1 1153 . 1 1 94 94 GLN CG C 13 31.9 0.05 . . . . . . . . . . 5578 1 1154 . 1 1 94 94 GLN HA H 1 5.07 0.02 . . . . . . . . . . 5578 1 1155 . 1 1 94 94 GLN H H 1 9.15 0.02 . . . . . . . . . . 5578 1 1156 . 1 1 94 94 GLN N N 15 126.4 0.05 . . . . . . . . . . 5578 1 1157 . 1 1 94 94 GLN NE2 N 15 115.1 0.05 . . . . . . . . . . 5578 1 1158 . 1 1 95 95 CYS HB2 H 1 0.24 0.02 . . . . . . . . . . 5578 1 1159 . 1 1 95 95 CYS HB3 H 1 -0.03 0.02 . . . . . . . . . . 5578 1 1160 . 1 1 95 95 CYS C C 13 174.8 0.05 . . . . . . . . . . 5578 1 1161 . 1 1 95 95 CYS CA C 13 55.7 0.05 . . . . . . . . . . 5578 1 1162 . 1 1 95 95 CYS CB C 13 26.7 0.05 . . . . . . . . . . 5578 1 1163 . 1 1 95 95 CYS HA H 1 4.71 0.02 . . . . . . . . . . 5578 1 1164 . 1 1 95 95 CYS H H 1 8.94 0.02 . . . . . . . . . . 5578 1 1165 . 1 1 95 95 CYS N N 15 126.8 0.05 . . . . . . . . . . 5578 1 1166 . 1 1 96 96 VAL HG11 H 1 0.90 0.02 . . . . . . . . . . 5578 1 1167 . 1 1 96 96 VAL HG12 H 1 0.90 0.02 . . . . . . . . . . 5578 1 1168 . 1 1 96 96 VAL HG13 H 1 0.90 0.02 . . . . . . . . . . 5578 1 1169 . 1 1 96 96 VAL HG21 H 1 0.92 0.02 . . . . . . . . . . 5578 1 1170 . 1 1 96 96 VAL HG22 H 1 0.92 0.02 . . . . . . . . . . 5578 1 1171 . 1 1 96 96 VAL HG23 H 1 0.92 0.02 . . . . . . . . . . 5578 1 1172 . 1 1 96 96 VAL C C 13 173.5 0.05 . . . . . . . . . . 5578 1 1173 . 1 1 96 96 VAL CA C 13 61.5 0.05 . . . . . . . . . . 5578 1 1174 . 1 1 96 96 VAL CB C 13 34.2 0.05 . . . . . . . . . . 5578 1 1175 . 1 1 96 96 VAL CG1 C 13 21.1 0.05 . . . . . . . . . . 5578 1 1176 . 1 1 96 96 VAL CG2 C 13 20.7 0.05 . . . . . . . . . . 5578 1 1177 . 1 1 96 96 VAL HA H 1 4.25 0.02 . . . . . . . . . . 5578 1 1178 . 1 1 96 96 VAL HB H 1 1.92 0.02 . . . . . . . . . . 5578 1 1179 . 1 1 96 96 VAL H H 1 8.23 0.02 . . . . . . . . . . 5578 1 1180 . 1 1 96 96 VAL N N 15 133.9 0.05 . . . . . . . . . . 5578 1 1181 . 1 1 97 97 GLN HB2 H 1 1.76 0.02 . . . . . . . . . . 5578 1 1182 . 1 1 97 97 GLN HE21 H 1 9.16 0.02 . . . . . . . . . . 5578 1 1183 . 1 1 97 97 GLN HG2 H 1 2.41 0.02 . . . . . . . . . . 5578 1 1184 . 1 1 97 97 GLN HB3 H 1 1.76 0.02 . . . . . . . . . . 5578 1 1185 . 1 1 97 97 GLN HE22 H 1 5.78 0.02 . . . . . . . . . . 5578 1 1186 . 1 1 97 97 GLN HG3 H 1 2.41 0.02 . . . . . . . . . . 5578 1 1187 . 1 1 97 97 GLN C C 13 175.6 0.05 . . . . . . . . . . 5578 1 1188 . 1 1 97 97 GLN CA C 13 53.6 0.05 . . . . . . . . . . 5578 1 1189 . 1 1 97 97 GLN CB C 13 29.9 0.05 . . . . . . . . . . 5578 1 1190 . 1 1 97 97 GLN CG C 13 34.3 0.05 . . . . . . . . . . 5578 1 1191 . 1 1 97 97 GLN HA H 1 4.59 0.02 . . . . . . . . . . 5578 1 1192 . 1 1 97 97 GLN H H 1 8.13 0.02 . . . . . . . . . . 5578 1 1193 . 1 1 97 97 GLN N N 15 130.4 0.05 . . . . . . . . . . 5578 1 1194 . 1 1 97 97 GLN NE2 N 15 117.2 0.05 . . . . . . . . . . 5578 1 1195 . 1 1 98 98 LYS HB2 H 1 2.06 0.02 . . . . . . . . . . 5578 1 1196 . 1 1 98 98 LYS HD2 H 1 1.69 0.02 . . . . . . . . . . 5578 1 1197 . 1 1 98 98 LYS HE2 H 1 2.98 0.02 . . . . . . . . . . 5578 1 1198 . 1 1 98 98 LYS HG2 H 1 1.54 0.02 . . . . . . . . . . 5578 1 1199 . 1 1 98 98 LYS HB3 H 1 1.94 0.02 . . . . . . . . . . 5578 1 1200 . 1 1 98 98 LYS HD3 H 1 1.69 0.02 . . . . . . . . . . 5578 1 1201 . 1 1 98 98 LYS HE3 H 1 2.98 0.02 . . . . . . . . . . 5578 1 1202 . 1 1 98 98 LYS HG3 H 1 1.36 0.02 . . . . . . . . . . 5578 1 1203 . 1 1 98 98 LYS C C 13 176.9 0.05 . . . . . . . . . . 5578 1 1204 . 1 1 98 98 LYS CA C 13 57.2 0.05 . . . . . . . . . . 5578 1 1205 . 1 1 98 98 LYS CB C 13 32.6 0.05 . . . . . . . . . . 5578 1 1206 . 1 1 98 98 LYS CD C 13 29.4 0.05 . . . . . . . . . . 5578 1 1207 . 1 1 98 98 LYS CE C 13 42.1 0.05 . . . . . . . . . . 5578 1 1208 . 1 1 98 98 LYS CG C 13 25.5 0.05 . . . . . . . . . . 5578 1 1209 . 1 1 98 98 LYS HA H 1 4.37 0.02 . . . . . . . . . . 5578 1 1210 . 1 1 98 98 LYS H H 1 8.47 0.02 . . . . . . . . . . 5578 1 1211 . 1 1 98 98 LYS N N 15 129.2 0.05 . . . . . . . . . . 5578 1 1212 . 1 1 99 99 GLY HA2 H 1 4.23 0.02 . . . . . . . . . . 5578 1 1213 . 1 1 99 99 GLY HA3 H 1 3.97 0.02 . . . . . . . . . . 5578 1 1214 . 1 1 99 99 GLY C C 13 172.9 0.05 . . . . . . . . . . 5578 1 1215 . 1 1 99 99 GLY CA C 13 46.4 0.05 . . . . . . . . . . 5578 1 1216 . 1 1 99 99 GLY H H 1 8.45 0.02 . . . . . . . . . . 5578 1 1217 . 1 1 99 99 GLY N N 15 117.9 0.05 . . . . . . . . . . 5578 1 1218 . 1 1 100 100 GLU HB2 H 1 2.03 0.02 . . . . . . . . . . 5578 1 1219 . 1 1 100 100 GLU HG2 H 1 2.32 0.02 . . . . . . . . . . 5578 1 1220 . 1 1 100 100 GLU HB3 H 1 1.85 0.02 . . . . . . . . . . 5578 1 1221 . 1 1 100 100 GLU HG3 H 1 2.20 0.02 . . . . . . . . . . 5578 1 1222 . 1 1 100 100 GLU C C 13 177.6 0.05 . . . . . . . . . . 5578 1 1223 . 1 1 100 100 GLU CA C 13 58.9 0.05 . . . . . . . . . . 5578 1 1224 . 1 1 100 100 GLU CB C 13 31.0 0.05 . . . . . . . . . . 5578 1 1225 . 1 1 100 100 GLU CG C 13 36.4 0.05 . . . . . . . . . . 5578 1 1226 . 1 1 100 100 GLU HA H 1 3.98 0.02 . . . . . . . . . . 5578 1 1227 . 1 1 100 100 GLU H H 1 8.26 0.02 . . . . . . . . . . 5578 1 1228 . 1 1 100 100 GLU N N 15 124.6 0.05 . . . . . . . . . . 5578 1 1229 . 1 1 101 101 LYS HB2 H 1 1.96 0.02 . . . . . . . . . . 5578 1 1230 . 1 1 101 101 LYS HD2 H 1 1.76 0.02 . . . . . . . . . . 5578 1 1231 . 1 1 101 101 LYS HE2 H 1 2.34 0.02 . . . . . . . . . . 5578 1 1232 . 1 1 101 101 LYS HG2 H 1 1.24 0.02 . . . . . . . . . . 5578 1 1233 . 1 1 101 101 LYS HB3 H 1 1.96 0.02 . . . . . . . . . . 5578 1 1234 . 1 1 101 101 LYS HD3 H 1 1.54 0.02 . . . . . . . . . . 5578 1 1235 . 1 1 101 101 LYS HE3 H 1 2.34 0.02 . . . . . . . . . . 5578 1 1236 . 1 1 101 101 LYS HG3 H 1 1.24 0.02 . . . . . . . . . . 5578 1 1237 . 1 1 101 101 LYS C C 13 176.7 0.05 . . . . . . . . . . 5578 1 1238 . 1 1 101 101 LYS CA C 13 53.2 0.05 . . . . . . . . . . 5578 1 1239 . 1 1 101 101 LYS CB C 13 31.4 0.05 . . . . . . . . . . 5578 1 1240 . 1 1 101 101 LYS CD C 13 28.0 0.05 . . . . . . . . . . 5578 1 1241 . 1 1 101 101 LYS CE C 13 44.6 0.05 . . . . . . . . . . 5578 1 1242 . 1 1 101 101 LYS CG C 13 23.9 0.05 . . . . . . . . . . 5578 1 1243 . 1 1 101 101 LYS HA H 1 4.56 0.02 . . . . . . . . . . 5578 1 1244 . 1 1 101 101 LYS H H 1 7.45 0.02 . . . . . . . . . . 5578 1 1245 . 1 1 101 101 LYS N N 15 117.8 0.05 . . . . . . . . . . 5578 1 1246 . 1 1 102 102 GLU HB2 H 1 1.95 0.02 . . . . . . . . . . 5578 1 1247 . 1 1 102 102 GLU HG2 H 1 2.27 0.02 . . . . . . . . . . 5578 1 1248 . 1 1 102 102 GLU HB3 H 1 1.95 0.02 . . . . . . . . . . 5578 1 1249 . 1 1 102 102 GLU HG3 H 1 2.36 0.02 . . . . . . . . . . 5578 1 1250 . 1 1 102 102 GLU C C 13 177.6 0.05 . . . . . . . . . . 5578 1 1251 . 1 1 102 102 GLU CA C 13 55.9 0.05 . . . . . . . . . . 5578 1 1252 . 1 1 102 102 GLU CB C 13 30.8 0.05 . . . . . . . . . . 5578 1 1253 . 1 1 102 102 GLU CG C 13 36.2 0.05 . . . . . . . . . . 5578 1 1254 . 1 1 102 102 GLU HA H 1 4.22 0.02 . . . . . . . . . . 5578 1 1255 . 1 1 102 102 GLU H H 1 9.56 0.02 . . . . . . . . . . 5578 1 1256 . 1 1 102 102 GLU N N 15 130.7 0.05 . . . . . . . . . . 5578 1 1257 . 1 1 103 103 GLY HA2 H 1 3.73 0.02 . . . . . . . . . . 5578 1 1258 . 1 1 103 103 GLY HA3 H 1 3.73 0.02 . . . . . . . . . . 5578 1 1259 . 1 1 103 103 GLY C C 13 174.9 0.05 . . . . . . . . . . 5578 1 1260 . 1 1 103 103 GLY CA C 13 46.9 0.05 . . . . . . . . . . 5578 1 1261 . 1 1 103 103 GLY H H 1 8.92 0.02 . . . . . . . . . . 5578 1 1262 . 1 1 103 103 GLY N N 15 113.8 0.05 . . . . . . . . . . 5578 1 1263 . 1 1 104 104 ARG HB2 H 1 1.17 0.02 . . . . . . . . . . 5578 1 1264 . 1 1 104 104 ARG HD2 H 1 3.02 0.02 . . . . . . . . . . 5578 1 1265 . 1 1 104 104 ARG HG2 H 1 1.68 0.02 . . . . . . . . . . 5578 1 1266 . 1 1 104 104 ARG HB3 H 1 1.17 0.02 . . . . . . . . . . 5578 1 1267 . 1 1 104 104 ARG HD3 H 1 3.02 0.02 . . . . . . . . . . 5578 1 1268 . 1 1 104 104 ARG HG3 H 1 1.68 0.02 . . . . . . . . . . 5578 1 1269 . 1 1 104 104 ARG C C 13 175.9 0.05 . . . . . . . . . . 5578 1 1270 . 1 1 104 104 ARG CA C 13 54.7 0.05 . . . . . . . . . . 5578 1 1271 . 1 1 104 104 ARG CB C 13 31.8 0.05 . . . . . . . . . . 5578 1 1272 . 1 1 104 104 ARG CD C 13 44.5 0.05 . . . . . . . . . . 5578 1 1273 . 1 1 104 104 ARG CG C 13 27.4 0.05 . . . . . . . . . . 5578 1 1274 . 1 1 104 104 ARG HA H 1 5.38 0.02 . . . . . . . . . . 5578 1 1275 . 1 1 104 104 ARG H H 1 8.17 0.02 . . . . . . . . . . 5578 1 1276 . 1 1 104 104 ARG N N 15 126.2 0.05 . . . . . . . . . . 5578 1 1277 . 1 1 105 105 GLY HA2 H 1 4.68 0.02 . . . . . . . . . . 5578 1 1278 . 1 1 105 105 GLY HA3 H 1 4.00 0.02 . . . . . . . . . . 5578 1 1279 . 1 1 105 105 GLY C C 13 171.6 0.05 . . . . . . . . . . 5578 1 1280 . 1 1 105 105 GLY CA C 13 45.8 0.05 . . . . . . . . . . 5578 1 1281 . 1 1 105 105 GLY H H 1 8.90 0.02 . . . . . . . . . . 5578 1 1282 . 1 1 105 105 GLY N N 15 120.2 0.05 . . . . . . . . . . 5578 1 1283 . 1 1 106 106 TRP HB2 H 1 3.86 0.02 . . . . . . . . . . 5578 1 1284 . 1 1 106 106 TRP HB3 H 1 3.43 0.02 . . . . . . . . . . 5578 1 1285 . 1 1 106 106 TRP C C 13 175.0 0.05 . . . . . . . . . . 5578 1 1286 . 1 1 106 106 TRP CA C 13 56.0 0.05 . . . . . . . . . . 5578 1 1287 . 1 1 106 106 TRP CB C 13 32.6 0.05 . . . . . . . . . . 5578 1 1288 . 1 1 106 106 TRP HA H 1 5.62 0.02 . . . . . . . . . . 5578 1 1289 . 1 1 106 106 TRP HD1 H 1 6.86 0.02 . . . . . . . . . . 5578 1 1290 . 1 1 106 106 TRP HE1 H 1 9.76 0.02 . . . . . . . . . . 5578 1 1291 . 1 1 106 106 TRP H H 1 8.60 0.02 . . . . . . . . . . 5578 1 1292 . 1 1 106 106 TRP N N 15 120.2 0.05 . . . . . . . . . . 5578 1 1293 . 1 1 106 106 TRP NE1 N 15 135.8 0.05 . . . . . . . . . . 5578 1 1294 . 1 1 107 107 THR HG21 H 1 1.50 0.02 . . . . . . . . . . 5578 1 1295 . 1 1 107 107 THR HG22 H 1 1.50 0.02 . . . . . . . . . . 5578 1 1296 . 1 1 107 107 THR HG23 H 1 1.50 0.02 . . . . . . . . . . 5578 1 1297 . 1 1 107 107 THR C C 13 173.0 0.05 . . . . . . . . . . 5578 1 1298 . 1 1 107 107 THR CA C 13 62.3 0.05 . . . . . . . . . . 5578 1 1299 . 1 1 107 107 THR CB C 13 72.8 0.05 . . . . . . . . . . 5578 1 1300 . 1 1 107 107 THR CG2 C 13 22.8 0.05 . . . . . . . . . . 5578 1 1301 . 1 1 107 107 THR HA H 1 5.65 0.02 . . . . . . . . . . 5578 1 1302 . 1 1 107 107 THR HB H 1 4.13 0.02 . . . . . . . . . . 5578 1 1303 . 1 1 107 107 THR H H 1 9.58 0.02 . . . . . . . . . . 5578 1 1304 . 1 1 107 107 THR N N 15 120.1 0.05 . . . . . . . . . . 5578 1 1305 . 1 1 108 108 GLN HB2 H 1 2.06 0.02 . . . . . . . . . . 5578 1 1306 . 1 1 108 108 GLN HE21 H 1 3.78 0.02 . . . . . . . . . . 5578 1 1307 . 1 1 108 108 GLN HG2 H 1 1.95 0.02 . . . . . . . . . . 5578 1 1308 . 1 1 108 108 GLN HB3 H 1 2.06 0.02 . . . . . . . . . . 5578 1 1309 . 1 1 108 108 GLN HE22 H 1 3.59 0.02 . . . . . . . . . . 5578 1 1310 . 1 1 108 108 GLN HG3 H 1 1.95 0.02 . . . . . . . . . . 5578 1 1311 . 1 1 108 108 GLN C C 13 174.1 0.05 . . . . . . . . . . 5578 1 1312 . 1 1 108 108 GLN CA C 13 54.5 0.05 . . . . . . . . . . 5578 1 1313 . 1 1 108 108 GLN CB C 13 36.2 0.05 . . . . . . . . . . 5578 1 1314 . 1 1 108 108 GLN CG C 13 35.7 0.05 . . . . . . . . . . 5578 1 1315 . 1 1 108 108 GLN HA H 1 6.08 0.02 . . . . . . . . . . 5578 1 1316 . 1 1 108 108 GLN H H 1 10.03 0.02 . . . . . . . . . . 5578 1 1317 . 1 1 108 108 GLN N N 15 131.7 0.05 . . . . . . . . . . 5578 1 1318 . 1 1 108 108 GLN NE2 N 15 102.0 0.05 . . . . . . . . . . 5578 1 1319 . 1 1 109 109 TRP HB2 H 1 3.79 0.02 . . . . . . . . . . 5578 1 1320 . 1 1 109 109 TRP HB3 H 1 3.59 0.02 . . . . . . . . . . 5578 1 1321 . 1 1 109 109 TRP C C 13 171.9 0.05 . . . . . . . . . . 5578 1 1322 . 1 1 109 109 TRP CA C 13 57.8 0.05 . . . . . . . . . . 5578 1 1323 . 1 1 109 109 TRP CB C 13 31.8 0.05 . . . . . . . . . . 5578 1 1324 . 1 1 109 109 TRP HA H 1 5.45 0.02 . . . . . . . . . . 5578 1 1325 . 1 1 109 109 TRP HD1 H 1 7.04 0.02 . . . . . . . . . . 5578 1 1326 . 1 1 109 109 TRP HE1 H 1 11.25 0.02 . . . . . . . . . . 5578 1 1327 . 1 1 109 109 TRP H H 1 9.64 0.02 . . . . . . . . . . 5578 1 1328 . 1 1 109 109 TRP N N 15 129.9 0.05 . . . . . . . . . . 5578 1 1329 . 1 1 109 109 TRP NE1 N 15 137.9 0.05 . . . . . . . . . . 5578 1 1330 . 1 1 110 110 ILE HD11 H 1 0.60 0.02 . . . . . . . . . . 5578 1 1331 . 1 1 110 110 ILE HD12 H 1 0.60 0.02 . . . . . . . . . . 5578 1 1332 . 1 1 110 110 ILE HD13 H 1 0.60 0.02 . . . . . . . . . . 5578 1 1333 . 1 1 110 110 ILE HG12 H 1 1.31 0.02 . . . . . . . . . . 5578 1 1334 . 1 1 110 110 ILE HG21 H 1 0.97 0.02 . . . . . . . . . . 5578 1 1335 . 1 1 110 110 ILE HG22 H 1 0.97 0.02 . . . . . . . . . . 5578 1 1336 . 1 1 110 110 ILE HG23 H 1 0.97 0.02 . . . . . . . . . . 5578 1 1337 . 1 1 110 110 ILE HG13 H 1 0.77 0.02 . . . . . . . . . . 5578 1 1338 . 1 1 110 110 ILE C C 13 176.8 0.05 . . . . . . . . . . 5578 1 1339 . 1 1 110 110 ILE CA C 13 59.7 0.05 . . . . . . . . . . 5578 1 1340 . 1 1 110 110 ILE CB C 13 41.2 0.05 . . . . . . . . . . 5578 1 1341 . 1 1 110 110 ILE CD1 C 13 14.4 0.05 . . . . . . . . . . 5578 1 1342 . 1 1 110 110 ILE CG1 C 13 28.0 0.05 . . . . . . . . . . 5578 1 1343 . 1 1 110 110 ILE CG2 C 13 18.4 0.05 . . . . . . . . . . 5578 1 1344 . 1 1 110 110 ILE HA H 1 5.17 0.02 . . . . . . . . . . 5578 1 1345 . 1 1 110 110 ILE HB H 1 1.60 0.02 . . . . . . . . . . 5578 1 1346 . 1 1 110 110 ILE H H 1 9.35 0.02 . . . . . . . . . . 5578 1 1347 . 1 1 110 110 ILE N N 15 124.1 0.05 . . . . . . . . . . 5578 1 1348 . 1 1 111 111 GLU HB2 H 1 1.97 0.02 . . . . . . . . . . 5578 1 1349 . 1 1 111 111 GLU HG2 H 1 2.27 0.02 . . . . . . . . . . 5578 1 1350 . 1 1 111 111 GLU HB3 H 1 1.97 0.02 . . . . . . . . . . 5578 1 1351 . 1 1 111 111 GLU HG3 H 1 2.04 0.02 . . . . . . . . . . 5578 1 1352 . 1 1 111 111 GLU C C 13 176.9 0.05 . . . . . . . . . . 5578 1 1353 . 1 1 111 111 GLU CA C 13 55.3 0.05 . . . . . . . . . . 5578 1 1354 . 1 1 111 111 GLU CB C 13 31.2 0.05 . . . . . . . . . . 5578 1 1355 . 1 1 111 111 GLU CG C 13 35.4 0.05 . . . . . . . . . . 5578 1 1356 . 1 1 111 111 GLU HA H 1 4.68 0.02 . . . . . . . . . . 5578 1 1357 . 1 1 111 111 GLU H H 1 9.07 0.02 . . . . . . . . . . 5578 1 1358 . 1 1 111 111 GLU N N 15 129.8 0.05 . . . . . . . . . . 5578 1 1359 . 1 1 112 112 GLY HA2 H 1 4.10 0.02 . . . . . . . . . . 5578 1 1360 . 1 1 112 112 GLY HA3 H 1 3.73 0.02 . . . . . . . . . . 5578 1 1361 . 1 1 112 112 GLY C C 13 173.8 0.05 . . . . . . . . . . 5578 1 1362 . 1 1 112 112 GLY CA C 13 47.7 0.05 . . . . . . . . . . 5578 1 1363 . 1 1 112 112 GLY H H 1 9.22 0.02 . . . . . . . . . . 5578 1 1364 . 1 1 112 112 GLY N N 15 120.1 0.05 . . . . . . . . . . 5578 1 1365 . 1 1 113 113 ASP HB2 H 1 3.04 0.02 . . . . . . . . . . 5578 1 1366 . 1 1 113 113 ASP HB3 H 1 2.77 0.02 . . . . . . . . . . 5578 1 1367 . 1 1 113 113 ASP C C 13 174.5 0.05 . . . . . . . . . . 5578 1 1368 . 1 1 113 113 ASP CA C 13 53.2 0.05 . . . . . . . . . . 5578 1 1369 . 1 1 113 113 ASP CB C 13 40.3 0.05 . . . . . . . . . . 5578 1 1370 . 1 1 113 113 ASP HA H 1 4.84 0.02 . . . . . . . . . . 5578 1 1371 . 1 1 113 113 ASP H H 1 8.56 0.02 . . . . . . . . . . 5578 1 1372 . 1 1 113 113 ASP N N 15 130.8 0.05 . . . . . . . . . . 5578 1 1373 . 1 1 114 114 GLU HB2 H 1 2.58 0.02 . . . . . . . . . . 5578 1 1374 . 1 1 114 114 GLU HG2 H 1 2.62 0.02 . . . . . . . . . . 5578 1 1375 . 1 1 114 114 GLU HB3 H 1 1.77 0.02 . . . . . . . . . . 5578 1 1376 . 1 1 114 114 GLU HG3 H 1 2.05 0.02 . . . . . . . . . . 5578 1 1377 . 1 1 114 114 GLU C C 13 174.9 0.05 . . . . . . . . . . 5578 1 1378 . 1 1 114 114 GLU CA C 13 54.3 0.05 . . . . . . . . . . 5578 1 1379 . 1 1 114 114 GLU CB C 13 32.5 0.05 . . . . . . . . . . 5578 1 1380 . 1 1 114 114 GLU CG C 13 35.9 0.05 . . . . . . . . . . 5578 1 1381 . 1 1 114 114 GLU HA H 1 5.55 0.02 . . . . . . . . . . 5578 1 1382 . 1 1 114 114 GLU H H 1 8.41 0.02 . . . . . . . . . . 5578 1 1383 . 1 1 114 114 GLU N N 15 120.9 0.05 . . . . . . . . . . 5578 1 1384 . 1 1 115 115 LEU HB2 H 1 0.99 0.02 . . . . . . . . . . 5578 1 1385 . 1 1 115 115 LEU HD11 H 1 -0.17 0.02 . . . . . . . . . . 5578 1 1386 . 1 1 115 115 LEU HD12 H 1 -0.17 0.02 . . . . . . . . . . 5578 1 1387 . 1 1 115 115 LEU HD13 H 1 -0.17 0.02 . . . . . . . . . . 5578 1 1388 . 1 1 115 115 LEU HD21 H 1 -0.42 0.02 . . . . . . . . . . 5578 1 1389 . 1 1 115 115 LEU HD22 H 1 -0.42 0.02 . . . . . . . . . . 5578 1 1390 . 1 1 115 115 LEU HD23 H 1 -0.42 0.02 . . . . . . . . . . 5578 1 1391 . 1 1 115 115 LEU HB3 H 1 -0.11 0.02 . . . . . . . . . . 5578 1 1392 . 1 1 115 115 LEU C C 13 174.6 0.05 . . . . . . . . . . 5578 1 1393 . 1 1 115 115 LEU CA C 13 53.9 0.05 . . . . . . . . . . 5578 1 1394 . 1 1 115 115 LEU CB C 13 43.9 0.05 . . . . . . . . . . 5578 1 1395 . 1 1 115 115 LEU CD1 C 13 25.4 0.05 . . . . . . . . . . 5578 1 1396 . 1 1 115 115 LEU CD2 C 13 24.8 0.05 . . . . . . . . . . 5578 1 1397 . 1 1 115 115 LEU CG C 13 26.5 0.05 . . . . . . . . . . 5578 1 1398 . 1 1 115 115 LEU HA H 1 4.46 0.02 . . . . . . . . . . 5578 1 1399 . 1 1 115 115 LEU HG H 1 0.73 0.02 . . . . . . . . . . 5578 1 1400 . 1 1 115 115 LEU H H 1 8.93 0.02 . . . . . . . . . . 5578 1 1401 . 1 1 115 115 LEU N N 15 129.2 0.05 . . . . . . . . . . 5578 1 1402 . 1 1 116 116 HIS HB2 H 1 0.78 0.02 . . . . . . . . . . 5578 1 1403 . 1 1 116 116 HIS HB3 H 1 0.52 0.02 . . . . . . . . . . 5578 1 1404 . 1 1 116 116 HIS C C 13 173.0 0.05 . . . . . . . . . . 5578 1 1405 . 1 1 116 116 HIS CA C 13 55.8 0.05 . . . . . . . . . . 5578 1 1406 . 1 1 116 116 HIS CB C 13 32.3 0.05 . . . . . . . . . . 5578 1 1407 . 1 1 116 116 HIS HA H 1 4.19 0.02 . . . . . . . . . . 5578 1 1408 . 1 1 116 116 HIS HD2 H 1 6.58 0.02 . . . . . . . . . . 5578 1 1409 . 1 1 116 116 HIS HE1 H 1 7.22 0.02 . . . . . . . . . . 5578 1 1410 . 1 1 116 116 HIS H H 1 9.24 0.02 . . . . . . . . . . 5578 1 1411 . 1 1 116 116 HIS N N 15 131.9 0.05 . . . . . . . . . . 5578 1 1412 . 1 1 117 117 LEU HB2 H 1 1.73 0.02 . . . . . . . . . . 5578 1 1413 . 1 1 117 117 LEU HD11 H 1 0.69 0.02 . . . . . . . . . . 5578 1 1414 . 1 1 117 117 LEU HD12 H 1 0.69 0.02 . . . . . . . . . . 5578 1 1415 . 1 1 117 117 LEU HD13 H 1 0.69 0.02 . . . . . . . . . . 5578 1 1416 . 1 1 117 117 LEU HD21 H 1 0.69 0.02 . . . . . . . . . . 5578 1 1417 . 1 1 117 117 LEU HD22 H 1 0.69 0.02 . . . . . . . . . . 5578 1 1418 . 1 1 117 117 LEU HD23 H 1 0.69 0.02 . . . . . . . . . . 5578 1 1419 . 1 1 117 117 LEU HB3 H 1 0.89 0.02 . . . . . . . . . . 5578 1 1420 . 1 1 117 117 LEU C C 13 174.0 0.05 . . . . . . . . . . 5578 1 1421 . 1 1 117 117 LEU CA C 13 53.2 0.05 . . . . . . . . . . 5578 1 1422 . 1 1 117 117 LEU CB C 13 46.6 0.05 . . . . . . . . . . 5578 1 1423 . 1 1 117 117 LEU CD1 C 13 22.8 0.05 . . . . . . . . . . 5578 1 1424 . 1 1 117 117 LEU CD2 C 13 22.8 0.05 . . . . . . . . . . 5578 1 1425 . 1 1 117 117 LEU CG C 13 27.1 0.05 . . . . . . . . . . 5578 1 1426 . 1 1 117 117 LEU HA H 1 5.22 0.02 . . . . . . . . . . 5578 1 1427 . 1 1 117 117 LEU HG H 1 0.49 0.02 . . . . . . . . . . 5578 1 1428 . 1 1 117 117 LEU H H 1 8.50 0.02 . . . . . . . . . . 5578 1 1429 . 1 1 117 117 LEU N N 15 126.0 0.05 . . . . . . . . . . 5578 1 1430 . 1 1 118 118 GLU HB2 H 1 2.24 0.02 . . . . . . . . . . 5578 1 1431 . 1 1 118 118 GLU HG2 H 1 2.45 0.02 . . . . . . . . . . 5578 1 1432 . 1 1 118 118 GLU HB3 H 1 2.24 0.02 . . . . . . . . . . 5578 1 1433 . 1 1 118 118 GLU HG3 H 1 2.14 0.02 . . . . . . . . . . 5578 1 1434 . 1 1 118 118 GLU C C 13 175.6 0.05 . . . . . . . . . . 5578 1 1435 . 1 1 118 118 GLU CA C 13 54.3 0.05 . . . . . . . . . . 5578 1 1436 . 1 1 118 118 GLU CB C 13 33.8 0.05 . . . . . . . . . . 5578 1 1437 . 1 1 118 118 GLU CG C 13 38.8 0.05 . . . . . . . . . . 5578 1 1438 . 1 1 118 118 GLU HA H 1 5.41 0.02 . . . . . . . . . . 5578 1 1439 . 1 1 118 118 GLU H H 1 9.49 0.02 . . . . . . . . . . 5578 1 1440 . 1 1 118 118 GLU N N 15 131.6 0.05 . . . . . . . . . . 5578 1 1441 . 1 1 119 119 MET HB2 H 1 1.70 0.02 . . . . . . . . . . 5578 1 1442 . 1 1 119 119 MET HG2 H 1 1.89 0.02 . . . . . . . . . . 5578 1 1443 . 1 1 119 119 MET HB3 H 1 1.31 0.02 . . . . . . . . . . 5578 1 1444 . 1 1 119 119 MET HG3 H 1 1.74 0.02 . . . . . . . . . . 5578 1 1445 . 1 1 119 119 MET C C 13 174.0 0.05 . . . . . . . . . . 5578 1 1446 . 1 1 119 119 MET CA C 13 54.4 0.05 . . . . . . . . . . 5578 1 1447 . 1 1 119 119 MET CB C 13 35.2 0.05 . . . . . . . . . . 5578 1 1448 . 1 1 119 119 MET CG C 13 31.5 0.05 . . . . . . . . . . 5578 1 1449 . 1 1 119 119 MET HA H 1 5.09 0.02 . . . . . . . . . . 5578 1 1450 . 1 1 119 119 MET H H 1 9.42 0.02 . . . . . . . . . . 5578 1 1451 . 1 1 119 119 MET N N 15 126.8 0.05 . . . . . . . . . . 5578 1 1452 . 1 1 120 120 ARG HB2 H 1 1.85 0.02 . . . . . . . . . . 5578 1 1453 . 1 1 120 120 ARG HD2 H 1 3.30 0.02 . . . . . . . . . . 5578 1 1454 . 1 1 120 120 ARG HG2 H 1 1.95 0.02 . . . . . . . . . . 5578 1 1455 . 1 1 120 120 ARG HB3 H 1 1.72 0.02 . . . . . . . . . . 5578 1 1456 . 1 1 120 120 ARG HD3 H 1 3.06 0.02 . . . . . . . . . . 5578 1 1457 . 1 1 120 120 ARG HG3 H 1 1.61 0.02 . . . . . . . . . . 5578 1 1458 . 1 1 120 120 ARG C C 13 176.6 0.05 . . . . . . . . . . 5578 1 1459 . 1 1 120 120 ARG CA C 13 54.2 0.05 . . . . . . . . . . 5578 1 1460 . 1 1 120 120 ARG CB C 13 35.2 0.05 . . . . . . . . . . 5578 1 1461 . 1 1 120 120 ARG CD C 13 42.9 0.05 . . . . . . . . . . 5578 1 1462 . 1 1 120 120 ARG CG C 13 26.7 0.05 . . . . . . . . . . 5578 1 1463 . 1 1 120 120 ARG HA H 1 5.99 0.02 . . . . . . . . . . 5578 1 1464 . 1 1 120 120 ARG H H 1 9.10 0.02 . . . . . . . . . . 5578 1 1465 . 1 1 120 120 ARG N N 15 123.3 0.05 . . . . . . . . . . 5578 1 1466 . 1 1 121 121 ALA HB1 H 1 1.22 0.02 . . . . . . . . . . 5578 1 1467 . 1 1 121 121 ALA HB2 H 1 1.22 0.02 . . . . . . . . . . 5578 1 1468 . 1 1 121 121 ALA HB3 H 1 1.22 0.02 . . . . . . . . . . 5578 1 1469 . 1 1 121 121 ALA C C 13 175.6 0.05 . . . . . . . . . . 5578 1 1470 . 1 1 121 121 ALA CA C 13 54.1 0.05 . . . . . . . . . . 5578 1 1471 . 1 1 121 121 ALA CB C 13 21.3 0.05 . . . . . . . . . . 5578 1 1472 . 1 1 121 121 ALA HA H 1 4.20 0.02 . . . . . . . . . . 5578 1 1473 . 1 1 121 121 ALA H H 1 8.55 0.02 . . . . . . . . . . 5578 1 1474 . 1 1 121 121 ALA N N 15 122.7 0.05 . . . . . . . . . . 5578 1 1475 . 1 1 122 122 GLU HB2 H 1 2.43 0.02 . . . . . . . . . . 5578 1 1476 . 1 1 122 122 GLU HG2 H 1 2.35 0.02 . . . . . . . . . . 5578 1 1477 . 1 1 122 122 GLU HB3 H 1 1.85 0.02 . . . . . . . . . . 5578 1 1478 . 1 1 122 122 GLU HG3 H 1 2.35 0.02 . . . . . . . . . . 5578 1 1479 . 1 1 122 122 GLU C C 13 176.0 0.05 . . . . . . . . . . 5578 1 1480 . 1 1 122 122 GLU CA C 13 57.1 0.05 . . . . . . . . . . 5578 1 1481 . 1 1 122 122 GLU CB C 13 27.2 0.05 . . . . . . . . . . 5578 1 1482 . 1 1 122 122 GLU CG C 13 35.9 0.05 . . . . . . . . . . 5578 1 1483 . 1 1 122 122 GLU HA H 1 3.73 0.02 . . . . . . . . . . 5578 1 1484 . 1 1 122 122 GLU H H 1 8.93 0.02 . . . . . . . . . . 5578 1 1485 . 1 1 122 122 GLU N N 15 121.5 0.05 . . . . . . . . . . 5578 1 1486 . 1 1 123 123 GLY HA2 H 1 4.20 0.02 . . . . . . . . . . 5578 1 1487 . 1 1 123 123 GLY HA3 H 1 3.59 0.02 . . . . . . . . . . 5578 1 1488 . 1 1 123 123 GLY C C 13 175.3 0.05 . . . . . . . . . . 5578 1 1489 . 1 1 123 123 GLY CA C 13 45.5 0.05 . . . . . . . . . . 5578 1 1490 . 1 1 123 123 GLY H H 1 8.93 0.02 . . . . . . . . . . 5578 1 1491 . 1 1 123 123 GLY N N 15 108.1 0.05 . . . . . . . . . . 5578 1 1492 . 1 1 124 124 VAL HG11 H 1 0.98 0.02 . . . . . . . . . . 5578 1 1493 . 1 1 124 124 VAL HG12 H 1 0.98 0.02 . . . . . . . . . . 5578 1 1494 . 1 1 124 124 VAL HG13 H 1 0.98 0.02 . . . . . . . . . . 5578 1 1495 . 1 1 124 124 VAL HG21 H 1 0.92 0.02 . . . . . . . . . . 5578 1 1496 . 1 1 124 124 VAL HG22 H 1 0.92 0.02 . . . . . . . . . . 5578 1 1497 . 1 1 124 124 VAL HG23 H 1 0.92 0.02 . . . . . . . . . . 5578 1 1498 . 1 1 124 124 VAL C C 13 175.5 0.05 . . . . . . . . . . 5578 1 1499 . 1 1 124 124 VAL CA C 13 62.2 0.05 . . . . . . . . . . 5578 1 1500 . 1 1 124 124 VAL CB C 13 32.9 0.05 . . . . . . . . . . 5578 1 1501 . 1 1 124 124 VAL CG1 C 13 21.3 0.05 . . . . . . . . . . 5578 1 1502 . 1 1 124 124 VAL CG2 C 13 21.6 0.05 . . . . . . . . . . 5578 1 1503 . 1 1 124 124 VAL HA H 1 4.20 0.02 . . . . . . . . . . 5578 1 1504 . 1 1 124 124 VAL HB H 1 2.31 0.02 . . . . . . . . . . 5578 1 1505 . 1 1 124 124 VAL H H 1 8.43 0.02 . . . . . . . . . . 5578 1 1506 . 1 1 124 124 VAL N N 15 128.1 0.05 . . . . . . . . . . 5578 1 1507 . 1 1 125 125 THR HG21 H 1 1.13 0.02 . . . . . . . . . . 5578 1 1508 . 1 1 125 125 THR HG22 H 1 1.13 0.02 . . . . . . . . . . 5578 1 1509 . 1 1 125 125 THR HG23 H 1 1.13 0.02 . . . . . . . . . . 5578 1 1510 . 1 1 125 125 THR C C 13 173.8 0.05 . . . . . . . . . . 5578 1 1511 . 1 1 125 125 THR CA C 13 61.6 0.05 . . . . . . . . . . 5578 1 1512 . 1 1 125 125 THR CB C 13 71.1 0.05 . . . . . . . . . . 5578 1 1513 . 1 1 125 125 THR CG2 C 13 21.9 0.05 . . . . . . . . . . 5578 1 1514 . 1 1 125 125 THR HA H 1 5.34 0.02 . . . . . . . . . . 5578 1 1515 . 1 1 125 125 THR HB H 1 3.93 0.02 . . . . . . . . . . 5578 1 1516 . 1 1 125 125 THR H H 1 8.56 0.02 . . . . . . . . . . 5578 1 1517 . 1 1 125 125 THR N N 15 124.3 0.05 . . . . . . . . . . 5578 1 1518 . 1 1 126 126 CYS HB2 H 1 3.18 0.02 . . . . . . . . . . 5578 1 1519 . 1 1 126 126 CYS HB3 H 1 3.18 0.02 . . . . . . . . . . 5578 1 1520 . 1 1 126 126 CYS C C 13 172.6 0.05 . . . . . . . . . . 5578 1 1521 . 1 1 126 126 CYS CA C 13 55.9 0.05 . . . . . . . . . . 5578 1 1522 . 1 1 126 126 CYS CB C 13 28.8 0.05 . . . . . . . . . . 5578 1 1523 . 1 1 126 126 CYS HA H 1 5.17 0.02 . . . . . . . . . . 5578 1 1524 . 1 1 126 126 CYS H H 1 9.58 0.02 . . . . . . . . . . 5578 1 1525 . 1 1 126 126 CYS N N 15 131.0 0.05 . . . . . . . . . . 5578 1 1526 . 1 1 127 127 LYS HB2 H 1 1.95 0.02 . . . . . . . . . . 5578 1 1527 . 1 1 127 127 LYS HD2 H 1 1.94 0.02 . . . . . . . . . . 5578 1 1528 . 1 1 127 127 LYS HE2 H 1 2.88 0.02 . . . . . . . . . . 5578 1 1529 . 1 1 127 127 LYS HG2 H 1 0.92 0.02 . . . . . . . . . . 5578 1 1530 . 1 1 127 127 LYS HB3 H 1 1.72 0.02 . . . . . . . . . . 5578 1 1531 . 1 1 127 127 LYS HD3 H 1 1.84 0.02 . . . . . . . . . . 5578 1 1532 . 1 1 127 127 LYS HE3 H 1 2.88 0.02 . . . . . . . . . . 5578 1 1533 . 1 1 127 127 LYS HG3 H 1 0.92 0.02 . . . . . . . . . . 5578 1 1534 . 1 1 127 127 LYS C C 13 175.3 0.05 . . . . . . . . . . 5578 1 1535 . 1 1 127 127 LYS CA C 13 53.2 0.05 . . . . . . . . . . 5578 1 1536 . 1 1 127 127 LYS CB C 13 34.8 0.05 . . . . . . . . . . 5578 1 1537 . 1 1 127 127 LYS CD C 13 27.2 0.05 . . . . . . . . . . 5578 1 1538 . 1 1 127 127 LYS CE C 13 43.6 0.05 . . . . . . . . . . 5578 1 1539 . 1 1 127 127 LYS CG C 13 24.9 0.05 . . . . . . . . . . 5578 1 1540 . 1 1 127 127 LYS HA H 1 5.49 0.02 . . . . . . . . . . 5578 1 1541 . 1 1 127 127 LYS H H 1 8.27 0.02 . . . . . . . . . . 5578 1 1542 . 1 1 127 127 LYS N N 15 132.0 0.05 . . . . . . . . . . 5578 1 1543 . 1 1 128 128 GLN HB2 H 1 1.93 0.02 . . . . . . . . . . 5578 1 1544 . 1 1 128 128 GLN HE21 H 1 6.23 0.02 . . . . . . . . . . 5578 1 1545 . 1 1 128 128 GLN HG2 H 1 1.38 0.02 . . . . . . . . . . 5578 1 1546 . 1 1 128 128 GLN HB3 H 1 1.93 0.02 . . . . . . . . . . 5578 1 1547 . 1 1 128 128 GLN HE22 H 1 4.86 0.02 . . . . . . . . . . 5578 1 1548 . 1 1 128 128 GLN HG3 H 1 1.38 0.02 . . . . . . . . . . 5578 1 1549 . 1 1 128 128 GLN C C 13 173.0 0.05 . . . . . . . . . . 5578 1 1550 . 1 1 128 128 GLN CA C 13 53.1 0.05 . . . . . . . . . . 5578 1 1551 . 1 1 128 128 GLN CB C 13 32.2 0.05 . . . . . . . . . . 5578 1 1552 . 1 1 128 128 GLN CG C 13 32.9 0.05 . . . . . . . . . . 5578 1 1553 . 1 1 128 128 GLN HA H 1 4.87 0.02 . . . . . . . . . . 5578 1 1554 . 1 1 128 128 GLN H H 1 9.65 0.02 . . . . . . . . . . 5578 1 1555 . 1 1 128 128 GLN N N 15 132.4 0.05 . . . . . . . . . . 5578 1 1556 . 1 1 128 128 GLN NE2 N 15 108.8 0.05 . . . . . . . . . . 5578 1 1557 . 1 1 129 129 VAL HG11 H 1 0.35 0.02 . . . . . . . . . . 5578 1 1558 . 1 1 129 129 VAL HG12 H 1 0.35 0.02 . . . . . . . . . . 5578 1 1559 . 1 1 129 129 VAL HG13 H 1 0.35 0.02 . . . . . . . . . . 5578 1 1560 . 1 1 129 129 VAL HG21 H 1 0.35 0.02 . . . . . . . . . . 5578 1 1561 . 1 1 129 129 VAL HG22 H 1 0.35 0.02 . . . . . . . . . . 5578 1 1562 . 1 1 129 129 VAL HG23 H 1 0.35 0.02 . . . . . . . . . . 5578 1 1563 . 1 1 129 129 VAL C C 13 174.6 0.05 . . . . . . . . . . 5578 1 1564 . 1 1 129 129 VAL CA C 13 60.2 0.05 . . . . . . . . . . 5578 1 1565 . 1 1 129 129 VAL CB C 13 33.8 0.05 . . . . . . . . . . 5578 1 1566 . 1 1 129 129 VAL CG1 C 13 21.5 0.05 . . . . . . . . . . 5578 1 1567 . 1 1 129 129 VAL CG2 C 13 21.5 0.05 . . . . . . . . . . 5578 1 1568 . 1 1 129 129 VAL HA H 1 4.67 0.02 . . . . . . . . . . 5578 1 1569 . 1 1 129 129 VAL HB H 1 1.56 0.02 . . . . . . . . . . 5578 1 1570 . 1 1 129 129 VAL H H 1 7.46 0.02 . . . . . . . . . . 5578 1 1571 . 1 1 129 129 VAL N N 15 123.1 0.05 . . . . . . . . . . 5578 1 1572 . 1 1 130 130 PHE HB2 H 1 2.80 0.02 . . . . . . . . . . 5578 1 1573 . 1 1 130 130 PHE HB3 H 1 2.80 0.02 . . . . . . . . . . 5578 1 1574 . 1 1 130 130 PHE C C 13 174.3 0.05 . . . . . . . . . . 5578 1 1575 . 1 1 130 130 PHE CA C 13 55.2 0.05 . . . . . . . . . . 5578 1 1576 . 1 1 130 130 PHE CB C 13 43.9 0.05 . . . . . . . . . . 5578 1 1577 . 1 1 130 130 PHE HA H 1 5.16 0.02 . . . . . . . . . . 5578 1 1578 . 1 1 130 130 PHE HD1 H 1 6.76 0.02 . . . . . . . . . . 5578 1 1579 . 1 1 130 130 PHE HD2 H 1 6.76 0.02 . . . . . . . . . . 5578 1 1580 . 1 1 130 130 PHE HE1 H 1 6.89 0.02 . . . . . . . . . . 5578 1 1581 . 1 1 130 130 PHE HE2 H 1 6.89 0.02 . . . . . . . . . . 5578 1 1582 . 1 1 130 130 PHE H H 1 9.43 0.02 . . . . . . . . . . 5578 1 1583 . 1 1 130 130 PHE N N 15 129.0 0.05 . . . . . . . . . . 5578 1 1584 . 1 1 131 131 LYS HB2 H 1 2.00 0.02 . . . . . . . . . . 5578 1 1585 . 1 1 131 131 LYS HD2 H 1 1.74 0.02 . . . . . . . . . . 5578 1 1586 . 1 1 131 131 LYS HE2 H 1 3.06 0.02 . . . . . . . . . . 5578 1 1587 . 1 1 131 131 LYS HG2 H 1 1.54 0.02 . . . . . . . . . . 5578 1 1588 . 1 1 131 131 LYS HB3 H 1 1.73 0.02 . . . . . . . . . . 5578 1 1589 . 1 1 131 131 LYS HD3 H 1 1.74 0.02 . . . . . . . . . . 5578 1 1590 . 1 1 131 131 LYS HE3 H 1 3.06 0.02 . . . . . . . . . . 5578 1 1591 . 1 1 131 131 LYS HG3 H 1 0.86 0.02 . . . . . . . . . . 5578 1 1592 . 1 1 131 131 LYS C C 13 176.0 0.05 . . . . . . . . . . 5578 1 1593 . 1 1 131 131 LYS CA C 13 54.3 0.05 . . . . . . . . . . 5578 1 1594 . 1 1 131 131 LYS CB C 13 36.6 0.05 . . . . . . . . . . 5578 1 1595 . 1 1 131 131 LYS CD C 13 29.2 0.05 . . . . . . . . . . 5578 1 1596 . 1 1 131 131 LYS CE C 13 42.3 0.05 . . . . . . . . . . 5578 1 1597 . 1 1 131 131 LYS CG C 13 24.8 0.05 . . . . . . . . . . 5578 1 1598 . 1 1 131 131 LYS HA H 1 5.32 0.02 . . . . . . . . . . 5578 1 1599 . 1 1 131 131 LYS H H 1 9.77 0.02 . . . . . . . . . . 5578 1 1600 . 1 1 131 131 LYS N N 15 127.0 0.05 . . . . . . . . . . 5578 1 1601 . 1 1 132 132 LYS HB2 H 1 1.36 0.02 . . . . . . . . . . 5578 1 1602 . 1 1 132 132 LYS HD2 H 1 1.03 0.02 . . . . . . . . . . 5578 1 1603 . 1 1 132 132 LYS HE2 H 1 2.51 0.02 . . . . . . . . . . 5578 1 1604 . 1 1 132 132 LYS HG2 H 1 0.72 0.02 . . . . . . . . . . 5578 1 1605 . 1 1 132 132 LYS HB3 H 1 1.16 0.02 . . . . . . . . . . 5578 1 1606 . 1 1 132 132 LYS HD3 H 1 1.03 0.02 . . . . . . . . . . 5578 1 1607 . 1 1 132 132 LYS HE3 H 1 2.51 0.02 . . . . . . . . . . 5578 1 1608 . 1 1 132 132 LYS HG3 H 1 -0.19 0.02 . . . . . . . . . . 5578 1 1609 . 1 1 132 132 LYS C C 13 176.6 0.05 . . . . . . . . . . 5578 1 1610 . 1 1 132 132 LYS CA C 13 58.2 0.05 . . . . . . . . . . 5578 1 1611 . 1 1 132 132 LYS CB C 13 32.8 0.05 . . . . . . . . . . 5578 1 1612 . 1 1 132 132 LYS CD C 13 28.4 0.05 . . . . . . . . . . 5578 1 1613 . 1 1 132 132 LYS CE C 13 42.5 0.05 . . . . . . . . . . 5578 1 1614 . 1 1 132 132 LYS CG C 13 24.6 0.05 . . . . . . . . . . 5578 1 1615 . 1 1 132 132 LYS HA H 1 3.61 0.02 . . . . . . . . . . 5578 1 1616 . 1 1 132 132 LYS H H 1 8.94 0.02 . . . . . . . . . . 5578 1 1617 . 1 1 132 132 LYS N N 15 132.8 0.05 . . . . . . . . . . 5578 1 1618 . 1 1 133 133 VAL HG11 H 1 1.04 0.02 . . . . . . . . . . 5578 1 1619 . 1 1 133 133 VAL HG12 H 1 1.04 0.02 . . . . . . . . . . 5578 1 1620 . 1 1 133 133 VAL HG13 H 1 1.04 0.02 . . . . . . . . . . 5578 1 1621 . 1 1 133 133 VAL HG21 H 1 1.04 0.02 . . . . . . . . . . 5578 1 1622 . 1 1 133 133 VAL HG22 H 1 1.04 0.02 . . . . . . . . . . 5578 1 1623 . 1 1 133 133 VAL HG23 H 1 1.04 0.02 . . . . . . . . . . 5578 1 1624 . 1 1 133 133 VAL C C 13 175.7 0.05 . . . . . . . . . . 5578 1 1625 . 1 1 133 133 VAL CA C 13 62.7 0.05 . . . . . . . . . . 5578 1 1626 . 1 1 133 133 VAL CB C 13 32.8 0.05 . . . . . . . . . . 5578 1 1627 . 1 1 133 133 VAL CG1 C 13 22.3 0.05 . . . . . . . . . . 5578 1 1628 . 1 1 133 133 VAL CG2 C 13 22.3 0.05 . . . . . . . . . . 5578 1 1629 . 1 1 133 133 VAL HA H 1 4.12 0.02 . . . . . . . . . . 5578 1 1630 . 1 1 133 133 VAL HB H 1 1.99 0.02 . . . . . . . . . . 5578 1 1631 . 1 1 133 133 VAL H H 1 8.86 0.02 . . . . . . . . . . 5578 1 1632 . 1 1 133 133 VAL N N 15 130.0 0.05 . . . . . . . . . . 5578 1 1633 . 1 1 134 134 HIS HB2 H 1 3.17 0.02 . . . . . . . . . . 5578 1 1634 . 1 1 134 134 HIS HB3 H 1 3.04 0.02 . . . . . . . . . . 5578 1 1635 . 1 1 134 134 HIS C C 13 179.0 0.05 . . . . . . . . . . 5578 1 1636 . 1 1 134 134 HIS CA C 13 57.3 0.05 . . . . . . . . . . 5578 1 1637 . 1 1 134 134 HIS CB C 13 30.7 0.05 . . . . . . . . . . 5578 1 1638 . 1 1 134 134 HIS HA H 1 4.33 0.02 . . . . . . . . . . 5578 1 1639 . 1 1 134 134 HIS HD2 H 1 6.98 0.02 . . . . . . . . . . 5578 1 1640 . 1 1 134 134 HIS HE1 H 1 8.44 0.02 . . . . . . . . . . 5578 1 1641 . 1 1 134 134 HIS H H 1 7.89 0.02 . . . . . . . . . . 5578 1 1642 . 1 1 134 134 HIS N N 15 130.0 0.05 . . . . . . . . . . 5578 1 stop_ save_ save_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 5578 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 . 5578 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 1H16 H 1 1.13 0.02 . . . . . . . . . . 5578 2 2 . 2 2 1 1 RTL 2H16 H 1 1.13 0.02 . . . . . . . . . . 5578 2 3 . 2 2 1 1 RTL 3H16 H 1 1.13 0.02 . . . . . . . . . . 5578 2 4 . 2 2 1 1 RTL 1H17 H 1 1.13 0.02 . . . . . . . . . . 5578 2 5 . 2 2 1 1 RTL 2H17 H 1 1.13 0.02 . . . . . . . . . . 5578 2 6 . 2 2 1 1 RTL 3H17 H 1 1.13 0.02 . . . . . . . . . . 5578 2 7 . 2 2 1 1 RTL 1H18 H 1 1.71 0.02 . . . . . . . . . . 5578 2 8 . 2 2 1 1 RTL 2H18 H 1 1.71 0.02 . . . . . . . . . . 5578 2 9 . 2 2 1 1 RTL 3H18 H 1 1.71 0.02 . . . . . . . . . . 5578 2 10 . 2 2 1 1 RTL 1H19 H 1 2.06 0.02 . . . . . . . . . . 5578 2 11 . 2 2 1 1 RTL 2H19 H 1 2.06 0.02 . . . . . . . . . . 5578 2 12 . 2 2 1 1 RTL 3H19 H 1 2.06 0.02 . . . . . . . . . . 5578 2 13 . 2 2 1 1 RTL 1H20 H 1 0.91 0.02 . . . . . . . . . . 5578 2 14 . 2 2 1 1 RTL 2H20 H 1 0.91 0.02 . . . . . . . . . . 5578 2 15 . 2 2 1 1 RTL 3H20 H 1 0.91 0.02 . . . . . . . . . . 5578 2 16 . 2 2 1 1 RTL H7 H 1 6.62 0.02 . . . . . . . . . . 5578 2 17 . 2 2 1 1 RTL H8 H 1 6.39 0.02 . . . . . . . . . . 5578 2 18 . 2 2 1 1 RTL H10 H 1 6.05 0.02 . . . . . . . . . . 5578 2 19 . 2 2 1 1 RTL H11 H 1 6.68 0.02 . . . . . . . . . . 5578 2 20 . 2 2 1 1 RTL H12 H 1 6.40 0.02 . . . . . . . . . . 5578 2 21 . 2 2 1 1 RTL H14 H 1 5.25 0.02 . . . . . . . . . . 5578 2 22 . 2 2 1 1 RTL 1H15 H 1 2.99 0.02 . . . . . . . . . . 5578 2 23 . 2 2 1 1 RTL 2H15 H 1 2.17 0.02 . . . . . . . . . . 5578 2 24 . 2 2 1 1 RTL 1H2 H 1 4.07 0.02 . . . . . . . . . . 5578 2 25 . 2 2 1 1 RTL 2H2 H 1 4.07 0.02 . . . . . . . . . . 5578 2 stop_ save_