data_4830 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4830 _Entry.Title ; The Hairpin Structure of the (6)F1(1)F2(2)F2 Fragment from Human Fibronectin Enhances Gelatin Binding ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-09-14 _Entry.Accession_date 2000-09-14 _Entry.Last_release_date 2001-08-01 _Entry.Original_release_date 2001-08-01 _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 Andrew Pickford . R. . 4830 2 Steven Smith . P. . 4830 3 David Staunton . . . 4830 4 Jonathan Boyd . . . 4830 5 Iain Campbell . D. . 4830 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4830 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 994 4830 '15N chemical shifts' 165 4830 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 . . 2001-08-01 2000-09-14 original author . 4830 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4830 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21181811 _Citation.DOI . _Citation.PubMed_ID 11285216 _Citation.Full_citation . _Citation.Title ; The Hairpin Structure of the (6)F1(1)F2(2)F2 Fragment from Human Fibronectin Enhances Gelatin Binding ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume 20 _Citation.Journal_issue 7 _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 1519 _Citation.Page_last 1529 _Citation.Year 2001 _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 Andrew Pickford . R. . 4830 1 2 Steven Smith . P. . 4830 1 3 David Staunton . . . 4830 1 4 Jonathan Boyd . . . 4830 1 5 Iain Campbell . D. . 4830 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_6f11f22f2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_6f11f22f2 _Assembly.Entry_ID 4830 _Assembly.ID 1 _Assembly.Name 'fibronectin fragment 6f11f22f2' _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 disulfide bound' _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 4830 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 6f11f22f2 1 $6f11f22f2 . . . native . . . . . 4830 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 4 4 SG . 1 . 1 CYS 31 31 SG . . . . . . . . . . 4830 1 2 disulfide single . 1 . 1 CYS 29 29 SG . 1 . 1 CYS 38 38 SG . . . . . . . . . . 4830 1 3 disulfide single . 1 . 1 CYS 56 56 SG . 1 . 1 CYS 82 82 SG . . . . . . . . . . 4830 1 4 disulfide single . 1 . 1 CYS 70 70 SG . 1 . 1 CYS 97 97 SG . . . . . . . . . . 4830 1 5 disulfide single . 1 . 1 CYS 116 116 SG . 1 . 1 CYS 142 142 SG . . . . . . . . . . 4830 1 6 disulfide single . 1 . 1 CYS 130 130 SG . 1 . 1 CYS 157 157 SG . . . . . . . . . . 4830 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'fibronectin fragment 6f11f22f2' system 4830 1 6f11f22f2 abbreviation 4830 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_6f11f22f2 _Entity.Sf_category entity _Entity.Sf_framecode 6f11f22f2 _Entity.Entry_ID 4830 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 6f11f22f2 _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 ; YGHCVTDSGVVYSVGMQWLK TQGNKQMLCTCLGNGVSCQE TAVTQTYGGNSNGEPCVLPF TYNGRTFYSCTTEGRQDGHL WCSTTSNYEQDQKYSFCTDH TVLVQTRGGNSNGALCHFPF LYNNHNYTDCTSEGRRDNMK WCGTTQNYDADQKFGFCPMA ; _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 160 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . GenBank AAD00015 . 'fibronectin [Homo sapiens]' . . . . . 100.00 379 98.75 99.38 5.53e-89 . . . . 4830 1 . . PDB 1E8B . 'Solution Structure Of 6f11f22f2, A Compact Three-Module Fragment Of The Gelatin-Binding Domain Of Human Fibronectin' . . . . . 100.00 160 100.00 100.00 5.35e-90 . . . . 4830 1 . . PDB 1E88 . 'Solution Structure Of 6f11f22f2, A Compact Three-Module Fragment Of The Gelatin-Binding Domain Of Human Fibronectin' . . . . . 100.00 160 100.00 100.00 5.35e-90 . . . . 4830 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 6f11f22f2 common 4830 1 6f11f22f2 abbreviation 4830 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 . TYR . 4830 1 2 . GLY . 4830 1 3 . HIS . 4830 1 4 . CYS . 4830 1 5 . VAL . 4830 1 6 . THR . 4830 1 7 . ASP . 4830 1 8 . SER . 4830 1 9 . GLY . 4830 1 10 . VAL . 4830 1 11 . VAL . 4830 1 12 . TYR . 4830 1 13 . SER . 4830 1 14 . VAL . 4830 1 15 . GLY . 4830 1 16 . MET . 4830 1 17 . GLN . 4830 1 18 . TRP . 4830 1 19 . LEU . 4830 1 20 . LYS . 4830 1 21 . THR . 4830 1 22 . GLN . 4830 1 23 . GLY . 4830 1 24 . ASN . 4830 1 25 . LYS . 4830 1 26 . GLN . 4830 1 27 . MET . 4830 1 28 . LEU . 4830 1 29 . CYS . 4830 1 30 . THR . 4830 1 31 . CYS . 4830 1 32 . LEU . 4830 1 33 . GLY . 4830 1 34 . ASN . 4830 1 35 . GLY . 4830 1 36 . VAL . 4830 1 37 . SER . 4830 1 38 . CYS . 4830 1 39 . GLN . 4830 1 40 . GLU . 4830 1 41 . THR . 4830 1 42 . ALA . 4830 1 43 . VAL . 4830 1 44 . THR . 4830 1 45 . GLN . 4830 1 46 . THR . 4830 1 47 . TYR . 4830 1 48 . GLY . 4830 1 49 . GLY . 4830 1 50 . ASN . 4830 1 51 . SER . 4830 1 52 . ASN . 4830 1 53 . GLY . 4830 1 54 . GLU . 4830 1 55 . PRO . 4830 1 56 . CYS . 4830 1 57 . VAL . 4830 1 58 . LEU . 4830 1 59 . PRO . 4830 1 60 . PHE . 4830 1 61 . THR . 4830 1 62 . TYR . 4830 1 63 . ASN . 4830 1 64 . GLY . 4830 1 65 . ARG . 4830 1 66 . THR . 4830 1 67 . PHE . 4830 1 68 . TYR . 4830 1 69 . SER . 4830 1 70 . CYS . 4830 1 71 . THR . 4830 1 72 . THR . 4830 1 73 . GLU . 4830 1 74 . GLY . 4830 1 75 . ARG . 4830 1 76 . GLN . 4830 1 77 . ASP . 4830 1 78 . GLY . 4830 1 79 . HIS . 4830 1 80 . LEU . 4830 1 81 . TRP . 4830 1 82 . CYS . 4830 1 83 . SER . 4830 1 84 . THR . 4830 1 85 . THR . 4830 1 86 . SER . 4830 1 87 . ASN . 4830 1 88 . TYR . 4830 1 89 . GLU . 4830 1 90 . GLN . 4830 1 91 . ASP . 4830 1 92 . GLN . 4830 1 93 . LYS . 4830 1 94 . TYR . 4830 1 95 . SER . 4830 1 96 . PHE . 4830 1 97 . CYS . 4830 1 98 . THR . 4830 1 99 . ASP . 4830 1 100 . HIS . 4830 1 101 . THR . 4830 1 102 . VAL . 4830 1 103 . LEU . 4830 1 104 . VAL . 4830 1 105 . GLN . 4830 1 106 . THR . 4830 1 107 . ARG . 4830 1 108 . GLY . 4830 1 109 . GLY . 4830 1 110 . ASN . 4830 1 111 . SER . 4830 1 112 . ASN . 4830 1 113 . GLY . 4830 1 114 . ALA . 4830 1 115 . LEU . 4830 1 116 . CYS . 4830 1 117 . HIS . 4830 1 118 . PHE . 4830 1 119 . PRO . 4830 1 120 . PHE . 4830 1 121 . LEU . 4830 1 122 . TYR . 4830 1 123 . ASN . 4830 1 124 . ASN . 4830 1 125 . HIS . 4830 1 126 . ASN . 4830 1 127 . TYR . 4830 1 128 . THR . 4830 1 129 . ASP . 4830 1 130 . CYS . 4830 1 131 . THR . 4830 1 132 . SER . 4830 1 133 . GLU . 4830 1 134 . GLY . 4830 1 135 . ARG . 4830 1 136 . ARG . 4830 1 137 . ASP . 4830 1 138 . ASN . 4830 1 139 . MET . 4830 1 140 . LYS . 4830 1 141 . TRP . 4830 1 142 . CYS . 4830 1 143 . GLY . 4830 1 144 . THR . 4830 1 145 . THR . 4830 1 146 . GLN . 4830 1 147 . ASN . 4830 1 148 . TYR . 4830 1 149 . ASP . 4830 1 150 . ALA . 4830 1 151 . ASP . 4830 1 152 . GLN . 4830 1 153 . LYS . 4830 1 154 . PHE . 4830 1 155 . GLY . 4830 1 156 . PHE . 4830 1 157 . CYS . 4830 1 158 . PRO . 4830 1 159 . MET . 4830 1 160 . ALA . 4830 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 . TYR 1 1 4830 1 . GLY 2 2 4830 1 . HIS 3 3 4830 1 . CYS 4 4 4830 1 . VAL 5 5 4830 1 . THR 6 6 4830 1 . ASP 7 7 4830 1 . SER 8 8 4830 1 . GLY 9 9 4830 1 . VAL 10 10 4830 1 . VAL 11 11 4830 1 . TYR 12 12 4830 1 . SER 13 13 4830 1 . VAL 14 14 4830 1 . GLY 15 15 4830 1 . MET 16 16 4830 1 . GLN 17 17 4830 1 . TRP 18 18 4830 1 . LEU 19 19 4830 1 . LYS 20 20 4830 1 . THR 21 21 4830 1 . GLN 22 22 4830 1 . GLY 23 23 4830 1 . ASN 24 24 4830 1 . LYS 25 25 4830 1 . GLN 26 26 4830 1 . MET 27 27 4830 1 . LEU 28 28 4830 1 . CYS 29 29 4830 1 . THR 30 30 4830 1 . CYS 31 31 4830 1 . LEU 32 32 4830 1 . GLY 33 33 4830 1 . ASN 34 34 4830 1 . GLY 35 35 4830 1 . VAL 36 36 4830 1 . SER 37 37 4830 1 . CYS 38 38 4830 1 . GLN 39 39 4830 1 . GLU 40 40 4830 1 . THR 41 41 4830 1 . ALA 42 42 4830 1 . VAL 43 43 4830 1 . THR 44 44 4830 1 . GLN 45 45 4830 1 . THR 46 46 4830 1 . TYR 47 47 4830 1 . GLY 48 48 4830 1 . GLY 49 49 4830 1 . ASN 50 50 4830 1 . SER 51 51 4830 1 . ASN 52 52 4830 1 . GLY 53 53 4830 1 . GLU 54 54 4830 1 . PRO 55 55 4830 1 . CYS 56 56 4830 1 . VAL 57 57 4830 1 . LEU 58 58 4830 1 . PRO 59 59 4830 1 . PHE 60 60 4830 1 . THR 61 61 4830 1 . TYR 62 62 4830 1 . ASN 63 63 4830 1 . GLY 64 64 4830 1 . ARG 65 65 4830 1 . THR 66 66 4830 1 . PHE 67 67 4830 1 . TYR 68 68 4830 1 . SER 69 69 4830 1 . CYS 70 70 4830 1 . THR 71 71 4830 1 . THR 72 72 4830 1 . GLU 73 73 4830 1 . GLY 74 74 4830 1 . ARG 75 75 4830 1 . GLN 76 76 4830 1 . ASP 77 77 4830 1 . GLY 78 78 4830 1 . HIS 79 79 4830 1 . LEU 80 80 4830 1 . TRP 81 81 4830 1 . CYS 82 82 4830 1 . SER 83 83 4830 1 . THR 84 84 4830 1 . THR 85 85 4830 1 . SER 86 86 4830 1 . ASN 87 87 4830 1 . TYR 88 88 4830 1 . GLU 89 89 4830 1 . GLN 90 90 4830 1 . ASP 91 91 4830 1 . GLN 92 92 4830 1 . LYS 93 93 4830 1 . TYR 94 94 4830 1 . SER 95 95 4830 1 . PHE 96 96 4830 1 . CYS 97 97 4830 1 . THR 98 98 4830 1 . ASP 99 99 4830 1 . HIS 100 100 4830 1 . THR 101 101 4830 1 . VAL 102 102 4830 1 . LEU 103 103 4830 1 . VAL 104 104 4830 1 . GLN 105 105 4830 1 . THR 106 106 4830 1 . ARG 107 107 4830 1 . GLY 108 108 4830 1 . GLY 109 109 4830 1 . ASN 110 110 4830 1 . SER 111 111 4830 1 . ASN 112 112 4830 1 . GLY 113 113 4830 1 . ALA 114 114 4830 1 . LEU 115 115 4830 1 . CYS 116 116 4830 1 . HIS 117 117 4830 1 . PHE 118 118 4830 1 . PRO 119 119 4830 1 . PHE 120 120 4830 1 . LEU 121 121 4830 1 . TYR 122 122 4830 1 . ASN 123 123 4830 1 . ASN 124 124 4830 1 . HIS 125 125 4830 1 . ASN 126 126 4830 1 . TYR 127 127 4830 1 . THR 128 128 4830 1 . ASP 129 129 4830 1 . CYS 130 130 4830 1 . THR 131 131 4830 1 . SER 132 132 4830 1 . GLU 133 133 4830 1 . GLY 134 134 4830 1 . ARG 135 135 4830 1 . ARG 136 136 4830 1 . ASP 137 137 4830 1 . ASN 138 138 4830 1 . MET 139 139 4830 1 . LYS 140 140 4830 1 . TRP 141 141 4830 1 . CYS 142 142 4830 1 . GLY 143 143 4830 1 . THR 144 144 4830 1 . THR 145 145 4830 1 . GLN 146 146 4830 1 . ASN 147 147 4830 1 . TYR 148 148 4830 1 . ASP 149 149 4830 1 . ALA 150 150 4830 1 . ASP 151 151 4830 1 . GLN 152 152 4830 1 . LYS 153 153 4830 1 . PHE 154 154 4830 1 . GLY 155 155 4830 1 . PHE 156 156 4830 1 . CYS 157 157 4830 1 . PRO 158 158 4830 1 . MET 159 159 4830 1 . ALA 160 160 4830 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4830 _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 $6f11f22f2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4830 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 4830 _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 $6f11f22f2 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . 'Secreted from the methylotrophic yeast Pichia pastoris.' . . 4830 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4830 _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 6f11f22f2 '[U-98% 15N]' . . 1 $6f11f22f2 . . 2.0 . . mM . . . . 4830 1 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 4830 _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 4.5 0.2 n/a 4830 1 temperature 298 0.2 K 4830 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 4830 _Software.ID 1 _Software.Name Felix _Software.Version 2.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data processing' 4830 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 4830 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Assignment 4830 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 4830 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'home-built spectrometer incorporating Oxford Instruments magnet' _NMR_spectrometer.Manufacturer . _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4830 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 . . . 750 . . . 4830 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 4830 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D DQF-COSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4830 1 2 '2D TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4830 1 3 '2D NOESY (60ms mixing time)' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4830 1 4 '3D [1H-15N]' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4830 1 5 TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4830 1 6 '3D [1H-15N] NOESY (60ms mixing time)' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4830 1 stop_ 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 4830 _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 dioxane 'methylene protons' . . . . ppm 3.743 internal direct . internal . . 1 $entry_citation . . 1 $entry_citation 4830 1 N 15 dioxane 'methylene protons' . . . . ppm 3.743 internal indirect 0.101329118 internal . . 1 $entry_citation . . 1 $entry_citation 4830 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 4830 _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 . 4830 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 TYR HA H 1 4.31 0.02 . 1 . . . . . . . . 4830 1 2 . 1 1 1 1 TYR HB2 H 1 3.15 0.02 . 2 . . . . . . . . 4830 1 3 . 1 1 1 1 TYR HB3 H 1 3.19 0.02 . 2 . . . . . . . . 4830 1 4 . 1 1 1 1 TYR HD1 H 1 7.17 0.02 . 1 . . . . . . . . 4830 1 5 . 1 1 1 1 TYR HD2 H 1 7.17 0.02 . 1 . . . . . . . . 4830 1 6 . 1 1 1 1 TYR HE1 H 1 6.84 0.02 . 1 . . . . . . . . 4830 1 7 . 1 1 1 1 TYR HE2 H 1 6.84 0.02 . 1 . . . . . . . . 4830 1 8 . 1 1 2 2 GLY H H 1 8.70 0.02 . 1 . . . . . . . . 4830 1 9 . 1 1 2 2 GLY HA2 H 1 4.04 0.02 . 2 . . . . . . . . 4830 1 10 . 1 1 2 2 GLY HA3 H 1 3.88 0.02 . 2 . . . . . . . . 4830 1 11 . 1 1 2 2 GLY N N 15 110.72 0.05 . 1 . . . . . . . . 4830 1 12 . 1 1 3 3 HIS H H 1 8.36 0.02 . 1 . . . . . . . . 4830 1 13 . 1 1 3 3 HIS HA H 1 5.24 0.02 . 1 . . . . . . . . 4830 1 14 . 1 1 3 3 HIS HB2 H 1 3.26 0.02 . 2 . . . . . . . . 4830 1 15 . 1 1 3 3 HIS HB3 H 1 3.09 0.02 . 2 . . . . . . . . 4830 1 16 . 1 1 3 3 HIS HD2 H 1 6.95 0.02 . 1 . . . . . . . . 4830 1 17 . 1 1 3 3 HIS HE1 H 1 8.58 0.02 . 1 . . . . . . . . 4830 1 18 . 1 1 3 3 HIS N N 15 115.98 0.05 . 1 . . . . . . . . 4830 1 19 . 1 1 4 4 CYS H H 1 9.33 0.02 . 1 . . . . . . . . 4830 1 20 . 1 1 4 4 CYS HA H 1 4.94 0.02 . 1 . . . . . . . . 4830 1 21 . 1 1 4 4 CYS HB2 H 1 3.23 0.02 . 2 . . . . . . . . 4830 1 22 . 1 1 4 4 CYS HB3 H 1 2.73 0.02 . 2 . . . . . . . . 4830 1 23 . 1 1 4 4 CYS N N 15 117.66 0.05 . 1 . . . . . . . . 4830 1 24 . 1 1 5 5 VAL H H 1 8.63 0.02 . 1 . . . . . . . . 4830 1 25 . 1 1 5 5 VAL HA H 1 4.81 0.02 . 1 . . . . . . . . 4830 1 26 . 1 1 5 5 VAL HB H 1 1.89 0.02 . 1 . . . . . . . . 4830 1 27 . 1 1 5 5 VAL HG11 H 1 0.86 0.02 . 1 . . . . . . . . 4830 1 28 . 1 1 5 5 VAL HG12 H 1 0.86 0.02 . 1 . . . . . . . . 4830 1 29 . 1 1 5 5 VAL HG13 H 1 0.86 0.02 . 1 . . . . . . . . 4830 1 30 . 1 1 5 5 VAL HG21 H 1 0.86 0.02 . 1 . . . . . . . . 4830 1 31 . 1 1 5 5 VAL HG22 H 1 0.86 0.02 . 1 . . . . . . . . 4830 1 32 . 1 1 5 5 VAL HG23 H 1 0.86 0.02 . 1 . . . . . . . . 4830 1 33 . 1 1 5 5 VAL N N 15 122.52 0.05 . 1 . . . . . . . . 4830 1 34 . 1 1 6 6 THR H H 1 8.82 0.02 . 1 . . . . . . . . 4830 1 35 . 1 1 6 6 THR HA H 1 4.66 0.02 . 1 . . . . . . . . 4830 1 36 . 1 1 6 6 THR HB H 1 4.51 0.02 . 1 . . . . . . . . 4830 1 37 . 1 1 6 6 THR HG21 H 1 1.22 0.02 . 1 . . . . . . . . 4830 1 38 . 1 1 6 6 THR HG22 H 1 1.22 0.02 . 1 . . . . . . . . 4830 1 39 . 1 1 6 6 THR HG23 H 1 1.22 0.02 . 1 . . . . . . . . 4830 1 40 . 1 1 6 6 THR N N 15 117.37 0.05 . 1 . . . . . . . . 4830 1 41 . 1 1 7 7 ASP H H 1 9.06 0.02 . 1 . . . . . . . . 4830 1 42 . 1 1 7 7 ASP HA H 1 4.41 0.02 . 1 . . . . . . . . 4830 1 43 . 1 1 7 7 ASP HB2 H 1 2.83 0.02 . 1 . . . . . . . . 4830 1 44 . 1 1 7 7 ASP HB3 H 1 2.83 0.02 . 1 . . . . . . . . 4830 1 45 . 1 1 7 7 ASP N N 15 120.40 0.05 . 1 . . . . . . . . 4830 1 46 . 1 1 8 8 SER H H 1 7.89 0.02 . 1 . . . . . . . . 4830 1 47 . 1 1 8 8 SER HA H 1 4.56 0.02 . 1 . . . . . . . . 4830 1 48 . 1 1 8 8 SER HB2 H 1 4.01 0.02 . 2 . . . . . . . . 4830 1 49 . 1 1 8 8 SER HB3 H 1 3.88 0.02 . 2 . . . . . . . . 4830 1 50 . 1 1 8 8 SER N N 15 112.70 0.05 . 1 . . . . . . . . 4830 1 51 . 1 1 9 9 GLY H H 1 8.08 0.02 . 1 . . . . . . . . 4830 1 52 . 1 1 9 9 GLY HA2 H 1 4.11 0.02 . 2 . . . . . . . . 4830 1 53 . 1 1 9 9 GLY HA3 H 1 3.41 0.02 . 2 . . . . . . . . 4830 1 54 . 1 1 9 9 GLY N N 15 110.08 0.05 . 1 . . . . . . . . 4830 1 55 . 1 1 10 10 VAL H H 1 7.19 0.02 . 1 . . . . . . . . 4830 1 56 . 1 1 10 10 VAL HA H 1 3.57 0.02 . 1 . . . . . . . . 4830 1 57 . 1 1 10 10 VAL HB H 1 1.56 0.02 . 1 . . . . . . . . 4830 1 58 . 1 1 10 10 VAL HG11 H 1 0.64 0.02 . 2 . . . . . . . . 4830 1 59 . 1 1 10 10 VAL HG12 H 1 0.64 0.02 . 2 . . . . . . . . 4830 1 60 . 1 1 10 10 VAL HG13 H 1 0.64 0.02 . 2 . . . . . . . . 4830 1 61 . 1 1 10 10 VAL HG21 H 1 0.19 0.02 . 2 . . . . . . . . 4830 1 62 . 1 1 10 10 VAL HG22 H 1 0.19 0.02 . 2 . . . . . . . . 4830 1 63 . 1 1 10 10 VAL HG23 H 1 0.19 0.02 . 2 . . . . . . . . 4830 1 64 . 1 1 10 10 VAL N N 15 121.84 0.05 . 1 . . . . . . . . 4830 1 65 . 1 1 11 11 VAL H H 1 7.63 0.02 . 1 . . . . . . . . 4830 1 66 . 1 1 11 11 VAL HA H 1 4.51 0.02 . 1 . . . . . . . . 4830 1 67 . 1 1 11 11 VAL HB H 1 1.59 0.02 . 1 . . . . . . . . 4830 1 68 . 1 1 11 11 VAL HG11 H 1 0.75 0.02 . 2 . . . . . . . . 4830 1 69 . 1 1 11 11 VAL HG12 H 1 0.75 0.02 . 2 . . . . . . . . 4830 1 70 . 1 1 11 11 VAL HG13 H 1 0.75 0.02 . 2 . . . . . . . . 4830 1 71 . 1 1 11 11 VAL HG21 H 1 0.59 0.02 . 2 . . . . . . . . 4830 1 72 . 1 1 11 11 VAL HG22 H 1 0.59 0.02 . 2 . . . . . . . . 4830 1 73 . 1 1 11 11 VAL HG23 H 1 0.59 0.02 . 2 . . . . . . . . 4830 1 74 . 1 1 11 11 VAL N N 15 125.65 0.05 . 1 . . . . . . . . 4830 1 75 . 1 1 12 12 TYR H H 1 8.55 0.02 . 1 . . . . . . . . 4830 1 76 . 1 1 12 12 TYR HA H 1 4.73 0.02 . 1 . . . . . . . . 4830 1 77 . 1 1 12 12 TYR HB2 H 1 3.03 0.02 . 2 . . . . . . . . 4830 1 78 . 1 1 12 12 TYR HB3 H 1 1.91 0.02 . 2 . . . . . . . . 4830 1 79 . 1 1 12 12 TYR HD1 H 1 6.17 0.02 . 1 . . . . . . . . 4830 1 80 . 1 1 12 12 TYR HD2 H 1 6.17 0.02 . 1 . . . . . . . . 4830 1 81 . 1 1 12 12 TYR HE1 H 1 5.82 0.02 . 1 . . . . . . . . 4830 1 82 . 1 1 12 12 TYR HE2 H 1 5.82 0.02 . 1 . . . . . . . . 4830 1 83 . 1 1 12 12 TYR N N 15 124.11 0.05 . 1 . . . . . . . . 4830 1 84 . 1 1 13 13 SER H H 1 8.34 0.02 . 1 . . . . . . . . 4830 1 85 . 1 1 13 13 SER HA H 1 4.88 0.02 . 1 . . . . . . . . 4830 1 86 . 1 1 13 13 SER HB2 H 1 4.06 0.02 . 2 . . . . . . . . 4830 1 87 . 1 1 13 13 SER HB3 H 1 3.55 0.02 . 2 . . . . . . . . 4830 1 88 . 1 1 13 13 SER N N 15 117.79 0.05 . 1 . . . . . . . . 4830 1 89 . 1 1 14 14 VAL H H 1 7.89 0.02 . 1 . . . . . . . . 4830 1 90 . 1 1 14 14 VAL HA H 1 3.56 0.02 . 1 . . . . . . . . 4830 1 91 . 1 1 14 14 VAL HB H 1 1.78 0.02 . 1 . . . . . . . . 4830 1 92 . 1 1 14 14 VAL HG11 H 1 0.87 0.02 . 2 . . . . . . . . 4830 1 93 . 1 1 14 14 VAL HG12 H 1 0.87 0.02 . 2 . . . . . . . . 4830 1 94 . 1 1 14 14 VAL HG13 H 1 0.87 0.02 . 2 . . . . . . . . 4830 1 95 . 1 1 14 14 VAL HG21 H 1 0.80 0.02 . 2 . . . . . . . . 4830 1 96 . 1 1 14 14 VAL HG22 H 1 0.80 0.02 . 2 . . . . . . . . 4830 1 97 . 1 1 14 14 VAL HG23 H 1 0.80 0.02 . 2 . . . . . . . . 4830 1 98 . 1 1 14 14 VAL N N 15 122.55 0.05 . 1 . . . . . . . . 4830 1 99 . 1 1 15 15 GLY H H 1 9.19 0.02 . 1 . . . . . . . . 4830 1 100 . 1 1 15 15 GLY HA2 H 1 4.53 0.02 . 2 . . . . . . . . 4830 1 101 . 1 1 15 15 GLY HA3 H 1 3.65 0.02 . 2 . . . . . . . . 4830 1 102 . 1 1 15 15 GLY N N 15 115.06 0.05 . 1 . . . . . . . . 4830 1 103 . 1 1 16 16 MET H H 1 8.08 0.02 . 1 . . . . . . . . 4830 1 104 . 1 1 16 16 MET HA H 1 4.73 0.02 . 1 . . . . . . . . 4830 1 105 . 1 1 16 16 MET HB2 H 1 2.54 0.02 . 2 . . . . . . . . 4830 1 106 . 1 1 16 16 MET HB3 H 1 2.27 0.02 . 2 . . . . . . . . 4830 1 107 . 1 1 16 16 MET HG2 H 1 2.78 0.02 . 2 . . . . . . . . 4830 1 108 . 1 1 16 16 MET HG3 H 1 2.46 0.02 . 2 . . . . . . . . 4830 1 109 . 1 1 16 16 MET HE1 H 1 2.27 0.02 . 1 . . . . . . . . 4830 1 110 . 1 1 16 16 MET HE2 H 1 2.27 0.02 . 1 . . . . . . . . 4830 1 111 . 1 1 16 16 MET HE3 H 1 2.27 0.02 . 1 . . . . . . . . 4830 1 112 . 1 1 16 16 MET N N 15 118.24 0.05 . 1 . . . . . . . . 4830 1 113 . 1 1 17 17 GLN H H 1 9.47 0.02 . 1 . . . . . . . . 4830 1 114 . 1 1 17 17 GLN HA H 1 5.58 0.02 . 1 . . . . . . . . 4830 1 115 . 1 1 17 17 GLN HB2 H 1 1.83 0.02 . 2 . . . . . . . . 4830 1 116 . 1 1 17 17 GLN HB3 H 1 1.76 0.02 . 2 . . . . . . . . 4830 1 117 . 1 1 17 17 GLN HG2 H 1 2.46 0.02 . 2 . . . . . . . . 4830 1 118 . 1 1 17 17 GLN HG3 H 1 2.37 0.02 . 2 . . . . . . . . 4830 1 119 . 1 1 17 17 GLN N N 15 117.61 0.05 . 1 . . . . . . . . 4830 1 120 . 1 1 18 18 TRP H H 1 8.62 0.02 . 1 . . . . . . . . 4830 1 121 . 1 1 18 18 TRP HA H 1 4.83 0.02 . 1 . . . . . . . . 4830 1 122 . 1 1 18 18 TRP HB2 H 1 3.08 0.02 . 2 . . . . . . . . 4830 1 123 . 1 1 18 18 TRP HB3 H 1 2.93 0.02 . 2 . . . . . . . . 4830 1 124 . 1 1 18 18 TRP HD1 H 1 6.77 0.02 . 1 . . . . . . . . 4830 1 125 . 1 1 18 18 TRP HE1 H 1 9.91 0.02 . 1 . . . . . . . . 4830 1 126 . 1 1 18 18 TRP HE3 H 1 6.19 0.02 . 1 . . . . . . . . 4830 1 127 . 1 1 18 18 TRP HZ2 H 1 7.03 0.02 . 1 . . . . . . . . 4830 1 128 . 1 1 18 18 TRP HZ3 H 1 6.21 0.02 . 1 . . . . . . . . 4830 1 129 . 1 1 18 18 TRP HH2 H 1 6.46 0.02 . 1 . . . . . . . . 4830 1 130 . 1 1 18 18 TRP N N 15 118.95 0.05 . 1 . . . . . . . . 4830 1 131 . 1 1 18 18 TRP NE1 N 15 127.07 0.05 . 1 . . . . . . . . 4830 1 132 . 1 1 19 19 LEU H H 1 8.45 0.02 . 1 . . . . . . . . 4830 1 133 . 1 1 19 19 LEU HA H 1 5.27 0.02 . 1 . . . . . . . . 4830 1 134 . 1 1 19 19 LEU HB2 H 1 1.62 0.02 . 2 . . . . . . . . 4830 1 135 . 1 1 19 19 LEU HB3 H 1 1.55 0.02 . 2 . . . . . . . . 4830 1 136 . 1 1 19 19 LEU HG H 1 1.34 0.02 . 1 . . . . . . . . 4830 1 137 . 1 1 19 19 LEU HD11 H 1 0.76 0.02 . 2 . . . . . . . . 4830 1 138 . 1 1 19 19 LEU HD12 H 1 0.76 0.02 . 2 . . . . . . . . 4830 1 139 . 1 1 19 19 LEU HD13 H 1 0.76 0.02 . 2 . . . . . . . . 4830 1 140 . 1 1 19 19 LEU HD21 H 1 0.73 0.02 . 2 . . . . . . . . 4830 1 141 . 1 1 19 19 LEU HD22 H 1 0.73 0.02 . 2 . . . . . . . . 4830 1 142 . 1 1 19 19 LEU HD23 H 1 0.73 0.02 . 2 . . . . . . . . 4830 1 143 . 1 1 19 19 LEU N N 15 119.15 0.05 . 1 . . . . . . . . 4830 1 144 . 1 1 20 20 LYS H H 1 8.92 0.02 . 1 . . . . . . . . 4830 1 145 . 1 1 20 20 LYS HA H 1 4.76 0.02 . 1 . . . . . . . . 4830 1 146 . 1 1 20 20 LYS HB2 H 1 1.76 0.02 . 1 . . . . . . . . 4830 1 147 . 1 1 20 20 LYS HB3 H 1 1.76 0.02 . 1 . . . . . . . . 4830 1 148 . 1 1 20 20 LYS HG2 H 1 1.33 0.02 . 1 . . . . . . . . 4830 1 149 . 1 1 20 20 LYS HG3 H 1 1.33 0.02 . 1 . . . . . . . . 4830 1 150 . 1 1 20 20 LYS HD2 H 1 1.84 0.02 . 1 . . . . . . . . 4830 1 151 . 1 1 20 20 LYS HD3 H 1 1.84 0.02 . 1 . . . . . . . . 4830 1 152 . 1 1 20 20 LYS HE2 H 1 2.85 0.02 . 1 . . . . . . . . 4830 1 153 . 1 1 20 20 LYS HE3 H 1 2.85 0.02 . 1 . . . . . . . . 4830 1 154 . 1 1 20 20 LYS N N 15 122.49 0.05 . 1 . . . . . . . . 4830 1 155 . 1 1 21 21 THR H H 1 8.84 0.02 . 1 . . . . . . . . 4830 1 156 . 1 1 21 21 THR HA H 1 4.89 0.02 . 1 . . . . . . . . 4830 1 157 . 1 1 21 21 THR HB H 1 4.04 0.02 . 1 . . . . . . . . 4830 1 158 . 1 1 21 21 THR HG21 H 1 1.13 0.02 . 1 . . . . . . . . 4830 1 159 . 1 1 21 21 THR HG22 H 1 1.13 0.02 . 1 . . . . . . . . 4830 1 160 . 1 1 21 21 THR HG23 H 1 1.13 0.02 . 1 . . . . . . . . 4830 1 161 . 1 1 21 21 THR N N 15 120.71 0.05 . 1 . . . . . . . . 4830 1 162 . 1 1 22 22 GLN H H 1 8.78 0.02 . 1 . . . . . . . . 4830 1 163 . 1 1 22 22 GLN HA H 1 4.58 0.02 . 1 . . . . . . . . 4830 1 164 . 1 1 22 22 GLN HB2 H 1 2.00 0.02 . 2 . . . . . . . . 4830 1 165 . 1 1 22 22 GLN HB3 H 1 1.79 0.02 . 2 . . . . . . . . 4830 1 166 . 1 1 22 22 GLN HG2 H 1 2.22 0.02 . 1 . . . . . . . . 4830 1 167 . 1 1 22 22 GLN HG3 H 1 2.22 0.02 . 1 . . . . . . . . 4830 1 168 . 1 1 22 22 GLN N N 15 127.35 0.05 . 1 . . . . . . . . 4830 1 169 . 1 1 23 23 GLY H H 1 9.22 0.02 . 1 . . . . . . . . 4830 1 170 . 1 1 23 23 GLY HA2 H 1 3.97 0.02 . 2 . . . . . . . . 4830 1 171 . 1 1 23 23 GLY HA3 H 1 3.70 0.02 . 2 . . . . . . . . 4830 1 172 . 1 1 23 23 GLY N N 15 118.14 0.05 . 1 . . . . . . . . 4830 1 173 . 1 1 24 24 ASN H H 1 8.79 0.02 . 1 . . . . . . . . 4830 1 174 . 1 1 24 24 ASN HA H 1 4.65 0.02 . 1 . . . . . . . . 4830 1 175 . 1 1 24 24 ASN HB2 H 1 2.92 0.02 . 1 . . . . . . . . 4830 1 176 . 1 1 24 24 ASN HB3 H 1 2.92 0.02 . 1 . . . . . . . . 4830 1 177 . 1 1 24 24 ASN N N 15 121.89 0.05 . 1 . . . . . . . . 4830 1 178 . 1 1 25 25 LYS H H 1 7.94 0.02 . 1 . . . . . . . . 4830 1 179 . 1 1 25 25 LYS HA H 1 4.61 0.02 . 1 . . . . . . . . 4830 1 180 . 1 1 25 25 LYS HB2 H 1 1.93 0.02 . 1 . . . . . . . . 4830 1 181 . 1 1 25 25 LYS HB3 H 1 1.93 0.02 . 1 . . . . . . . . 4830 1 182 . 1 1 25 25 LYS HG2 H 1 1.48 0.02 . 2 . . . . . . . . 4830 1 183 . 1 1 25 25 LYS HG3 H 1 1.43 0.02 . 2 . . . . . . . . 4830 1 184 . 1 1 25 25 LYS HD2 H 1 1.74 0.02 . 1 . . . . . . . . 4830 1 185 . 1 1 25 25 LYS HD3 H 1 1.74 0.02 . 1 . . . . . . . . 4830 1 186 . 1 1 25 25 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 4830 1 187 . 1 1 25 25 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 4830 1 188 . 1 1 25 25 LYS N N 15 119.28 0.05 . 1 . . . . . . . . 4830 1 189 . 1 1 26 26 GLN H H 1 8.72 0.02 . 1 . . . . . . . . 4830 1 190 . 1 1 26 26 GLN HA H 1 4.74 0.02 . 1 . . . . . . . . 4830 1 191 . 1 1 26 26 GLN HB2 H 1 1.95 0.02 . 1 . . . . . . . . 4830 1 192 . 1 1 26 26 GLN HB3 H 1 1.95 0.02 . 1 . . . . . . . . 4830 1 193 . 1 1 26 26 GLN HG2 H 1 1.74 0.02 . 1 . . . . . . . . 4830 1 194 . 1 1 26 26 GLN HG3 H 1 1.74 0.02 . 1 . . . . . . . . 4830 1 195 . 1 1 26 26 GLN N N 15 121.86 0.05 . 1 . . . . . . . . 4830 1 196 . 1 1 27 27 MET H H 1 9.10 0.02 . 1 . . . . . . . . 4830 1 197 . 1 1 27 27 MET HA H 1 4.96 0.02 . 1 . . . . . . . . 4830 1 198 . 1 1 27 27 MET HB2 H 1 1.59 0.02 . 2 . . . . . . . . 4830 1 199 . 1 1 27 27 MET HB3 H 1 1.56 0.02 . 2 . . . . . . . . 4830 1 200 . 1 1 27 27 MET HG2 H 1 2.41 0.02 . 2 . . . . . . . . 4830 1 201 . 1 1 27 27 MET HG3 H 1 2.29 0.02 . 2 . . . . . . . . 4830 1 202 . 1 1 27 27 MET HE1 H 1 1.83 0.02 . 1 . . . . . . . . 4830 1 203 . 1 1 27 27 MET HE2 H 1 1.83 0.02 . 1 . . . . . . . . 4830 1 204 . 1 1 27 27 MET HE3 H 1 1.83 0.02 . 1 . . . . . . . . 4830 1 205 . 1 1 27 27 MET N N 15 122.17 0.05 . 1 . . . . . . . . 4830 1 206 . 1 1 28 28 LEU H H 1 8.97 0.02 . 1 . . . . . . . . 4830 1 207 . 1 1 28 28 LEU HA H 1 4.63 0.02 . 1 . . . . . . . . 4830 1 208 . 1 1 28 28 LEU HB2 H 1 1.71 0.02 . 1 . . . . . . . . 4830 1 209 . 1 1 28 28 LEU HB3 H 1 1.71 0.02 . 1 . . . . . . . . 4830 1 210 . 1 1 28 28 LEU HG H 1 1.12 0.02 . 1 . . . . . . . . 4830 1 211 . 1 1 28 28 LEU HD11 H 1 0.67 0.02 . 2 . . . . . . . . 4830 1 212 . 1 1 28 28 LEU HD12 H 1 0.67 0.02 . 2 . . . . . . . . 4830 1 213 . 1 1 28 28 LEU HD13 H 1 0.67 0.02 . 2 . . . . . . . . 4830 1 214 . 1 1 28 28 LEU HD21 H 1 0.61 0.02 . 2 . . . . . . . . 4830 1 215 . 1 1 28 28 LEU HD22 H 1 0.61 0.02 . 2 . . . . . . . . 4830 1 216 . 1 1 28 28 LEU HD23 H 1 0.61 0.02 . 2 . . . . . . . . 4830 1 217 . 1 1 28 28 LEU N N 15 123.26 0.05 . 1 . . . . . . . . 4830 1 218 . 1 1 29 29 CYS H H 1 9.19 0.02 . 1 . . . . . . . . 4830 1 219 . 1 1 29 29 CYS HA H 1 5.12 0.02 . 1 . . . . . . . . 4830 1 220 . 1 1 29 29 CYS HB2 H 1 1.55 0.02 . 2 . . . . . . . . 4830 1 221 . 1 1 29 29 CYS HB3 H 1 0.60 0.02 . 2 . . . . . . . . 4830 1 222 . 1 1 29 29 CYS N N 15 128.81 0.05 . 1 . . . . . . . . 4830 1 223 . 1 1 30 30 THR H H 1 8.66 0.02 . 1 . . . . . . . . 4830 1 224 . 1 1 30 30 THR HA H 1 4.70 0.02 . 1 . . . . . . . . 4830 1 225 . 1 1 30 30 THR HB H 1 3.72 0.02 . 1 . . . . . . . . 4830 1 226 . 1 1 30 30 THR HG21 H 1 1.09 0.02 . 1 . . . . . . . . 4830 1 227 . 1 1 30 30 THR HG22 H 1 1.09 0.02 . 1 . . . . . . . . 4830 1 228 . 1 1 30 30 THR HG23 H 1 1.09 0.02 . 1 . . . . . . . . 4830 1 229 . 1 1 30 30 THR N N 15 114.76 0.05 . 1 . . . . . . . . 4830 1 230 . 1 1 31 31 CYS H H 1 8.50 0.02 . 1 . . . . . . . . 4830 1 231 . 1 1 31 31 CYS HA H 1 5.16 0.02 . 1 . . . . . . . . 4830 1 232 . 1 1 31 31 CYS HB2 H 1 3.36 0.02 . 2 . . . . . . . . 4830 1 233 . 1 1 31 31 CYS HB3 H 1 3.14 0.02 . 2 . . . . . . . . 4830 1 234 . 1 1 31 31 CYS N N 15 122.97 0.05 . 1 . . . . . . . . 4830 1 235 . 1 1 32 32 LEU H H 1 8.42 0.02 . 1 . . . . . . . . 4830 1 236 . 1 1 32 32 LEU HA H 1 4.89 0.02 . 1 . . . . . . . . 4830 1 237 . 1 1 32 32 LEU HB2 H 1 2.11 0.02 . 2 . . . . . . . . 4830 1 238 . 1 1 32 32 LEU HB3 H 1 1.70 0.02 . 2 . . . . . . . . 4830 1 239 . 1 1 32 32 LEU HG H 1 1.58 0.02 . 1 . . . . . . . . 4830 1 240 . 1 1 32 32 LEU HD11 H 1 0.93 0.02 . 1 . . . . . . . . 4830 1 241 . 1 1 32 32 LEU HD12 H 1 0.93 0.02 . 1 . . . . . . . . 4830 1 242 . 1 1 32 32 LEU HD13 H 1 0.93 0.02 . 1 . . . . . . . . 4830 1 243 . 1 1 32 32 LEU HD21 H 1 0.93 0.02 . 1 . . . . . . . . 4830 1 244 . 1 1 32 32 LEU HD22 H 1 0.93 0.02 . 1 . . . . . . . . 4830 1 245 . 1 1 32 32 LEU HD23 H 1 0.93 0.02 . 1 . . . . . . . . 4830 1 246 . 1 1 32 32 LEU N N 15 130.29 0.05 . 1 . . . . . . . . 4830 1 247 . 1 1 33 33 GLY H H 1 8.95 0.02 . 1 . . . . . . . . 4830 1 248 . 1 1 33 33 GLY HA2 H 1 3.93 0.02 . 2 . . . . . . . . 4830 1 249 . 1 1 33 33 GLY HA3 H 1 3.70 0.02 . 2 . . . . . . . . 4830 1 250 . 1 1 33 33 GLY N N 15 108.23 0.05 . 1 . . . . . . . . 4830 1 251 . 1 1 34 34 ASN H H 1 7.82 0.02 . 1 . . . . . . . . 4830 1 252 . 1 1 34 34 ASN HA H 1 4.90 0.02 . 1 . . . . . . . . 4830 1 253 . 1 1 34 34 ASN HB2 H 1 3.00 0.02 . 2 . . . . . . . . 4830 1 254 . 1 1 34 34 ASN HB3 H 1 2.74 0.02 . 2 . . . . . . . . 4830 1 255 . 1 1 34 34 ASN N N 15 112.83 0.05 . 1 . . . . . . . . 4830 1 256 . 1 1 35 35 GLY H H 1 7.61 0.02 . 1 . . . . . . . . 4830 1 257 . 1 1 35 35 GLY HA2 H 1 4.61 0.02 . 2 . . . . . . . . 4830 1 258 . 1 1 35 35 GLY HA3 H 1 3.88 0.02 . 2 . . . . . . . . 4830 1 259 . 1 1 35 35 GLY N N 15 107.82 0.05 . 1 . . . . . . . . 4830 1 260 . 1 1 36 36 VAL H H 1 8.56 0.02 . 1 . . . . . . . . 4830 1 261 . 1 1 36 36 VAL HA H 1 4.55 0.02 . 1 . . . . . . . . 4830 1 262 . 1 1 36 36 VAL HB H 1 2.09 0.02 . 1 . . . . . . . . 4830 1 263 . 1 1 36 36 VAL HG11 H 1 1.25 0.02 . 2 . . . . . . . . 4830 1 264 . 1 1 36 36 VAL HG12 H 1 1.25 0.02 . 2 . . . . . . . . 4830 1 265 . 1 1 36 36 VAL HG13 H 1 1.25 0.02 . 2 . . . . . . . . 4830 1 266 . 1 1 36 36 VAL HG21 H 1 1.06 0.02 . 2 . . . . . . . . 4830 1 267 . 1 1 36 36 VAL HG22 H 1 1.06 0.02 . 2 . . . . . . . . 4830 1 268 . 1 1 36 36 VAL HG23 H 1 1.06 0.02 . 2 . . . . . . . . 4830 1 269 . 1 1 36 36 VAL N N 15 120.02 0.05 . 1 . . . . . . . . 4830 1 270 . 1 1 37 37 SER H H 1 8.54 0.02 . 1 . . . . . . . . 4830 1 271 . 1 1 37 37 SER HA H 1 4.81 0.02 . 1 . . . . . . . . 4830 1 272 . 1 1 37 37 SER HB2 H 1 3.71 0.02 . 2 . . . . . . . . 4830 1 273 . 1 1 37 37 SER HB3 H 1 3.63 0.02 . 2 . . . . . . . . 4830 1 274 . 1 1 37 37 SER N N 15 121.39 0.05 . 1 . . . . . . . . 4830 1 275 . 1 1 38 38 CYS H H 1 8.96 0.02 . 1 . . . . . . . . 4830 1 276 . 1 1 38 38 CYS HA H 1 5.59 0.02 . 1 . . . . . . . . 4830 1 277 . 1 1 38 38 CYS HB2 H 1 3.12 0.02 . 2 . . . . . . . . 4830 1 278 . 1 1 38 38 CYS HB3 H 1 2.41 0.02 . 2 . . . . . . . . 4830 1 279 . 1 1 38 38 CYS N N 15 124.52 0.05 . 1 . . . . . . . . 4830 1 280 . 1 1 39 39 GLN H H 1 8.64 0.02 . 1 . . . . . . . . 4830 1 281 . 1 1 39 39 GLN HA H 1 4.69 0.02 . 1 . . . . . . . . 4830 1 282 . 1 1 39 39 GLN HB2 H 1 2.08 0.02 . 2 . . . . . . . . 4830 1 283 . 1 1 39 39 GLN HB3 H 1 1.98 0.02 . 2 . . . . . . . . 4830 1 284 . 1 1 39 39 GLN HG2 H 1 2.30 0.02 . 2 . . . . . . . . 4830 1 285 . 1 1 39 39 GLN HG3 H 1 2.24 0.02 . 2 . . . . . . . . 4830 1 286 . 1 1 39 39 GLN N N 15 119.67 0.05 . 1 . . . . . . . . 4830 1 287 . 1 1 40 40 GLU H H 1 9.00 0.02 . 1 . . . . . . . . 4830 1 288 . 1 1 40 40 GLU HA H 1 4.67 0.02 . 1 . . . . . . . . 4830 1 289 . 1 1 40 40 GLU HB2 H 1 2.09 0.02 . 2 . . . . . . . . 4830 1 290 . 1 1 40 40 GLU HB3 H 1 1.97 0.02 . 2 . . . . . . . . 4830 1 291 . 1 1 40 40 GLU HG2 H 1 2.42 0.02 . 1 . . . . . . . . 4830 1 292 . 1 1 40 40 GLU HG3 H 1 2.42 0.02 . 1 . . . . . . . . 4830 1 293 . 1 1 40 40 GLU N N 15 124.03 0.05 . 1 . . . . . . . . 4830 1 294 . 1 1 41 41 THR H H 1 8.36 0.02 . 1 . . . . . . . . 4830 1 295 . 1 1 41 41 THR HA H 1 4.34 0.02 . 1 . . . . . . . . 4830 1 296 . 1 1 41 41 THR HB H 1 4.11 0.02 . 1 . . . . . . . . 4830 1 297 . 1 1 41 41 THR HG21 H 1 1.05 0.02 . 1 . . . . . . . . 4830 1 298 . 1 1 41 41 THR HG22 H 1 1.05 0.02 . 1 . . . . . . . . 4830 1 299 . 1 1 41 41 THR HG23 H 1 1.05 0.02 . 1 . . . . . . . . 4830 1 300 . 1 1 41 41 THR N N 15 115.98 0.05 . 1 . . . . . . . . 4830 1 301 . 1 1 42 42 ALA H H 1 8.35 0.02 . 1 . . . . . . . . 4830 1 302 . 1 1 42 42 ALA HA H 1 4.46 0.02 . 1 . . . . . . . . 4830 1 303 . 1 1 42 42 ALA HB1 H 1 1.39 0.02 . 1 . . . . . . . . 4830 1 304 . 1 1 42 42 ALA HB2 H 1 1.39 0.02 . 1 . . . . . . . . 4830 1 305 . 1 1 42 42 ALA HB3 H 1 1.39 0.02 . 1 . . . . . . . . 4830 1 306 . 1 1 42 42 ALA N N 15 125.15 0.05 . 1 . . . . . . . . 4830 1 307 . 1 1 43 43 VAL H H 1 8.21 0.02 . 1 . . . . . . . . 4830 1 308 . 1 1 43 43 VAL HA H 1 4.12 0.02 . 1 . . . . . . . . 4830 1 309 . 1 1 43 43 VAL HB H 1 2.12 0.02 . 1 . . . . . . . . 4830 1 310 . 1 1 43 43 VAL HG11 H 1 0.96 0.02 . 1 . . . . . . . . 4830 1 311 . 1 1 43 43 VAL HG12 H 1 0.96 0.02 . 1 . . . . . . . . 4830 1 312 . 1 1 43 43 VAL HG13 H 1 0.96 0.02 . 1 . . . . . . . . 4830 1 313 . 1 1 43 43 VAL HG21 H 1 0.96 0.02 . 1 . . . . . . . . 4830 1 314 . 1 1 43 43 VAL HG22 H 1 0.96 0.02 . 1 . . . . . . . . 4830 1 315 . 1 1 43 43 VAL HG23 H 1 0.96 0.02 . 1 . . . . . . . . 4830 1 316 . 1 1 43 43 VAL N N 15 119.08 0.05 . 1 . . . . . . . . 4830 1 317 . 1 1 44 44 THR H H 1 8.22 0.02 . 1 . . . . . . . . 4830 1 318 . 1 1 44 44 THR HA H 1 4.30 0.02 . 1 . . . . . . . . 4830 1 319 . 1 1 44 44 THR HB H 1 4.13 0.02 . 1 . . . . . . . . 4830 1 320 . 1 1 44 44 THR HG21 H 1 1.29 0.02 . 1 . . . . . . . . 4830 1 321 . 1 1 44 44 THR HG22 H 1 1.29 0.02 . 1 . . . . . . . . 4830 1 322 . 1 1 44 44 THR HG23 H 1 1.29 0.02 . 1 . . . . . . . . 4830 1 323 . 1 1 44 44 THR N N 15 118.67 0.05 . 1 . . . . . . . . 4830 1 324 . 1 1 45 45 GLN H H 1 8.57 0.02 . 1 . . . . . . . . 4830 1 325 . 1 1 45 45 GLN HA H 1 4.60 0.02 . 1 . . . . . . . . 4830 1 326 . 1 1 45 45 GLN HB2 H 1 2.25 0.02 . 2 . . . . . . . . 4830 1 327 . 1 1 45 45 GLN HB3 H 1 2.12 0.02 . 2 . . . . . . . . 4830 1 328 . 1 1 45 45 GLN HG2 H 1 2.45 0.02 . 2 . . . . . . . . 4830 1 329 . 1 1 45 45 GLN HG3 H 1 2.39 0.02 . 2 . . . . . . . . 4830 1 330 . 1 1 45 45 GLN N N 15 125.02 0.05 . 1 . . . . . . . . 4830 1 331 . 1 1 46 46 THR H H 1 7.98 0.02 . 1 . . . . . . . . 4830 1 332 . 1 1 46 46 THR HA H 1 5.64 0.02 . 1 . . . . . . . . 4830 1 333 . 1 1 46 46 THR HB H 1 3.90 0.02 . 1 . . . . . . . . 4830 1 334 . 1 1 46 46 THR HG21 H 1 1.14 0.02 . 1 . . . . . . . . 4830 1 335 . 1 1 46 46 THR HG22 H 1 1.14 0.02 . 1 . . . . . . . . 4830 1 336 . 1 1 46 46 THR HG23 H 1 1.14 0.02 . 1 . . . . . . . . 4830 1 337 . 1 1 46 46 THR N N 15 111.53 0.05 . 1 . . . . . . . . 4830 1 338 . 1 1 47 47 TYR H H 1 8.77 0.02 . 1 . . . . . . . . 4830 1 339 . 1 1 47 47 TYR HA H 1 4.78 0.02 . 1 . . . . . . . . 4830 1 340 . 1 1 47 47 TYR HB2 H 1 3.07 0.02 . 2 . . . . . . . . 4830 1 341 . 1 1 47 47 TYR HB3 H 1 2.92 0.02 . 2 . . . . . . . . 4830 1 342 . 1 1 47 47 TYR HD1 H 1 6.87 0.02 . 1 . . . . . . . . 4830 1 343 . 1 1 47 47 TYR HD2 H 1 6.87 0.02 . 1 . . . . . . . . 4830 1 344 . 1 1 47 47 TYR HE1 H 1 6.63 0.02 . 1 . . . . . . . . 4830 1 345 . 1 1 47 47 TYR HE2 H 1 6.63 0.02 . 1 . . . . . . . . 4830 1 346 . 1 1 47 47 TYR N N 15 115.33 0.05 . 1 . . . . . . . . 4830 1 347 . 1 1 48 48 GLY H H 1 8.87 0.02 . 1 . . . . . . . . 4830 1 348 . 1 1 48 48 GLY HA2 H 1 3.82 0.02 . 1 . . . . . . . . 4830 1 349 . 1 1 48 48 GLY HA3 H 1 3.82 0.02 . 1 . . . . . . . . 4830 1 350 . 1 1 48 48 GLY N N 15 106.03 0.05 . 1 . . . . . . . . 4830 1 351 . 1 1 49 49 GLY H H 1 7.28 0.02 . 1 . . . . . . . . 4830 1 352 . 1 1 49 49 GLY HA2 H 1 3.36 0.02 . 2 . . . . . . . . 4830 1 353 . 1 1 49 49 GLY HA3 H 1 2.68 0.02 . 2 . . . . . . . . 4830 1 354 . 1 1 49 49 GLY N N 15 108.27 0.05 . 1 . . . . . . . . 4830 1 355 . 1 1 50 50 ASN H H 1 6.29 0.02 . 1 . . . . . . . . 4830 1 356 . 1 1 50 50 ASN HA H 1 4.67 0.02 . 1 . . . . . . . . 4830 1 357 . 1 1 50 50 ASN HB2 H 1 3.17 0.02 . 2 . . . . . . . . 4830 1 358 . 1 1 50 50 ASN HB3 H 1 2.43 0.02 . 2 . . . . . . . . 4830 1 359 . 1 1 50 50 ASN N N 15 118.65 0.05 . 1 . . . . . . . . 4830 1 360 . 1 1 51 51 SER H H 1 7.57 0.02 . 1 . . . . . . . . 4830 1 361 . 1 1 51 51 SER HA H 1 4.51 0.02 . 1 . . . . . . . . 4830 1 362 . 1 1 51 51 SER HB2 H 1 3.72 0.02 . 1 . . . . . . . . 4830 1 363 . 1 1 51 51 SER HB3 H 1 3.72 0.02 . 1 . . . . . . . . 4830 1 364 . 1 1 51 51 SER N N 15 112.68 0.05 . 1 . . . . . . . . 4830 1 365 . 1 1 52 52 ASN H H 1 8.08 0.02 . 1 . . . . . . . . 4830 1 366 . 1 1 52 52 ASN HA H 1 4.11 0.02 . 1 . . . . . . . . 4830 1 367 . 1 1 52 52 ASN HB2 H 1 3.07 0.02 . 2 . . . . . . . . 4830 1 368 . 1 1 52 52 ASN HB3 H 1 2.62 0.02 . 2 . . . . . . . . 4830 1 369 . 1 1 52 52 ASN N N 15 118.24 0.05 . 1 . . . . . . . . 4830 1 370 . 1 1 53 53 GLY H H 1 8.93 0.02 . 1 . . . . . . . . 4830 1 371 . 1 1 53 53 GLY HA2 H 1 3.88 0.02 . 2 . . . . . . . . 4830 1 372 . 1 1 53 53 GLY HA3 H 1 3.22 0.02 . 2 . . . . . . . . 4830 1 373 . 1 1 53 53 GLY N N 15 105.82 0.05 . 1 . . . . . . . . 4830 1 374 . 1 1 54 54 GLU H H 1 7.30 0.02 . 1 . . . . . . . . 4830 1 375 . 1 1 54 54 GLU HA H 1 4.26 0.02 . 1 . . . . . . . . 4830 1 376 . 1 1 54 54 GLU HB2 H 1 2.23 0.02 . 2 . . . . . . . . 4830 1 377 . 1 1 54 54 GLU HB3 H 1 1.73 0.02 . 2 . . . . . . . . 4830 1 378 . 1 1 54 54 GLU HG2 H 1 2.69 0.02 . 2 . . . . . . . . 4830 1 379 . 1 1 54 54 GLU HG3 H 1 2.53 0.02 . 2 . . . . . . . . 4830 1 380 . 1 1 54 54 GLU N N 15 121.31 0.05 . 1 . . . . . . . . 4830 1 381 . 1 1 55 55 PRO HA H 1 4.43 0.02 . 1 . . . . . . . . 4830 1 382 . 1 1 55 55 PRO HB2 H 1 2.34 0.02 . 2 . . . . . . . . 4830 1 383 . 1 1 55 55 PRO HB3 H 1 1.85 0.02 . 2 . . . . . . . . 4830 1 384 . 1 1 55 55 PRO HG2 H 1 1.98 0.02 . 1 . . . . . . . . 4830 1 385 . 1 1 55 55 PRO HG3 H 1 1.98 0.02 . 1 . . . . . . . . 4830 1 386 . 1 1 55 55 PRO HD2 H 1 3.71 0.02 . 2 . . . . . . . . 4830 1 387 . 1 1 55 55 PRO HD3 H 1 3.58 0.02 . 2 . . . . . . . . 4830 1 388 . 1 1 56 56 CYS H H 1 8.06 0.02 . 1 . . . . . . . . 4830 1 389 . 1 1 56 56 CYS HA H 1 4.55 0.02 . 1 . . . . . . . . 4830 1 390 . 1 1 56 56 CYS HB2 H 1 2.77 0.02 . 2 . . . . . . . . 4830 1 391 . 1 1 56 56 CYS HB3 H 1 2.40 0.02 . 2 . . . . . . . . 4830 1 392 . 1 1 56 56 CYS N N 15 115.60 0.05 . 1 . . . . . . . . 4830 1 393 . 1 1 57 57 VAL H H 1 8.66 0.02 . 1 . . . . . . . . 4830 1 394 . 1 1 57 57 VAL HA H 1 3.88 0.02 . 1 . . . . . . . . 4830 1 395 . 1 1 57 57 VAL HB H 1 1.43 0.02 . 1 . . . . . . . . 4830 1 396 . 1 1 57 57 VAL HG11 H 1 0.75 0.02 . 2 . . . . . . . . 4830 1 397 . 1 1 57 57 VAL HG12 H 1 0.75 0.02 . 2 . . . . . . . . 4830 1 398 . 1 1 57 57 VAL HG13 H 1 0.75 0.02 . 2 . . . . . . . . 4830 1 399 . 1 1 57 57 VAL HG21 H 1 0.64 0.02 . 2 . . . . . . . . 4830 1 400 . 1 1 57 57 VAL HG22 H 1 0.64 0.02 . 2 . . . . . . . . 4830 1 401 . 1 1 57 57 VAL HG23 H 1 0.64 0.02 . 2 . . . . . . . . 4830 1 402 . 1 1 57 57 VAL N N 15 126.13 0.05 . 1 . . . . . . . . 4830 1 403 . 1 1 58 58 LEU H H 1 7.81 0.02 . 1 . . . . . . . . 4830 1 404 . 1 1 58 58 LEU HA H 1 4.80 0.02 . 1 . . . . . . . . 4830 1 405 . 1 1 58 58 LEU HB2 H 1 1.73 0.02 . 2 . . . . . . . . 4830 1 406 . 1 1 58 58 LEU HB3 H 1 1.08 0.02 . 2 . . . . . . . . 4830 1 407 . 1 1 58 58 LEU HG H 1 1.43 0.02 . 1 . . . . . . . . 4830 1 408 . 1 1 58 58 LEU HD11 H 1 0.91 0.02 . 2 . . . . . . . . 4830 1 409 . 1 1 58 58 LEU HD12 H 1 0.91 0.02 . 2 . . . . . . . . 4830 1 410 . 1 1 58 58 LEU HD13 H 1 0.91 0.02 . 2 . . . . . . . . 4830 1 411 . 1 1 58 58 LEU HD21 H 1 0.83 0.02 . 2 . . . . . . . . 4830 1 412 . 1 1 58 58 LEU HD22 H 1 0.83 0.02 . 2 . . . . . . . . 4830 1 413 . 1 1 58 58 LEU HD23 H 1 0.83 0.02 . 2 . . . . . . . . 4830 1 414 . 1 1 58 58 LEU N N 15 121.14 0.05 . 1 . . . . . . . . 4830 1 415 . 1 1 59 59 PRO HA H 1 4.90 0.02 . 1 . . . . . . . . 4830 1 416 . 1 1 59 59 PRO HB2 H 1 1.43 0.02 . 2 . . . . . . . . 4830 1 417 . 1 1 59 59 PRO HB3 H 1 1.28 0.02 . 2 . . . . . . . . 4830 1 418 . 1 1 59 59 PRO HG2 H 1 1.65 0.02 . 2 . . . . . . . . 4830 1 419 . 1 1 59 59 PRO HG3 H 1 1.74 0.02 . 2 . . . . . . . . 4830 1 420 . 1 1 59 59 PRO HD2 H 1 3.65 0.02 . 2 . . . . . . . . 4830 1 421 . 1 1 59 59 PRO HD3 H 1 3.38 0.02 . 2 . . . . . . . . 4830 1 422 . 1 1 60 60 PHE H H 1 8.28 0.02 . 1 . . . . . . . . 4830 1 423 . 1 1 60 60 PHE HA H 1 5.34 0.02 . 1 . . . . . . . . 4830 1 424 . 1 1 60 60 PHE HB2 H 1 3.64 0.02 . 2 . . . . . . . . 4830 1 425 . 1 1 60 60 PHE HB3 H 1 3.28 0.02 . 2 . . . . . . . . 4830 1 426 . 1 1 60 60 PHE HD1 H 1 7.32 0.02 . 1 . . . . . . . . 4830 1 427 . 1 1 60 60 PHE HD2 H 1 7.32 0.02 . 1 . . . . . . . . 4830 1 428 . 1 1 60 60 PHE HE1 H 1 6.50 0.02 . 1 . . . . . . . . 4830 1 429 . 1 1 60 60 PHE HE2 H 1 6.50 0.02 . 1 . . . . . . . . 4830 1 430 . 1 1 60 60 PHE HZ H 1 6.15 0.02 . 1 . . . . . . . . 4830 1 431 . 1 1 60 60 PHE N N 15 113.11 0.05 . 1 . . . . . . . . 4830 1 432 . 1 1 61 61 THR H H 1 8.81 0.02 . 1 . . . . . . . . 4830 1 433 . 1 1 61 61 THR HA H 1 5.59 0.02 . 1 . . . . . . . . 4830 1 434 . 1 1 61 61 THR HB H 1 4.08 0.02 . 1 . . . . . . . . 4830 1 435 . 1 1 61 61 THR HG21 H 1 1.14 0.02 . 1 . . . . . . . . 4830 1 436 . 1 1 61 61 THR HG22 H 1 1.14 0.02 . 1 . . . . . . . . 4830 1 437 . 1 1 61 61 THR HG23 H 1 1.14 0.02 . 1 . . . . . . . . 4830 1 438 . 1 1 61 61 THR N N 15 115.18 0.05 . 1 . . . . . . . . 4830 1 439 . 1 1 62 62 TYR H H 1 9.20 0.02 . 1 . . . . . . . . 4830 1 440 . 1 1 62 62 TYR HA H 1 5.22 0.02 . 1 . . . . . . . . 4830 1 441 . 1 1 62 62 TYR HB2 H 1 3.60 0.02 . 2 . . . . . . . . 4830 1 442 . 1 1 62 62 TYR HB3 H 1 3.03 0.02 . 2 . . . . . . . . 4830 1 443 . 1 1 62 62 TYR HD1 H 1 7.31 0.02 . 1 . . . . . . . . 4830 1 444 . 1 1 62 62 TYR HD2 H 1 7.31 0.02 . 1 . . . . . . . . 4830 1 445 . 1 1 62 62 TYR HE1 H 1 6.93 0.02 . 1 . . . . . . . . 4830 1 446 . 1 1 62 62 TYR HE2 H 1 6.93 0.02 . 1 . . . . . . . . 4830 1 447 . 1 1 62 62 TYR N N 15 123.99 0.05 . 1 . . . . . . . . 4830 1 448 . 1 1 63 63 ASN H H 1 9.26 0.02 . 1 . . . . . . . . 4830 1 449 . 1 1 63 63 ASN HA H 1 4.21 0.02 . 1 . . . . . . . . 4830 1 450 . 1 1 63 63 ASN HB2 H 1 2.92 0.02 . 2 . . . . . . . . 4830 1 451 . 1 1 63 63 ASN HB3 H 1 1.74 0.02 . 2 . . . . . . . . 4830 1 452 . 1 1 63 63 ASN HD21 H 1 7.33 0.02 . 2 . . . . . . . . 4830 1 453 . 1 1 63 63 ASN HD22 H 1 6.67 0.02 . 2 . . . . . . . . 4830 1 454 . 1 1 63 63 ASN N N 15 128.65 0.05 . 1 . . . . . . . . 4830 1 455 . 1 1 63 63 ASN ND2 N 15 110.05 0.05 . 1 . . . . . . . . 4830 1 456 . 1 1 64 64 GLY H H 1 8.74 0.02 . 1 . . . . . . . . 4830 1 457 . 1 1 64 64 GLY HA2 H 1 4.08 0.02 . 2 . . . . . . . . 4830 1 458 . 1 1 64 64 GLY HA3 H 1 3.60 0.02 . 2 . . . . . . . . 4830 1 459 . 1 1 64 64 GLY N N 15 102.93 0.05 . 1 . . . . . . . . 4830 1 460 . 1 1 65 65 ARG H H 1 7.89 0.02 . 1 . . . . . . . . 4830 1 461 . 1 1 65 65 ARG HA H 1 4.52 0.02 . 1 . . . . . . . . 4830 1 462 . 1 1 65 65 ARG HB2 H 1 1.71 0.02 . 1 . . . . . . . . 4830 1 463 . 1 1 65 65 ARG HB3 H 1 1.71 0.02 . 1 . . . . . . . . 4830 1 464 . 1 1 65 65 ARG HG2 H 1 1.48 0.02 . 2 . . . . . . . . 4830 1 465 . 1 1 65 65 ARG HG3 H 1 1.20 0.02 . 2 . . . . . . . . 4830 1 466 . 1 1 65 65 ARG HD2 H 1 3.10 0.02 . 1 . . . . . . . . 4830 1 467 . 1 1 65 65 ARG HD3 H 1 3.10 0.02 . 1 . . . . . . . . 4830 1 468 . 1 1 65 65 ARG N N 15 121.59 0.05 . 1 . . . . . . . . 4830 1 469 . 1 1 66 66 THR H H 1 8.16 0.02 . 1 . . . . . . . . 4830 1 470 . 1 1 66 66 THR HA H 1 4.48 0.02 . 1 . . . . . . . . 4830 1 471 . 1 1 66 66 THR HB H 1 3.65 0.02 . 1 . . . . . . . . 4830 1 472 . 1 1 66 66 THR HG21 H 1 0.69 0.02 . 1 . . . . . . . . 4830 1 473 . 1 1 66 66 THR HG22 H 1 0.69 0.02 . 1 . . . . . . . . 4830 1 474 . 1 1 66 66 THR HG23 H 1 0.69 0.02 . 1 . . . . . . . . 4830 1 475 . 1 1 66 66 THR N N 15 117.91 0.05 . 1 . . . . . . . . 4830 1 476 . 1 1 67 67 PHE H H 1 9.02 0.02 . 1 . . . . . . . . 4830 1 477 . 1 1 67 67 PHE HA H 1 4.28 0.02 . 1 . . . . . . . . 4830 1 478 . 1 1 67 67 PHE HB2 H 1 2.65 0.02 . 2 . . . . . . . . 4830 1 479 . 1 1 67 67 PHE HB3 H 1 1.01 0.02 . 2 . . . . . . . . 4830 1 480 . 1 1 67 67 PHE HD1 H 1 6.89 0.02 . 1 . . . . . . . . 4830 1 481 . 1 1 67 67 PHE HD2 H 1 6.89 0.02 . 1 . . . . . . . . 4830 1 482 . 1 1 67 67 PHE HE1 H 1 7.51 0.02 . 1 . . . . . . . . 4830 1 483 . 1 1 67 67 PHE HE2 H 1 7.51 0.02 . 1 . . . . . . . . 4830 1 484 . 1 1 67 67 PHE HZ H 1 7.23 0.02 . 1 . . . . . . . . 4830 1 485 . 1 1 67 67 PHE N N 15 126.07 0.05 . 1 . . . . . . . . 4830 1 486 . 1 1 68 68 TYR H H 1 8.92 0.02 . 1 . . . . . . . . 4830 1 487 . 1 1 68 68 TYR HA H 1 4.54 0.02 . 1 . . . . . . . . 4830 1 488 . 1 1 68 68 TYR HB2 H 1 3.37 0.02 . 2 . . . . . . . . 4830 1 489 . 1 1 68 68 TYR HB3 H 1 2.64 0.02 . 2 . . . . . . . . 4830 1 490 . 1 1 68 68 TYR HD1 H 1 7.09 0.02 . 1 . . . . . . . . 4830 1 491 . 1 1 68 68 TYR HD2 H 1 7.09 0.02 . 1 . . . . . . . . 4830 1 492 . 1 1 68 68 TYR HE1 H 1 6.73 0.02 . 1 . . . . . . . . 4830 1 493 . 1 1 68 68 TYR HE2 H 1 6.73 0.02 . 1 . . . . . . . . 4830 1 494 . 1 1 68 68 TYR N N 15 119.04 0.05 . 1 . . . . . . . . 4830 1 495 . 1 1 69 69 SER H H 1 7.84 0.02 . 1 . . . . . . . . 4830 1 496 . 1 1 69 69 SER HA H 1 4.54 0.02 . 1 . . . . . . . . 4830 1 497 . 1 1 69 69 SER HB2 H 1 4.07 0.02 . 2 . . . . . . . . 4830 1 498 . 1 1 69 69 SER HB3 H 1 3.84 0.02 . 2 . . . . . . . . 4830 1 499 . 1 1 69 69 SER N N 15 112.19 0.05 . 1 . . . . . . . . 4830 1 500 . 1 1 70 70 CYS H H 1 8.25 0.02 . 1 . . . . . . . . 4830 1 501 . 1 1 70 70 CYS HA H 1 4.62 0.02 . 1 . . . . . . . . 4830 1 502 . 1 1 70 70 CYS HB2 H 1 3.59 0.02 . 2 . . . . . . . . 4830 1 503 . 1 1 70 70 CYS HB3 H 1 2.69 0.02 . 2 . . . . . . . . 4830 1 504 . 1 1 70 70 CYS N N 15 112.61 0.05 . 1 . . . . . . . . 4830 1 505 . 1 1 71 71 THR H H 1 8.48 0.02 . 1 . . . . . . . . 4830 1 506 . 1 1 71 71 THR HA H 1 4.77 0.02 . 1 . . . . . . . . 4830 1 507 . 1 1 71 71 THR HB H 1 3.53 0.02 . 1 . . . . . . . . 4830 1 508 . 1 1 71 71 THR HG21 H 1 -0.26 0.02 . 1 . . . . . . . . 4830 1 509 . 1 1 71 71 THR HG22 H 1 -0.26 0.02 . 1 . . . . . . . . 4830 1 510 . 1 1 71 71 THR HG23 H 1 -0.26 0.02 . 1 . . . . . . . . 4830 1 511 . 1 1 71 71 THR N N 15 115.50 0.05 . 1 . . . . . . . . 4830 1 512 . 1 1 72 72 THR H H 1 8.00 0.02 . 1 . . . . . . . . 4830 1 513 . 1 1 72 72 THR HA H 1 4.96 0.02 . 1 . . . . . . . . 4830 1 514 . 1 1 72 72 THR HB H 1 4.44 0.02 . 1 . . . . . . . . 4830 1 515 . 1 1 72 72 THR HG21 H 1 1.06 0.02 . 1 . . . . . . . . 4830 1 516 . 1 1 72 72 THR HG22 H 1 1.06 0.02 . 1 . . . . . . . . 4830 1 517 . 1 1 72 72 THR HG23 H 1 1.06 0.02 . 1 . . . . . . . . 4830 1 518 . 1 1 72 72 THR N N 15 113.63 0.05 . 1 . . . . . . . . 4830 1 519 . 1 1 73 73 GLU H H 1 8.54 0.02 . 1 . . . . . . . . 4830 1 520 . 1 1 73 73 GLU HA H 1 4.15 0.02 . 1 . . . . . . . . 4830 1 521 . 1 1 73 73 GLU HB2 H 1 2.13 0.02 . 1 . . . . . . . . 4830 1 522 . 1 1 73 73 GLU HB3 H 1 2.13 0.02 . 1 . . . . . . . . 4830 1 523 . 1 1 73 73 GLU HG2 H 1 2.60 0.02 . 1 . . . . . . . . 4830 1 524 . 1 1 73 73 GLU HG3 H 1 2.60 0.02 . 1 . . . . . . . . 4830 1 525 . 1 1 73 73 GLU N N 15 124.87 0.05 . 1 . . . . . . . . 4830 1 526 . 1 1 74 74 GLY H H 1 8.94 0.02 . 1 . . . . . . . . 4830 1 527 . 1 1 74 74 GLY HA2 H 1 4.39 0.02 . 2 . . . . . . . . 4830 1 528 . 1 1 74 74 GLY HA3 H 1 3.83 0.02 . 2 . . . . . . . . 4830 1 529 . 1 1 74 74 GLY N N 15 110.15 0.05 . 1 . . . . . . . . 4830 1 530 . 1 1 75 75 ARG H H 1 7.82 0.02 . 1 . . . . . . . . 4830 1 531 . 1 1 75 75 ARG HA H 1 4.55 0.02 . 1 . . . . . . . . 4830 1 532 . 1 1 75 75 ARG HB2 H 1 2.05 0.02 . 2 . . . . . . . . 4830 1 533 . 1 1 75 75 ARG HB3 H 1 1.90 0.02 . 2 . . . . . . . . 4830 1 534 . 1 1 75 75 ARG HG2 H 1 1.28 0.02 . 2 . . . . . . . . 4830 1 535 . 1 1 75 75 ARG HG3 H 1 1.06 0.02 . 2 . . . . . . . . 4830 1 536 . 1 1 75 75 ARG HD2 H 1 3.07 0.02 . 2 . . . . . . . . 4830 1 537 . 1 1 75 75 ARG HD3 H 1 2.69 0.02 . 2 . . . . . . . . 4830 1 538 . 1 1 75 75 ARG N N 15 116.83 0.05 . 1 . . . . . . . . 4830 1 539 . 1 1 76 76 GLN H H 1 9.02 0.02 . 1 . . . . . . . . 4830 1 540 . 1 1 76 76 GLN HA H 1 4.53 0.02 . 1 . . . . . . . . 4830 1 541 . 1 1 76 76 GLN HB2 H 1 2.25 0.02 . 2 . . . . . . . . 4830 1 542 . 1 1 76 76 GLN HB3 H 1 1.93 0.02 . 2 . . . . . . . . 4830 1 543 . 1 1 76 76 GLN HG2 H 1 2.37 0.02 . 2 . . . . . . . . 4830 1 544 . 1 1 76 76 GLN HG3 H 1 2.25 0.02 . 2 . . . . . . . . 4830 1 545 . 1 1 76 76 GLN N N 15 120.80 0.05 . 1 . . . . . . . . 4830 1 546 . 1 1 77 77 ASP H H 1 7.92 0.02 . 1 . . . . . . . . 4830 1 547 . 1 1 77 77 ASP HA H 1 4.50 0.02 . 1 . . . . . . . . 4830 1 548 . 1 1 77 77 ASP HB2 H 1 3.00 0.02 . 2 . . . . . . . . 4830 1 549 . 1 1 77 77 ASP HB3 H 1 2.63 0.02 . 2 . . . . . . . . 4830 1 550 . 1 1 77 77 ASP N N 15 116.34 0.05 . 1 . . . . . . . . 4830 1 551 . 1 1 78 78 GLY H H 1 8.18 0.02 . 1 . . . . . . . . 4830 1 552 . 1 1 78 78 GLY HA2 H 1 3.96 0.02 . 2 . . . . . . . . 4830 1 553 . 1 1 78 78 GLY HA3 H 1 3.71 0.02 . 2 . . . . . . . . 4830 1 554 . 1 1 78 78 GLY N N 15 107.69 0.05 . 1 . . . . . . . . 4830 1 555 . 1 1 79 79 HIS H H 1 7.78 0.02 . 1 . . . . . . . . 4830 1 556 . 1 1 79 79 HIS HA H 1 4.40 0.02 . 1 . . . . . . . . 4830 1 557 . 1 1 79 79 HIS HB2 H 1 2.74 0.02 . 2 . . . . . . . . 4830 1 558 . 1 1 79 79 HIS HB3 H 1 2.59 0.02 . 2 . . . . . . . . 4830 1 559 . 1 1 79 79 HIS HD2 H 1 6.94 0.02 . 1 . . . . . . . . 4830 1 560 . 1 1 79 79 HIS HE1 H 1 8.50 0.02 . 1 . . . . . . . . 4830 1 561 . 1 1 79 79 HIS N N 15 116.83 0.05 . 1 . . . . . . . . 4830 1 562 . 1 1 80 80 LEU H H 1 8.25 0.02 . 1 . . . . . . . . 4830 1 563 . 1 1 80 80 LEU HA H 1 4.36 0.02 . 1 . . . . . . . . 4830 1 564 . 1 1 80 80 LEU HB2 H 1 1.87 0.02 . 2 . . . . . . . . 4830 1 565 . 1 1 80 80 LEU HB3 H 1 1.21 0.02 . 2 . . . . . . . . 4830 1 566 . 1 1 80 80 LEU HG H 1 1.62 0.02 . 1 . . . . . . . . 4830 1 567 . 1 1 80 80 LEU HD11 H 1 0.78 0.02 . 2 . . . . . . . . 4830 1 568 . 1 1 80 80 LEU HD12 H 1 0.78 0.02 . 2 . . . . . . . . 4830 1 569 . 1 1 80 80 LEU HD13 H 1 0.78 0.02 . 2 . . . . . . . . 4830 1 570 . 1 1 80 80 LEU HD21 H 1 0.65 0.02 . 2 . . . . . . . . 4830 1 571 . 1 1 80 80 LEU HD22 H 1 0.65 0.02 . 2 . . . . . . . . 4830 1 572 . 1 1 80 80 LEU HD23 H 1 0.65 0.02 . 2 . . . . . . . . 4830 1 573 . 1 1 80 80 LEU N N 15 122.76 0.05 . 1 . . . . . . . . 4830 1 574 . 1 1 81 81 TRP H H 1 9.65 0.02 . 1 . . . . . . . . 4830 1 575 . 1 1 81 81 TRP HA H 1 5.87 0.02 . 1 . . . . . . . . 4830 1 576 . 1 1 81 81 TRP HB2 H 1 3.35 0.02 . 2 . . . . . . . . 4830 1 577 . 1 1 81 81 TRP HB3 H 1 2.90 0.02 . 2 . . . . . . . . 4830 1 578 . 1 1 81 81 TRP HD1 H 1 7.27 0.02 . 1 . . . . . . . . 4830 1 579 . 1 1 81 81 TRP HE1 H 1 9.93 0.02 . 1 . . . . . . . . 4830 1 580 . 1 1 81 81 TRP HE3 H 1 6.62 0.02 . 1 . . . . . . . . 4830 1 581 . 1 1 81 81 TRP HZ2 H 1 6.32 0.02 . 1 . . . . . . . . 4830 1 582 . 1 1 81 81 TRP HZ3 H 1 5.23 0.02 . 1 . . . . . . . . 4830 1 583 . 1 1 81 81 TRP HH2 H 1 5.61 0.02 . 1 . . . . . . . . 4830 1 584 . 1 1 81 81 TRP N N 15 121.40 0.05 . 1 . . . . . . . . 4830 1 585 . 1 1 81 81 TRP NE1 N 15 129.75 0.05 . 1 . . . . . . . . 4830 1 586 . 1 1 82 82 CYS H H 1 8.78 0.02 . 1 . . . . . . . . 4830 1 587 . 1 1 82 82 CYS HA H 1 4.05 0.02 . 1 . . . . . . . . 4830 1 588 . 1 1 82 82 CYS HB2 H 1 3.33 0.02 . 2 . . . . . . . . 4830 1 589 . 1 1 82 82 CYS HB3 H 1 2.78 0.02 . 2 . . . . . . . . 4830 1 590 . 1 1 82 82 CYS N N 15 109.76 0.05 . 1 . . . . . . . . 4830 1 591 . 1 1 83 83 SER H H 1 3.83 0.02 . 1 . . . . . . . . 4830 1 592 . 1 1 83 83 SER HA H 1 4.96 0.02 . 1 . . . . . . . . 4830 1 593 . 1 1 83 83 SER HB2 H 1 3.60 0.02 . 2 . . . . . . . . 4830 1 594 . 1 1 83 83 SER HB3 H 1 3.28 0.02 . 2 . . . . . . . . 4830 1 595 . 1 1 83 83 SER N N 15 110.37 0.05 . 1 . . . . . . . . 4830 1 596 . 1 1 84 84 THR H H 1 8.12 0.02 . 1 . . . . . . . . 4830 1 597 . 1 1 84 84 THR HA H 1 4.69 0.02 . 1 . . . . . . . . 4830 1 598 . 1 1 84 84 THR HB H 1 4.40 0.02 . 1 . . . . . . . . 4830 1 599 . 1 1 84 84 THR HG21 H 1 0.91 0.02 . 1 . . . . . . . . 4830 1 600 . 1 1 84 84 THR HG22 H 1 0.91 0.02 . 1 . . . . . . . . 4830 1 601 . 1 1 84 84 THR HG23 H 1 0.91 0.02 . 1 . . . . . . . . 4830 1 602 . 1 1 84 84 THR N N 15 114.52 0.05 . 1 . . . . . . . . 4830 1 603 . 1 1 85 85 THR H H 1 8.05 0.02 . 1 . . . . . . . . 4830 1 604 . 1 1 85 85 THR HA H 1 5.17 0.02 . 1 . . . . . . . . 4830 1 605 . 1 1 85 85 THR HB H 1 4.56 0.02 . 1 . . . . . . . . 4830 1 606 . 1 1 85 85 THR HG21 H 1 1.14 0.02 . 1 . . . . . . . . 4830 1 607 . 1 1 85 85 THR HG22 H 1 1.14 0.02 . 1 . . . . . . . . 4830 1 608 . 1 1 85 85 THR HG23 H 1 1.14 0.02 . 1 . . . . . . . . 4830 1 609 . 1 1 85 85 THR N N 15 109.93 0.05 . 1 . . . . . . . . 4830 1 610 . 1 1 86 86 SER H H 1 9.02 0.02 . 1 . . . . . . . . 4830 1 611 . 1 1 86 86 SER HA H 1 4.56 0.02 . 1 . . . . . . . . 4830 1 612 . 1 1 86 86 SER HB2 H 1 4.15 0.02 . 2 . . . . . . . . 4830 1 613 . 1 1 86 86 SER HB3 H 1 3.99 0.02 . 2 . . . . . . . . 4830 1 614 . 1 1 86 86 SER N N 15 114.28 0.05 . 1 . . . . . . . . 4830 1 615 . 1 1 87 87 ASN H H 1 8.05 0.02 . 1 . . . . . . . . 4830 1 616 . 1 1 87 87 ASN HA H 1 4.99 0.02 . 1 . . . . . . . . 4830 1 617 . 1 1 87 87 ASN HB2 H 1 3.11 0.02 . 2 . . . . . . . . 4830 1 618 . 1 1 87 87 ASN HB3 H 1 2.56 0.02 . 2 . . . . . . . . 4830 1 619 . 1 1 87 87 ASN HD21 H 1 7.71 0.02 . 2 . . . . . . . . 4830 1 620 . 1 1 87 87 ASN HD22 H 1 6.84 0.02 . 2 . . . . . . . . 4830 1 621 . 1 1 87 87 ASN N N 15 120.32 0.05 . 1 . . . . . . . . 4830 1 622 . 1 1 87 87 ASN ND2 N 15 111.69 0.05 . 1 . . . . . . . . 4830 1 623 . 1 1 88 88 TYR H H 1 9.28 0.02 . 1 . . . . . . . . 4830 1 624 . 1 1 88 88 TYR HA H 1 4.94 0.02 . 1 . . . . . . . . 4830 1 625 . 1 1 88 88 TYR HB2 H 1 3.62 0.02 . 2 . . . . . . . . 4830 1 626 . 1 1 88 88 TYR HB3 H 1 3.43 0.02 . 2 . . . . . . . . 4830 1 627 . 1 1 88 88 TYR HD1 H 1 7.39 0.02 . 1 . . . . . . . . 4830 1 628 . 1 1 88 88 TYR HD2 H 1 7.39 0.02 . 1 . . . . . . . . 4830 1 629 . 1 1 88 88 TYR HE1 H 1 6.40 0.02 . 1 . . . . . . . . 4830 1 630 . 1 1 88 88 TYR HE2 H 1 6.40 0.02 . 1 . . . . . . . . 4830 1 631 . 1 1 88 88 TYR N N 15 126.41 0.05 . 1 . . . . . . . . 4830 1 632 . 1 1 89 89 GLU H H 1 9.07 0.02 . 1 . . . . . . . . 4830 1 633 . 1 1 89 89 GLU HA H 1 3.90 0.02 . 1 . . . . . . . . 4830 1 634 . 1 1 89 89 GLU HB2 H 1 2.26 0.02 . 2 . . . . . . . . 4830 1 635 . 1 1 89 89 GLU HB3 H 1 2.15 0.02 . 2 . . . . . . . . 4830 1 636 . 1 1 89 89 GLU HG2 H 1 2.69 0.02 . 2 . . . . . . . . 4830 1 637 . 1 1 89 89 GLU HG3 H 1 2.62 0.02 . 2 . . . . . . . . 4830 1 638 . 1 1 89 89 GLU N N 15 116.43 0.05 . 1 . . . . . . . . 4830 1 639 . 1 1 90 90 GLN H H 1 7.15 0.02 . 1 . . . . . . . . 4830 1 640 . 1 1 90 90 GLN HA H 1 4.18 0.02 . 1 . . . . . . . . 4830 1 641 . 1 1 90 90 GLN HB2 H 1 1.91 0.02 . 2 . . . . . . . . 4830 1 642 . 1 1 90 90 GLN HB3 H 1 1.81 0.02 . 2 . . . . . . . . 4830 1 643 . 1 1 90 90 GLN HG2 H 1 2.30 0.02 . 2 . . . . . . . . 4830 1 644 . 1 1 90 90 GLN HG3 H 1 2.25 0.02 . 2 . . . . . . . . 4830 1 645 . 1 1 90 90 GLN N N 15 114.18 0.05 . 1 . . . . . . . . 4830 1 646 . 1 1 91 91 ASP H H 1 8.20 0.02 . 1 . . . . . . . . 4830 1 647 . 1 1 91 91 ASP HA H 1 4.42 0.02 . 1 . . . . . . . . 4830 1 648 . 1 1 91 91 ASP HB2 H 1 2.71 0.02 . 2 . . . . . . . . 4830 1 649 . 1 1 91 91 ASP HB3 H 1 2.49 0.02 . 2 . . . . . . . . 4830 1 650 . 1 1 91 91 ASP N N 15 117.31 0.05 . 1 . . . . . . . . 4830 1 651 . 1 1 92 92 GLN H H 1 8.97 0.02 . 1 . . . . . . . . 4830 1 652 . 1 1 92 92 GLN HA H 1 2.80 0.02 . 1 . . . . . . . . 4830 1 653 . 1 1 92 92 GLN HB2 H 1 2.03 0.02 . 2 . . . . . . . . 4830 1 654 . 1 1 92 92 GLN HB3 H 1 1.96 0.02 . 2 . . . . . . . . 4830 1 655 . 1 1 92 92 GLN HG2 H 1 1.78 0.02 . 1 . . . . . . . . 4830 1 656 . 1 1 92 92 GLN HG3 H 1 1.78 0.02 . 1 . . . . . . . . 4830 1 657 . 1 1 92 92 GLN HE21 H 1 7.15 0.02 . 2 . . . . . . . . 4830 1 658 . 1 1 92 92 GLN HE22 H 1 6.54 0.02 . 2 . . . . . . . . 4830 1 659 . 1 1 92 92 GLN N N 15 115.29 0.05 . 1 . . . . . . . . 4830 1 660 . 1 1 92 92 GLN NE2 N 15 112.76 0.05 . 1 . . . . . . . . 4830 1 661 . 1 1 93 93 LYS H H 1 8.56 0.02 . 1 . . . . . . . . 4830 1 662 . 1 1 93 93 LYS HA H 1 5.00 0.02 . 1 . . . . . . . . 4830 1 663 . 1 1 93 93 LYS HB2 H 1 1.87 0.02 . 1 . . . . . . . . 4830 1 664 . 1 1 93 93 LYS HB3 H 1 1.87 0.02 . 1 . . . . . . . . 4830 1 665 . 1 1 93 93 LYS HG2 H 1 1.15 0.02 . 1 . . . . . . . . 4830 1 666 . 1 1 93 93 LYS HG3 H 1 1.15 0.02 . 1 . . . . . . . . 4830 1 667 . 1 1 93 93 LYS HD2 H 1 1.46 0.02 . 2 . . . . . . . . 4830 1 668 . 1 1 93 93 LYS HD3 H 1 1.28 0.02 . 2 . . . . . . . . 4830 1 669 . 1 1 93 93 LYS HE2 H 1 2.80 0.02 . 1 . . . . . . . . 4830 1 670 . 1 1 93 93 LYS HE3 H 1 2.80 0.02 . 1 . . . . . . . . 4830 1 671 . 1 1 93 93 LYS N N 15 118.95 0.05 . 1 . . . . . . . . 4830 1 672 . 1 1 94 94 TYR H H 1 9.26 0.02 . 1 . . . . . . . . 4830 1 673 . 1 1 94 94 TYR HA H 1 5.78 0.02 . 1 . . . . . . . . 4830 1 674 . 1 1 94 94 TYR HB2 H 1 3.09 0.02 . 2 . . . . . . . . 4830 1 675 . 1 1 94 94 TYR HB3 H 1 2.83 0.02 . 2 . . . . . . . . 4830 1 676 . 1 1 94 94 TYR HD1 H 1 6.56 0.02 . 1 . . . . . . . . 4830 1 677 . 1 1 94 94 TYR HD2 H 1 6.56 0.02 . 1 . . . . . . . . 4830 1 678 . 1 1 94 94 TYR HE1 H 1 6.35 0.02 . 1 . . . . . . . . 4830 1 679 . 1 1 94 94 TYR HE2 H 1 6.35 0.02 . 1 . . . . . . . . 4830 1 680 . 1 1 94 94 TYR N N 15 119.44 0.05 . 1 . . . . . . . . 4830 1 681 . 1 1 95 95 SER H H 1 8.37 0.02 . 1 . . . . . . . . 4830 1 682 . 1 1 95 95 SER HA H 1 4.54 0.02 . 1 . . . . . . . . 4830 1 683 . 1 1 95 95 SER HB2 H 1 3.65 0.02 . 2 . . . . . . . . 4830 1 684 . 1 1 95 95 SER HB3 H 1 3.27 0.02 . 2 . . . . . . . . 4830 1 685 . 1 1 95 95 SER N N 15 118.16 0.05 . 1 . . . . . . . . 4830 1 686 . 1 1 96 96 PHE H H 1 7.96 0.02 . 1 . . . . . . . . 4830 1 687 . 1 1 96 96 PHE HA H 1 5.71 0.02 . 1 . . . . . . . . 4830 1 688 . 1 1 96 96 PHE HB2 H 1 2.73 0.02 . 2 . . . . . . . . 4830 1 689 . 1 1 96 96 PHE HB3 H 1 1.74 0.02 . 2 . . . . . . . . 4830 1 690 . 1 1 96 96 PHE HD1 H 1 7.17 0.02 . 1 . . . . . . . . 4830 1 691 . 1 1 96 96 PHE HD2 H 1 7.17 0.02 . 1 . . . . . . . . 4830 1 692 . 1 1 96 96 PHE HE1 H 1 7.12 0.02 . 1 . . . . . . . . 4830 1 693 . 1 1 96 96 PHE HE2 H 1 7.12 0.02 . 1 . . . . . . . . 4830 1 694 . 1 1 96 96 PHE HZ H 1 7.27 0.02 . 1 . . . . . . . . 4830 1 695 . 1 1 96 96 PHE N N 15 117.89 0.05 . 1 . . . . . . . . 4830 1 696 . 1 1 97 97 CYS H H 1 7.91 0.02 . 1 . . . . . . . . 4830 1 697 . 1 1 97 97 CYS HA H 1 5.52 0.02 . 1 . . . . . . . . 4830 1 698 . 1 1 97 97 CYS HB2 H 1 3.20 0.02 . 1 . . . . . . . . 4830 1 699 . 1 1 97 97 CYS HB3 H 1 3.20 0.02 . 1 . . . . . . . . 4830 1 700 . 1 1 97 97 CYS N N 15 115.55 0.05 . 1 . . . . . . . . 4830 1 701 . 1 1 98 98 THR H H 1 8.53 0.02 . 1 . . . . . . . . 4830 1 702 . 1 1 98 98 THR HA H 1 4.47 0.02 . 1 . . . . . . . . 4830 1 703 . 1 1 98 98 THR HB H 1 4.29 0.02 . 1 . . . . . . . . 4830 1 704 . 1 1 98 98 THR HG21 H 1 1.22 0.02 . 1 . . . . . . . . 4830 1 705 . 1 1 98 98 THR HG22 H 1 1.22 0.02 . 1 . . . . . . . . 4830 1 706 . 1 1 98 98 THR HG23 H 1 1.22 0.02 . 1 . . . . . . . . 4830 1 707 . 1 1 98 98 THR N N 15 115.28 0.05 . 1 . . . . . . . . 4830 1 708 . 1 1 99 99 ASP H H 1 8.33 0.02 . 1 . . . . . . . . 4830 1 709 . 1 1 99 99 ASP HA H 1 4.57 0.02 . 1 . . . . . . . . 4830 1 710 . 1 1 99 99 ASP HB2 H 1 2.69 0.02 . 1 . . . . . . . . 4830 1 711 . 1 1 99 99 ASP HB3 H 1 2.69 0.02 . 1 . . . . . . . . 4830 1 712 . 1 1 99 99 ASP N N 15 121.24 0.05 . 1 . . . . . . . . 4830 1 713 . 1 1 100 100 HIS H H 1 8.54 0.02 . 1 . . . . . . . . 4830 1 714 . 1 1 100 100 HIS HA H 1 4.77 0.02 . 1 . . . . . . . . 4830 1 715 . 1 1 100 100 HIS HB2 H 1 3.28 0.02 . 2 . . . . . . . . 4830 1 716 . 1 1 100 100 HIS HB3 H 1 3.21 0.02 . 2 . . . . . . . . 4830 1 717 . 1 1 100 100 HIS HD2 H 1 7.28 0.02 . 1 . . . . . . . . 4830 1 718 . 1 1 100 100 HIS HE1 H 1 8.60 0.02 . 1 . . . . . . . . 4830 1 719 . 1 1 100 100 HIS N N 15 117.66 0.05 . 1 . . . . . . . . 4830 1 720 . 1 1 101 101 THR H H 1 8.29 0.02 . 1 . . . . . . . . 4830 1 721 . 1 1 101 101 THR HA H 1 4.27 0.02 . 1 . . . . . . . . 4830 1 722 . 1 1 101 101 THR HB H 1 4.13 0.02 . 1 . . . . . . . . 4830 1 723 . 1 1 101 101 THR HG21 H 1 1.15 0.02 . 1 . . . . . . . . 4830 1 724 . 1 1 101 101 THR HG22 H 1 1.15 0.02 . 1 . . . . . . . . 4830 1 725 . 1 1 101 101 THR HG23 H 1 1.15 0.02 . 1 . . . . . . . . 4830 1 726 . 1 1 101 101 THR N N 15 116.66 0.05 . 1 . . . . . . . . 4830 1 727 . 1 1 102 102 VAL H H 1 8.37 0.02 . 1 . . . . . . . . 4830 1 728 . 1 1 102 102 VAL HA H 1 4.13 0.02 . 1 . . . . . . . . 4830 1 729 . 1 1 102 102 VAL HB H 1 2.13 0.02 . 1 . . . . . . . . 4830 1 730 . 1 1 102 102 VAL HG11 H 1 0.94 0.02 . 1 . . . . . . . . 4830 1 731 . 1 1 102 102 VAL HG12 H 1 0.94 0.02 . 1 . . . . . . . . 4830 1 732 . 1 1 102 102 VAL HG13 H 1 0.94 0.02 . 1 . . . . . . . . 4830 1 733 . 1 1 102 102 VAL HG21 H 1 0.94 0.02 . 1 . . . . . . . . 4830 1 734 . 1 1 102 102 VAL HG22 H 1 0.94 0.02 . 1 . . . . . . . . 4830 1 735 . 1 1 102 102 VAL HG23 H 1 0.94 0.02 . 1 . . . . . . . . 4830 1 736 . 1 1 102 102 VAL N N 15 124.37 0.05 . 1 . . . . . . . . 4830 1 737 . 1 1 103 103 LEU H H 1 8.39 0.02 . 1 . . . . . . . . 4830 1 738 . 1 1 103 103 LEU HA H 1 4.61 0.02 . 1 . . . . . . . . 4830 1 739 . 1 1 103 103 LEU HB2 H 1 1.82 0.02 . 2 . . . . . . . . 4830 1 740 . 1 1 103 103 LEU HB3 H 1 1.22 0.02 . 2 . . . . . . . . 4830 1 741 . 1 1 103 103 LEU HG H 1 1.60 0.02 . 1 . . . . . . . . 4830 1 742 . 1 1 103 103 LEU HD11 H 1 0.87 0.02 . 2 . . . . . . . . 4830 1 743 . 1 1 103 103 LEU HD12 H 1 0.87 0.02 . 2 . . . . . . . . 4830 1 744 . 1 1 103 103 LEU HD13 H 1 0.87 0.02 . 2 . . . . . . . . 4830 1 745 . 1 1 103 103 LEU HD21 H 1 0.78 0.02 . 2 . . . . . . . . 4830 1 746 . 1 1 103 103 LEU HD22 H 1 0.78 0.02 . 2 . . . . . . . . 4830 1 747 . 1 1 103 103 LEU HD23 H 1 0.78 0.02 . 2 . . . . . . . . 4830 1 748 . 1 1 103 103 LEU N N 15 127.77 0.05 . 1 . . . . . . . . 4830 1 749 . 1 1 104 104 VAL H H 1 9.06 0.02 . 1 . . . . . . . . 4830 1 750 . 1 1 104 104 VAL HA H 1 4.12 0.02 . 1 . . . . . . . . 4830 1 751 . 1 1 104 104 VAL HB H 1 1.75 0.02 . 1 . . . . . . . . 4830 1 752 . 1 1 104 104 VAL HG11 H 1 1.05 0.02 . 2 . . . . . . . . 4830 1 753 . 1 1 104 104 VAL HG12 H 1 1.05 0.02 . 2 . . . . . . . . 4830 1 754 . 1 1 104 104 VAL HG13 H 1 1.05 0.02 . 2 . . . . . . . . 4830 1 755 . 1 1 104 104 VAL HG21 H 1 0.89 0.02 . 2 . . . . . . . . 4830 1 756 . 1 1 104 104 VAL HG22 H 1 0.89 0.02 . 2 . . . . . . . . 4830 1 757 . 1 1 104 104 VAL HG23 H 1 0.89 0.02 . 2 . . . . . . . . 4830 1 758 . 1 1 104 104 VAL N N 15 125.82 0.05 . 1 . . . . . . . . 4830 1 759 . 1 1 105 105 GLN H H 1 8.71 0.02 . 1 . . . . . . . . 4830 1 760 . 1 1 105 105 GLN HA H 1 4.09 0.02 . 1 . . . . . . . . 4830 1 761 . 1 1 105 105 GLN HB2 H 1 2.15 0.02 . 2 . . . . . . . . 4830 1 762 . 1 1 105 105 GLN HB3 H 1 1.86 0.02 . 2 . . . . . . . . 4830 1 763 . 1 1 105 105 GLN HG2 H 1 2.35 0.02 . 1 . . . . . . . . 4830 1 764 . 1 1 105 105 GLN HG3 H 1 2.35 0.02 . 1 . . . . . . . . 4830 1 765 . 1 1 105 105 GLN N N 15 126.98 0.05 . 1 . . . . . . . . 4830 1 766 . 1 1 106 106 THR H H 1 7.06 0.02 . 1 . . . . . . . . 4830 1 767 . 1 1 106 106 THR HA H 1 4.85 0.02 . 1 . . . . . . . . 4830 1 768 . 1 1 106 106 THR HB H 1 3.94 0.02 . 1 . . . . . . . . 4830 1 769 . 1 1 106 106 THR HG21 H 1 0.96 0.02 . 1 . . . . . . . . 4830 1 770 . 1 1 106 106 THR HG22 H 1 0.96 0.02 . 1 . . . . . . . . 4830 1 771 . 1 1 106 106 THR HG23 H 1 0.96 0.02 . 1 . . . . . . . . 4830 1 772 . 1 1 106 106 THR N N 15 113.25 0.05 . 1 . . . . . . . . 4830 1 773 . 1 1 107 107 ARG H H 1 8.61 0.02 . 1 . . . . . . . . 4830 1 774 . 1 1 107 107 ARG HA H 1 4.73 0.02 . 1 . . . . . . . . 4830 1 775 . 1 1 107 107 ARG HB2 H 1 1.82 0.02 . 2 . . . . . . . . 4830 1 776 . 1 1 107 107 ARG HB3 H 1 1.74 0.02 . 2 . . . . . . . . 4830 1 777 . 1 1 107 107 ARG HG2 H 1 1.62 0.02 . 1 . . . . . . . . 4830 1 778 . 1 1 107 107 ARG HG3 H 1 1.62 0.02 . 1 . . . . . . . . 4830 1 779 . 1 1 107 107 ARG HD2 H 1 3.18 0.02 . 1 . . . . . . . . 4830 1 780 . 1 1 107 107 ARG HD3 H 1 3.18 0.02 . 1 . . . . . . . . 4830 1 781 . 1 1 107 107 ARG N N 15 115.38 0.05 . 1 . . . . . . . . 4830 1 782 . 1 1 108 108 GLY H H 1 8.81 0.02 . 1 . . . . . . . . 4830 1 783 . 1 1 108 108 GLY HA2 H 1 4.22 0.02 . 2 . . . . . . . . 4830 1 784 . 1 1 108 108 GLY HA3 H 1 3.85 0.02 . 2 . . . . . . . . 4830 1 785 . 1 1 108 108 GLY N N 15 108.26 0.05 . 1 . . . . . . . . 4830 1 786 . 1 1 109 109 GLY H H 1 8.81 0.02 . 1 . . . . . . . . 4830 1 787 . 1 1 109 109 GLY HA2 H 1 3.24 0.02 . 2 . . . . . . . . 4830 1 788 . 1 1 109 109 GLY HA3 H 1 2.85 0.02 . 2 . . . . . . . . 4830 1 789 . 1 1 109 109 GLY N N 15 108.94 0.05 . 1 . . . . . . . . 4830 1 790 . 1 1 110 110 ASN H H 1 7.24 0.02 . 1 . . . . . . . . 4830 1 791 . 1 1 110 110 ASN HA H 1 5.00 0.02 . 1 . . . . . . . . 4830 1 792 . 1 1 110 110 ASN HB2 H 1 3.30 0.02 . 2 . . . . . . . . 4830 1 793 . 1 1 110 110 ASN HB3 H 1 2.64 0.02 . 2 . . . . . . . . 4830 1 794 . 1 1 110 110 ASN N N 15 120.18 0.05 . 1 . . . . . . . . 4830 1 795 . 1 1 111 111 SER H H 1 6.64 0.02 . 1 . . . . . . . . 4830 1 796 . 1 1 111 111 SER HA H 1 4.79 0.02 . 1 . . . . . . . . 4830 1 797 . 1 1 111 111 SER HB2 H 1 3.96 0.02 . 2 . . . . . . . . 4830 1 798 . 1 1 111 111 SER HB3 H 1 3.66 0.02 . 2 . . . . . . . . 4830 1 799 . 1 1 111 111 SER N N 15 108.14 0.05 . 1 . . . . . . . . 4830 1 800 . 1 1 112 112 ASN H H 1 8.94 0.02 . 1 . . . . . . . . 4830 1 801 . 1 1 112 112 ASN HA H 1 4.20 0.02 . 1 . . . . . . . . 4830 1 802 . 1 1 112 112 ASN HB2 H 1 2.57 0.02 . 2 . . . . . . . . 4830 1 803 . 1 1 112 112 ASN HB3 H 1 2.31 0.02 . 2 . . . . . . . . 4830 1 804 . 1 1 112 112 ASN HD21 H 1 7.30 0.02 . 2 . . . . . . . . 4830 1 805 . 1 1 112 112 ASN HD22 H 1 6.71 0.02 . 2 . . . . . . . . 4830 1 806 . 1 1 112 112 ASN N N 15 116.45 0.05 . 1 . . . . . . . . 4830 1 807 . 1 1 112 112 ASN ND2 N 15 114.81 0.05 . 1 . . . . . . . . 4830 1 808 . 1 1 113 113 GLY H H 1 9.64 0.02 . 1 . . . . . . . . 4830 1 809 . 1 1 113 113 GLY HA2 H 1 4.05 0.02 . 1 . . . . . . . . 4830 1 810 . 1 1 113 113 GLY HA3 H 1 4.05 0.02 . 1 . . . . . . . . 4830 1 811 . 1 1 113 113 GLY N N 15 107.82 0.05 . 1 . . . . . . . . 4830 1 812 . 1 1 114 114 ALA H H 1 7.34 0.02 . 1 . . . . . . . . 4830 1 813 . 1 1 114 114 ALA HA H 1 4.59 0.02 . 1 . . . . . . . . 4830 1 814 . 1 1 114 114 ALA HB1 H 1 1.91 0.02 . 1 . . . . . . . . 4830 1 815 . 1 1 114 114 ALA HB2 H 1 1.91 0.02 . 1 . . . . . . . . 4830 1 816 . 1 1 114 114 ALA HB3 H 1 1.91 0.02 . 1 . . . . . . . . 4830 1 817 . 1 1 114 114 ALA N N 15 119.40 0.05 . 1 . . . . . . . . 4830 1 818 . 1 1 115 115 LEU H H 1 8.92 0.02 . 1 . . . . . . . . 4830 1 819 . 1 1 115 115 LEU HA H 1 4.83 0.02 . 1 . . . . . . . . 4830 1 820 . 1 1 115 115 LEU HB2 H 1 1.57 0.02 . 2 . . . . . . . . 4830 1 821 . 1 1 115 115 LEU HB3 H 1 1.43 0.02 . 2 . . . . . . . . 4830 1 822 . 1 1 115 115 LEU HG H 1 1.64 0.02 . 1 . . . . . . . . 4830 1 823 . 1 1 115 115 LEU HD11 H 1 0.73 0.02 . 1 . . . . . . . . 4830 1 824 . 1 1 115 115 LEU HD12 H 1 0.73 0.02 . 1 . . . . . . . . 4830 1 825 . 1 1 115 115 LEU HD13 H 1 0.73 0.02 . 1 . . . . . . . . 4830 1 826 . 1 1 115 115 LEU HD21 H 1 0.73 0.02 . 1 . . . . . . . . 4830 1 827 . 1 1 115 115 LEU HD22 H 1 0.73 0.02 . 1 . . . . . . . . 4830 1 828 . 1 1 115 115 LEU HD23 H 1 0.73 0.02 . 1 . . . . . . . . 4830 1 829 . 1 1 115 115 LEU N N 15 119.04 0.05 . 1 . . . . . . . . 4830 1 830 . 1 1 116 116 CYS H H 1 8.48 0.02 . 1 . . . . . . . . 4830 1 831 . 1 1 116 116 CYS HA H 1 4.09 0.02 . 1 . . . . . . . . 4830 1 832 . 1 1 116 116 CYS HB2 H 1 1.91 0.02 . 2 . . . . . . . . 4830 1 833 . 1 1 116 116 CYS HB3 H 1 1.54 0.02 . 2 . . . . . . . . 4830 1 834 . 1 1 116 116 CYS N N 15 116.34 0.05 . 1 . . . . . . . . 4830 1 835 . 1 1 117 117 HIS H H 1 8.70 0.02 . 1 . . . . . . . . 4830 1 836 . 1 1 117 117 HIS HA H 1 4.34 0.02 . 1 . . . . . . . . 4830 1 837 . 1 1 117 117 HIS HB2 H 1 2.89 0.02 . 2 . . . . . . . . 4830 1 838 . 1 1 117 117 HIS HB3 H 1 2.35 0.02 . 2 . . . . . . . . 4830 1 839 . 1 1 117 117 HIS HD2 H 1 7.57 0.02 . 1 . . . . . . . . 4830 1 840 . 1 1 117 117 HIS HE1 H 1 8.60 0.02 . 1 . . . . . . . . 4830 1 841 . 1 1 117 117 HIS N N 15 122.88 0.05 . 1 . . . . . . . . 4830 1 842 . 1 1 118 118 PHE H H 1 8.09 0.02 . 1 . . . . . . . . 4830 1 843 . 1 1 118 118 PHE HA H 1 5.64 0.02 . 1 . . . . . . . . 4830 1 844 . 1 1 118 118 PHE HB2 H 1 2.86 0.02 . 1 . . . . . . . . 4830 1 845 . 1 1 118 118 PHE HB3 H 1 2.86 0.02 . 1 . . . . . . . . 4830 1 846 . 1 1 118 118 PHE HD1 H 1 7.33 0.02 . 1 . . . . . . . . 4830 1 847 . 1 1 118 118 PHE HD2 H 1 7.33 0.02 . 1 . . . . . . . . 4830 1 848 . 1 1 118 118 PHE HE1 H 1 7.09 0.02 . 1 . . . . . . . . 4830 1 849 . 1 1 118 118 PHE HE2 H 1 7.09 0.02 . 1 . . . . . . . . 4830 1 850 . 1 1 118 118 PHE HZ H 1 7.46 0.02 . 1 . . . . . . . . 4830 1 851 . 1 1 118 118 PHE N N 15 121.89 0.05 . 1 . . . . . . . . 4830 1 852 . 1 1 119 119 PRO HA H 1 5.54 0.02 . 1 . . . . . . . . 4830 1 853 . 1 1 119 119 PRO HB2 H 1 2.04 0.02 . 1 . . . . . . . . 4830 1 854 . 1 1 119 119 PRO HB3 H 1 2.04 0.02 . 1 . . . . . . . . 4830 1 855 . 1 1 119 119 PRO HG2 H 1 1.88 0.02 . 2 . . . . . . . . 4830 1 856 . 1 1 119 119 PRO HG3 H 1 1.79 0.02 . 2 . . . . . . . . 4830 1 857 . 1 1 119 119 PRO HD2 H 1 3.73 0.02 . 2 . . . . . . . . 4830 1 858 . 1 1 119 119 PRO HD3 H 1 3.48 0.02 . 2 . . . . . . . . 4830 1 859 . 1 1 120 120 PHE H H 1 8.73 0.02 . 1 . . . . . . . . 4830 1 860 . 1 1 120 120 PHE HA H 1 5.94 0.02 . 1 . . . . . . . . 4830 1 861 . 1 1 120 120 PHE HB2 H 1 4.15 0.02 . 2 . . . . . . . . 4830 1 862 . 1 1 120 120 PHE HB3 H 1 3.16 0.02 . 2 . . . . . . . . 4830 1 863 . 1 1 120 120 PHE HD1 H 1 8.08 0.02 . 1 . . . . . . . . 4830 1 864 . 1 1 120 120 PHE HD2 H 1 7.09 0.02 . 1 . . . . . . . . 4830 1 865 . 1 1 120 120 PHE HE1 H 1 7.46 0.02 . 1 . . . . . . . . 4830 1 866 . 1 1 120 120 PHE HE2 H 1 6.43 0.02 . 1 . . . . . . . . 4830 1 867 . 1 1 120 120 PHE HZ H 1 6.54 0.02 . 1 . . . . . . . . 4830 1 868 . 1 1 120 120 PHE N N 15 115.39 0.05 . 1 . . . . . . . . 4830 1 869 . 1 1 121 121 LEU H H 1 8.81 0.02 . 1 . . . . . . . . 4830 1 870 . 1 1 121 121 LEU HA H 1 5.02 0.02 . 1 . . . . . . . . 4830 1 871 . 1 1 121 121 LEU HB2 H 1 2.22 0.02 . 2 . . . . . . . . 4830 1 872 . 1 1 121 121 LEU HB3 H 1 1.70 0.02 . 2 . . . . . . . . 4830 1 873 . 1 1 121 121 LEU HG H 1 1.48 0.02 . 1 . . . . . . . . 4830 1 874 . 1 1 121 121 LEU HD11 H 1 0.98 0.02 . 2 . . . . . . . . 4830 1 875 . 1 1 121 121 LEU HD12 H 1 0.98 0.02 . 2 . . . . . . . . 4830 1 876 . 1 1 121 121 LEU HD13 H 1 0.98 0.02 . 2 . . . . . . . . 4830 1 877 . 1 1 121 121 LEU HD21 H 1 0.66 0.02 . 2 . . . . . . . . 4830 1 878 . 1 1 121 121 LEU HD22 H 1 0.66 0.02 . 2 . . . . . . . . 4830 1 879 . 1 1 121 121 LEU HD23 H 1 0.66 0.02 . 2 . . . . . . . . 4830 1 880 . 1 1 121 121 LEU N N 15 124.27 0.05 . 1 . . . . . . . . 4830 1 881 . 1 1 122 122 TYR H H 1 9.52 0.02 . 1 . . . . . . . . 4830 1 882 . 1 1 122 122 TYR HA H 1 5.71 0.02 . 1 . . . . . . . . 4830 1 883 . 1 1 122 122 TYR HB2 H 1 3.40 0.02 . 2 . . . . . . . . 4830 1 884 . 1 1 122 122 TYR HB3 H 1 3.12 0.02 . 2 . . . . . . . . 4830 1 885 . 1 1 122 122 TYR HD1 H 1 7.24 0.02 . 1 . . . . . . . . 4830 1 886 . 1 1 122 122 TYR HD2 H 1 7.24 0.02 . 1 . . . . . . . . 4830 1 887 . 1 1 122 122 TYR HE1 H 1 6.86 0.02 . 1 . . . . . . . . 4830 1 888 . 1 1 122 122 TYR HE2 H 1 6.86 0.02 . 1 . . . . . . . . 4830 1 889 . 1 1 122 122 TYR N N 15 126.56 0.05 . 1 . . . . . . . . 4830 1 890 . 1 1 123 123 ASN H H 1 12.06 0.02 . 1 . . . . . . . . 4830 1 891 . 1 1 123 123 ASN HA H 1 4.23 0.02 . 1 . . . . . . . . 4830 1 892 . 1 1 123 123 ASN HB2 H 1 2.90 0.02 . 2 . . . . . . . . 4830 1 893 . 1 1 123 123 ASN HB3 H 1 2.08 0.02 . 2 . . . . . . . . 4830 1 894 . 1 1 123 123 ASN HD21 H 1 7.15 0.02 . 2 . . . . . . . . 4830 1 895 . 1 1 123 123 ASN HD22 H 1 6.47 0.02 . 2 . . . . . . . . 4830 1 896 . 1 1 123 123 ASN N N 15 135.85 0.05 . 1 . . . . . . . . 4830 1 897 . 1 1 123 123 ASN ND2 N 15 110.95 0.05 . 1 . . . . . . . . 4830 1 898 . 1 1 124 124 ASN H H 1 9.40 0.02 . 1 . . . . . . . . 4830 1 899 . 1 1 124 124 ASN HA H 1 4.11 0.02 . 1 . . . . . . . . 4830 1 900 . 1 1 124 124 ASN HB2 H 1 3.10 0.02 . 2 . . . . . . . . 4830 1 901 . 1 1 124 124 ASN HB3 H 1 2.62 0.02 . 2 . . . . . . . . 4830 1 902 . 1 1 124 124 ASN N N 15 110.44 0.05 . 1 . . . . . . . . 4830 1 903 . 1 1 125 125 HIS H H 1 7.97 0.02 . 1 . . . . . . . . 4830 1 904 . 1 1 125 125 HIS HA H 1 4.76 0.02 . 1 . . . . . . . . 4830 1 905 . 1 1 125 125 HIS HB2 H 1 3.20 0.02 . 2 . . . . . . . . 4830 1 906 . 1 1 125 125 HIS HB3 H 1 3.08 0.02 . 2 . . . . . . . . 4830 1 907 . 1 1 125 125 HIS HD2 H 1 6.31 0.02 . 1 . . . . . . . . 4830 1 908 . 1 1 125 125 HIS HE1 H 1 8.58 0.02 . 1 . . . . . . . . 4830 1 909 . 1 1 125 125 HIS N N 15 115.51 0.05 . 1 . . . . . . . . 4830 1 910 . 1 1 126 126 ASN H H 1 8.69 0.02 . 1 . . . . . . . . 4830 1 911 . 1 1 126 126 ASN HA H 1 5.23 0.02 . 1 . . . . . . . . 4830 1 912 . 1 1 126 126 ASN HB2 H 1 2.53 0.02 . 2 . . . . . . . . 4830 1 913 . 1 1 126 126 ASN HB3 H 1 2.14 0.02 . 2 . . . . . . . . 4830 1 914 . 1 1 126 126 ASN HD22 H 1 8.34 0.02 . 1 . . . . . . . . 4830 1 915 . 1 1 126 126 ASN N N 15 121.98 0.05 . 1 . . . . . . . . 4830 1 916 . 1 1 126 126 ASN ND2 N 15 133.59 0.05 . 1 . . . . . . . . 4830 1 917 . 1 1 127 127 TYR H H 1 9.25 0.02 . 1 . . . . . . . . 4830 1 918 . 1 1 127 127 TYR HA H 1 4.36 0.02 . 1 . . . . . . . . 4830 1 919 . 1 1 127 127 TYR HB2 H 1 2.59 0.02 . 2 . . . . . . . . 4830 1 920 . 1 1 127 127 TYR HB3 H 1 1.40 0.02 . 2 . . . . . . . . 4830 1 921 . 1 1 127 127 TYR HD1 H 1 7.25 0.02 . 1 . . . . . . . . 4830 1 922 . 1 1 127 127 TYR HD2 H 1 7.25 0.02 . 1 . . . . . . . . 4830 1 923 . 1 1 127 127 TYR HE1 H 1 7.19 0.02 . 1 . . . . . . . . 4830 1 924 . 1 1 127 127 TYR HE2 H 1 7.19 0.02 . 1 . . . . . . . . 4830 1 925 . 1 1 127 127 TYR N N 15 124.40 0.05 . 1 . . . . . . . . 4830 1 926 . 1 1 128 128 THR H H 1 8.60 0.02 . 1 . . . . . . . . 4830 1 927 . 1 1 128 128 THR HA H 1 4.20 0.02 . 1 . . . . . . . . 4830 1 928 . 1 1 128 128 THR HB H 1 4.36 0.02 . 1 . . . . . . . . 4830 1 929 . 1 1 128 128 THR HG21 H 1 0.99 0.02 . 1 . . . . . . . . 4830 1 930 . 1 1 128 128 THR HG22 H 1 0.99 0.02 . 1 . . . . . . . . 4830 1 931 . 1 1 128 128 THR HG23 H 1 0.99 0.02 . 1 . . . . . . . . 4830 1 932 . 1 1 128 128 THR N N 15 109.90 0.05 . 1 . . . . . . . . 4830 1 933 . 1 1 129 129 ASP H H 1 7.62 0.02 . 1 . . . . . . . . 4830 1 934 . 1 1 129 129 ASP HA H 1 3.96 0.02 . 1 . . . . . . . . 4830 1 935 . 1 1 129 129 ASP HB2 H 1 2.58 0.02 . 2 . . . . . . . . 4830 1 936 . 1 1 129 129 ASP HB3 H 1 2.44 0.02 . 2 . . . . . . . . 4830 1 937 . 1 1 129 129 ASP N N 15 117.96 0.05 . 1 . . . . . . . . 4830 1 938 . 1 1 130 130 CYS H H 1 9.19 0.02 . 1 . . . . . . . . 4830 1 939 . 1 1 130 130 CYS HA H 1 4.70 0.02 . 1 . . . . . . . . 4830 1 940 . 1 1 130 130 CYS HB2 H 1 3.64 0.02 . 2 . . . . . . . . 4830 1 941 . 1 1 130 130 CYS HB3 H 1 2.72 0.02 . 2 . . . . . . . . 4830 1 942 . 1 1 130 130 CYS N N 15 115.98 0.05 . 1 . . . . . . . . 4830 1 943 . 1 1 131 131 THR H H 1 8.94 0.02 . 1 . . . . . . . . 4830 1 944 . 1 1 131 131 THR HA H 1 4.89 0.02 . 1 . . . . . . . . 4830 1 945 . 1 1 131 131 THR HB H 1 3.87 0.02 . 1 . . . . . . . . 4830 1 946 . 1 1 131 131 THR HG21 H 1 0.07 0.02 . 1 . . . . . . . . 4830 1 947 . 1 1 131 131 THR HG22 H 1 0.07 0.02 . 1 . . . . . . . . 4830 1 948 . 1 1 131 131 THR HG23 H 1 0.07 0.02 . 1 . . . . . . . . 4830 1 949 . 1 1 131 131 THR N N 15 116.45 0.05 . 1 . . . . . . . . 4830 1 950 . 1 1 132 132 SER H H 1 8.76 0.02 . 1 . . . . . . . . 4830 1 951 . 1 1 132 132 SER HA H 1 5.23 0.02 . 1 . . . . . . . . 4830 1 952 . 1 1 132 132 SER HB2 H 1 4.11 0.02 . 2 . . . . . . . . 4830 1 953 . 1 1 132 132 SER HB3 H 1 3.63 0.02 . 2 . . . . . . . . 4830 1 954 . 1 1 132 132 SER N N 15 119.54 0.05 . 1 . . . . . . . . 4830 1 955 . 1 1 133 133 GLU H H 1 8.73 0.02 . 1 . . . . . . . . 4830 1 956 . 1 1 133 133 GLU HA H 1 4.22 0.02 . 1 . . . . . . . . 4830 1 957 . 1 1 133 133 GLU HB2 H 1 2.27 0.02 . 2 . . . . . . . . 4830 1 958 . 1 1 133 133 GLU HB3 H 1 2.19 0.02 . 2 . . . . . . . . 4830 1 959 . 1 1 133 133 GLU HG2 H 1 2.61 0.02 . 1 . . . . . . . . 4830 1 960 . 1 1 133 133 GLU HG3 H 1 2.61 0.02 . 1 . . . . . . . . 4830 1 961 . 1 1 133 133 GLU N N 15 124.75 0.05 . 1 . . . . . . . . 4830 1 962 . 1 1 134 134 GLY H H 1 8.91 0.02 . 1 . . . . . . . . 4830 1 963 . 1 1 134 134 GLY HA2 H 1 4.44 0.02 . 2 . . . . . . . . 4830 1 964 . 1 1 134 134 GLY HA3 H 1 3.80 0.02 . 2 . . . . . . . . 4830 1 965 . 1 1 134 134 GLY N N 15 109.49 0.05 . 1 . . . . . . . . 4830 1 966 . 1 1 135 135 ARG H H 1 7.87 0.02 . 1 . . . . . . . . 4830 1 967 . 1 1 135 135 ARG HA H 1 4.65 0.02 . 1 . . . . . . . . 4830 1 968 . 1 1 135 135 ARG HB2 H 1 2.18 0.02 . 2 . . . . . . . . 4830 1 969 . 1 1 135 135 ARG HB3 H 1 2.04 0.02 . 2 . . . . . . . . 4830 1 970 . 1 1 135 135 ARG HG2 H 1 1.58 0.02 . 2 . . . . . . . . 4830 1 971 . 1 1 135 135 ARG HG3 H 1 1.27 0.02 . 2 . . . . . . . . 4830 1 972 . 1 1 135 135 ARG HD2 H 1 3.36 0.02 . 2 . . . . . . . . 4830 1 973 . 1 1 135 135 ARG HD3 H 1 2.91 0.02 . 2 . . . . . . . . 4830 1 974 . 1 1 135 135 ARG N N 15 116.97 0.05 . 1 . . . . . . . . 4830 1 975 . 1 1 136 136 ARG H H 1 9.02 0.02 . 1 . . . . . . . . 4830 1 976 . 1 1 136 136 ARG HA H 1 4.53 0.02 . 1 . . . . . . . . 4830 1 977 . 1 1 136 136 ARG HB2 H 1 2.01 0.02 . 2 . . . . . . . . 4830 1 978 . 1 1 136 136 ARG HB3 H 1 1.73 0.02 . 2 . . . . . . . . 4830 1 979 . 1 1 136 136 ARG HG2 H 1 1.66 0.02 . 1 . . . . . . . . 4830 1 980 . 1 1 136 136 ARG HG3 H 1 1.66 0.02 . 1 . . . . . . . . 4830 1 981 . 1 1 136 136 ARG HD2 H 1 3.18 0.02 . 1 . . . . . . . . 4830 1 982 . 1 1 136 136 ARG HD3 H 1 3.18 0.02 . 1 . . . . . . . . 4830 1 983 . 1 1 136 136 ARG N N 15 121.41 0.05 . 1 . . . . . . . . 4830 1 984 . 1 1 137 137 ASP H H 1 7.78 0.02 . 1 . . . . . . . . 4830 1 985 . 1 1 137 137 ASP HA H 1 4.57 0.02 . 1 . . . . . . . . 4830 1 986 . 1 1 137 137 ASP HB2 H 1 3.07 0.02 . 2 . . . . . . . . 4830 1 987 . 1 1 137 137 ASP HB3 H 1 2.59 0.02 . 2 . . . . . . . . 4830 1 988 . 1 1 137 137 ASP N N 15 116.83 0.05 . 1 . . . . . . . . 4830 1 989 . 1 1 138 138 ASN H H 1 8.30 0.02 . 1 . . . . . . . . 4830 1 990 . 1 1 138 138 ASN HA H 1 4.53 0.02 . 1 . . . . . . . . 4830 1 991 . 1 1 138 138 ASN HB2 H 1 3.06 0.02 . 2 . . . . . . . . 4830 1 992 . 1 1 138 138 ASN HB3 H 1 2.89 0.02 . 2 . . . . . . . . 4830 1 993 . 1 1 138 138 ASN N N 15 112.64 0.05 . 1 . . . . . . . . 4830 1 994 . 1 1 139 139 MET H H 1 7.88 0.02 . 1 . . . . . . . . 4830 1 995 . 1 1 139 139 MET HA H 1 4.46 0.02 . 1 . . . . . . . . 4830 1 996 . 1 1 139 139 MET HB2 H 1 2.05 0.02 . 2 . . . . . . . . 4830 1 997 . 1 1 139 139 MET HB3 H 1 1.90 0.02 . 2 . . . . . . . . 4830 1 998 . 1 1 139 139 MET HG2 H 1 2.40 0.02 . 2 . . . . . . . . 4830 1 999 . 1 1 139 139 MET HG3 H 1 2.29 0.02 . 2 . . . . . . . . 4830 1 1000 . 1 1 139 139 MET HE1 H 1 1.68 0.02 . 1 . . . . . . . . 4830 1 1001 . 1 1 139 139 MET HE2 H 1 1.68 0.02 . 1 . . . . . . . . 4830 1 1002 . 1 1 139 139 MET HE3 H 1 1.68 0.02 . 1 . . . . . . . . 4830 1 1003 . 1 1 139 139 MET N N 15 118.91 0.05 . 1 . . . . . . . . 4830 1 1004 . 1 1 140 140 LYS H H 1 8.23 0.02 . 1 . . . . . . . . 4830 1 1005 . 1 1 140 140 LYS HA H 1 4.66 0.02 . 1 . . . . . . . . 4830 1 1006 . 1 1 140 140 LYS HB2 H 1 2.01 0.02 . 2 . . . . . . . . 4830 1 1007 . 1 1 140 140 LYS HB3 H 1 1.68 0.02 . 2 . . . . . . . . 4830 1 1008 . 1 1 140 140 LYS HG2 H 1 1.45 0.02 . 2 . . . . . . . . 4830 1 1009 . 1 1 140 140 LYS HG3 H 1 1.31 0.02 . 2 . . . . . . . . 4830 1 1010 . 1 1 140 140 LYS HD2 H 1 1.55 0.02 . 1 . . . . . . . . 4830 1 1011 . 1 1 140 140 LYS HD3 H 1 1.55 0.02 . 1 . . . . . . . . 4830 1 1012 . 1 1 140 140 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 4830 1 1013 . 1 1 140 140 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 4830 1 1014 . 1 1 140 140 LYS N N 15 119.75 0.05 . 1 . . . . . . . . 4830 1 1015 . 1 1 141 141 TRP H H 1 9.79 0.02 . 1 . . . . . . . . 4830 1 1016 . 1 1 141 141 TRP HA H 1 5.57 0.02 . 1 . . . . . . . . 4830 1 1017 . 1 1 141 141 TRP HB2 H 1 3.26 0.02 . 2 . . . . . . . . 4830 1 1018 . 1 1 141 141 TRP HB3 H 1 2.85 0.02 . 2 . . . . . . . . 4830 1 1019 . 1 1 141 141 TRP HD1 H 1 7.42 0.02 . 1 . . . . . . . . 4830 1 1020 . 1 1 141 141 TRP HE1 H 1 9.95 0.02 . 1 . . . . . . . . 4830 1 1021 . 1 1 141 141 TRP HE3 H 1 6.64 0.02 . 1 . . . . . . . . 4830 1 1022 . 1 1 141 141 TRP HZ2 H 1 6.20 0.02 . 1 . . . . . . . . 4830 1 1023 . 1 1 141 141 TRP HZ3 H 1 5.16 0.02 . 1 . . . . . . . . 4830 1 1024 . 1 1 141 141 TRP HH2 H 1 5.26 0.02 . 1 . . . . . . . . 4830 1 1025 . 1 1 141 141 TRP N N 15 122.68 0.05 . 1 . . . . . . . . 4830 1 1026 . 1 1 141 141 TRP NE1 N 15 129.04 0.05 . 1 . . . . . . . . 4830 1 1027 . 1 1 142 142 CYS H H 1 8.86 0.02 . 1 . . . . . . . . 4830 1 1028 . 1 1 142 142 CYS HA H 1 4.19 0.02 . 1 . . . . . . . . 4830 1 1029 . 1 1 142 142 CYS HB2 H 1 3.07 0.02 . 2 . . . . . . . . 4830 1 1030 . 1 1 142 142 CYS HB3 H 1 2.99 0.02 . 2 . . . . . . . . 4830 1 1031 . 1 1 142 142 CYS N N 15 110.41 0.05 . 1 . . . . . . . . 4830 1 1032 . 1 1 143 143 GLY H H 1 3.64 0.02 . 1 . . . . . . . . 4830 1 1033 . 1 1 143 143 GLY HA2 H 1 4.71 0.02 . 2 . . . . . . . . 4830 1 1034 . 1 1 143 143 GLY HA3 H 1 3.15 0.02 . 2 . . . . . . . . 4830 1 1035 . 1 1 143 143 GLY N N 15 104.42 0.05 . 1 . . . . . . . . 4830 1 1036 . 1 1 144 144 THR H H 1 8.12 0.02 . 1 . . . . . . . . 4830 1 1037 . 1 1 144 144 THR HA H 1 4.45 0.02 . 1 . . . . . . . . 4830 1 1038 . 1 1 144 144 THR HB H 1 4.45 0.02 . 1 . . . . . . . . 4830 1 1039 . 1 1 144 144 THR HG21 H 1 0.89 0.02 . 1 . . . . . . . . 4830 1 1040 . 1 1 144 144 THR HG22 H 1 0.89 0.02 . 1 . . . . . . . . 4830 1 1041 . 1 1 144 144 THR HG23 H 1 0.89 0.02 . 1 . . . . . . . . 4830 1 1042 . 1 1 144 144 THR N N 15 110.23 0.05 . 1 . . . . . . . . 4830 1 1043 . 1 1 145 145 THR H H 1 7.80 0.02 . 1 . . . . . . . . 4830 1 1044 . 1 1 145 145 THR HA H 1 4.19 0.02 . 1 . . . . . . . . 4830 1 1045 . 1 1 145 145 THR HB H 1 4.37 0.02 . 1 . . . . . . . . 4830 1 1046 . 1 1 145 145 THR HG21 H 1 1.00 0.02 . 1 . . . . . . . . 4830 1 1047 . 1 1 145 145 THR HG22 H 1 1.00 0.02 . 1 . . . . . . . . 4830 1 1048 . 1 1 145 145 THR HG23 H 1 1.00 0.02 . 1 . . . . . . . . 4830 1 1049 . 1 1 145 145 THR N N 15 110.54 0.05 . 1 . . . . . . . . 4830 1 1050 . 1 1 146 146 GLN H H 1 8.08 0.02 . 1 . . . . . . . . 4830 1 1051 . 1 1 146 146 GLN HA H 1 4.18 0.02 . 1 . . . . . . . . 4830 1 1052 . 1 1 146 146 GLN HB2 H 1 1.89 0.02 . 2 . . . . . . . . 4830 1 1053 . 1 1 146 146 GLN HB3 H 1 1.78 0.02 . 2 . . . . . . . . 4830 1 1054 . 1 1 146 146 GLN HG2 H 1 2.44 0.02 . 2 . . . . . . . . 4830 1 1055 . 1 1 146 146 GLN HG3 H 1 2.37 0.02 . 2 . . . . . . . . 4830 1 1056 . 1 1 146 146 GLN N N 15 112.83 0.05 . 1 . . . . . . . . 4830 1 1057 . 1 1 147 147 ASN H H 1 8.19 0.02 . 1 . . . . . . . . 4830 1 1058 . 1 1 147 147 ASN HA H 1 5.23 0.02 . 1 . . . . . . . . 4830 1 1059 . 1 1 147 147 ASN HB2 H 1 3.27 0.02 . 2 . . . . . . . . 4830 1 1060 . 1 1 147 147 ASN HB3 H 1 2.56 0.02 . 2 . . . . . . . . 4830 1 1061 . 1 1 147 147 ASN N N 15 117.95 0.05 . 1 . . . . . . . . 4830 1 1062 . 1 1 148 148 TYR H H 1 8.50 0.02 . 1 . . . . . . . . 4830 1 1063 . 1 1 148 148 TYR HA H 1 5.33 0.02 . 1 . . . . . . . . 4830 1 1064 . 1 1 148 148 TYR HB2 H 1 3.86 0.02 . 2 . . . . . . . . 4830 1 1065 . 1 1 148 148 TYR HB3 H 1 3.27 0.02 . 2 . . . . . . . . 4830 1 1066 . 1 1 148 148 TYR HD1 H 1 7.41 0.02 . 1 . . . . . . . . 4830 1 1067 . 1 1 148 148 TYR HD2 H 1 7.41 0.02 . 1 . . . . . . . . 4830 1 1068 . 1 1 148 148 TYR HE1 H 1 6.45 0.02 . 1 . . . . . . . . 4830 1 1069 . 1 1 148 148 TYR HE2 H 1 6.45 0.02 . 1 . . . . . . . . 4830 1 1070 . 1 1 148 148 TYR N N 15 126.25 0.05 . 1 . . . . . . . . 4830 1 1071 . 1 1 149 149 ASP H H 1 8.03 0.02 . 1 . . . . . . . . 4830 1 1072 . 1 1 149 149 ASP HA H 1 4.34 0.02 . 1 . . . . . . . . 4830 1 1073 . 1 1 149 149 ASP HB2 H 1 3.06 0.02 . 2 . . . . . . . . 4830 1 1074 . 1 1 149 149 ASP HB3 H 1 2.70 0.02 . 2 . . . . . . . . 4830 1 1075 . 1 1 149 149 ASP N N 15 122.44 0.05 . 1 . . . . . . . . 4830 1 1076 . 1 1 150 150 ALA H H 1 7.48 0.02 . 1 . . . . . . . . 4830 1 1077 . 1 1 150 150 ALA HA H 1 4.26 0.02 . 1 . . . . . . . . 4830 1 1078 . 1 1 150 150 ALA HB1 H 1 1.29 0.02 . 1 . . . . . . . . 4830 1 1079 . 1 1 150 150 ALA HB2 H 1 1.29 0.02 . 1 . . . . . . . . 4830 1 1080 . 1 1 150 150 ALA HB3 H 1 1.29 0.02 . 1 . . . . . . . . 4830 1 1081 . 1 1 150 150 ALA N N 15 118.10 0.05 . 1 . . . . . . . . 4830 1 1082 . 1 1 151 151 ASP H H 1 8.32 0.02 . 1 . . . . . . . . 4830 1 1083 . 1 1 151 151 ASP HA H 1 4.46 0.02 . 1 . . . . . . . . 4830 1 1084 . 1 1 151 151 ASP HB2 H 1 2.87 0.02 . 2 . . . . . . . . 4830 1 1085 . 1 1 151 151 ASP HB3 H 1 2.51 0.02 . 2 . . . . . . . . 4830 1 1086 . 1 1 151 151 ASP N N 15 116.54 0.05 . 1 . . . . . . . . 4830 1 1087 . 1 1 152 152 GLN H H 1 9.23 0.02 . 1 . . . . . . . . 4830 1 1088 . 1 1 152 152 GLN HA H 1 2.87 0.02 . 1 . . . . . . . . 4830 1 1089 . 1 1 152 152 GLN HB2 H 1 2.11 0.02 . 2 . . . . . . . . 4830 1 1090 . 1 1 152 152 GLN HB3 H 1 2.01 0.02 . 2 . . . . . . . . 4830 1 1091 . 1 1 152 152 GLN HG2 H 1 1.83 0.02 . 1 . . . . . . . . 4830 1 1092 . 1 1 152 152 GLN HG3 H 1 1.83 0.02 . 1 . . . . . . . . 4830 1 1093 . 1 1 152 152 GLN HE21 H 1 7.13 0.02 . 2 . . . . . . . . 4830 1 1094 . 1 1 152 152 GLN HE22 H 1 6.56 0.02 . 2 . . . . . . . . 4830 1 1095 . 1 1 152 152 GLN N N 15 114.30 0.05 . 1 . . . . . . . . 4830 1 1096 . 1 1 152 152 GLN NE2 N 15 114.19 0.05 . 1 . . . . . . . . 4830 1 1097 . 1 1 153 153 LYS H H 1 7.98 0.02 . 1 . . . . . . . . 4830 1 1098 . 1 1 153 153 LYS HA H 1 5.18 0.02 . 1 . . . . . . . . 4830 1 1099 . 1 1 153 153 LYS HB2 H 1 1.88 0.02 . 1 . . . . . . . . 4830 1 1100 . 1 1 153 153 LYS HB3 H 1 1.88 0.02 . 1 . . . . . . . . 4830 1 1101 . 1 1 153 153 LYS HG2 H 1 1.23 0.02 . 1 . . . . . . . . 4830 1 1102 . 1 1 153 153 LYS HG3 H 1 1.23 0.02 . 1 . . . . . . . . 4830 1 1103 . 1 1 153 153 LYS HD2 H 1 1.53 0.02 . 2 . . . . . . . . 4830 1 1104 . 1 1 153 153 LYS HD3 H 1 1.40 0.02 . 2 . . . . . . . . 4830 1 1105 . 1 1 153 153 LYS HE2 H 1 2.86 0.02 . 1 . . . . . . . . 4830 1 1106 . 1 1 153 153 LYS HE3 H 1 2.86 0.02 . 1 . . . . . . . . 4830 1 1107 . 1 1 153 153 LYS N N 15 116.98 0.05 . 1 . . . . . . . . 4830 1 1108 . 1 1 154 154 PHE H H 1 9.91 0.02 . 1 . . . . . . . . 4830 1 1109 . 1 1 154 154 PHE HA H 1 5.70 0.02 . 1 . . . . . . . . 4830 1 1110 . 1 1 154 154 PHE HB2 H 1 3.07 0.02 . 2 . . . . . . . . 4830 1 1111 . 1 1 154 154 PHE HB3 H 1 2.99 0.02 . 2 . . . . . . . . 4830 1 1112 . 1 1 154 154 PHE HD1 H 1 6.70 0.02 . 1 . . . . . . . . 4830 1 1113 . 1 1 154 154 PHE HD2 H 1 6.70 0.02 . 1 . . . . . . . . 4830 1 1114 . 1 1 154 154 PHE HE1 H 1 6.79 0.02 . 1 . . . . . . . . 4830 1 1115 . 1 1 154 154 PHE HE2 H 1 6.79 0.02 . 1 . . . . . . . . 4830 1 1116 . 1 1 154 154 PHE HZ H 1 7.14 0.02 . 1 . . . . . . . . 4830 1 1117 . 1 1 154 154 PHE N N 15 123.67 0.05 . 1 . . . . . . . . 4830 1 1118 . 1 1 155 155 GLY H H 1 8.33 0.02 . 1 . . . . . . . . 4830 1 1119 . 1 1 155 155 GLY HA2 H 1 3.72 0.02 . 2 . . . . . . . . 4830 1 1120 . 1 1 155 155 GLY HA3 H 1 3.43 0.02 . 2 . . . . . . . . 4830 1 1121 . 1 1 155 155 GLY N N 15 106.04 0.05 . 1 . . . . . . . . 4830 1 1122 . 1 1 156 156 PHE H H 1 8.67 0.02 . 1 . . . . . . . . 4830 1 1123 . 1 1 156 156 PHE HA H 1 5.20 0.02 . 1 . . . . . . . . 4830 1 1124 . 1 1 156 156 PHE HB2 H 1 3.35 0.02 . 2 . . . . . . . . 4830 1 1125 . 1 1 156 156 PHE HB3 H 1 3.09 0.02 . 2 . . . . . . . . 4830 1 1126 . 1 1 156 156 PHE HD1 H 1 7.50 0.02 . 1 . . . . . . . . 4830 1 1127 . 1 1 156 156 PHE HD2 H 1 7.50 0.02 . 1 . . . . . . . . 4830 1 1128 . 1 1 156 156 PHE HE1 H 1 7.32 0.02 . 1 . . . . . . . . 4830 1 1129 . 1 1 156 156 PHE HE2 H 1 7.32 0.02 . 1 . . . . . . . . 4830 1 1130 . 1 1 156 156 PHE HZ H 1 7.40 0.02 . 1 . . . . . . . . 4830 1 1131 . 1 1 156 156 PHE N N 15 116.60 0.05 . 1 . . . . . . . . 4830 1 1132 . 1 1 157 157 CYS H H 1 8.79 0.02 . 1 . . . . . . . . 4830 1 1133 . 1 1 157 157 CYS HA H 1 4.68 0.02 . 1 . . . . . . . . 4830 1 1134 . 1 1 157 157 CYS HB2 H 1 3.27 0.02 . 2 . . . . . . . . 4830 1 1135 . 1 1 157 157 CYS HB3 H 1 3.13 0.02 . 2 . . . . . . . . 4830 1 1136 . 1 1 157 157 CYS N N 15 120.34 0.05 . 1 . . . . . . . . 4830 1 1137 . 1 1 158 158 PRO HA H 1 4.44 0.02 . 1 . . . . . . . . 4830 1 1138 . 1 1 158 158 PRO HB2 H 1 2.31 0.02 . 2 . . . . . . . . 4830 1 1139 . 1 1 158 158 PRO HB3 H 1 1.98 0.02 . 2 . . . . . . . . 4830 1 1140 . 1 1 158 158 PRO HG2 H 1 2.19 0.02 . 2 . . . . . . . . 4830 1 1141 . 1 1 158 158 PRO HG3 H 1 2.11 0.02 . 2 . . . . . . . . 4830 1 1142 . 1 1 158 158 PRO HD2 H 1 3.92 0.02 . 2 . . . . . . . . 4830 1 1143 . 1 1 158 158 PRO HD3 H 1 3.58 0.02 . 2 . . . . . . . . 4830 1 1144 . 1 1 159 159 MET H H 1 8.54 0.02 . 1 . . . . . . . . 4830 1 1145 . 1 1 159 159 MET HA H 1 4.53 0.02 . 1 . . . . . . . . 4830 1 1146 . 1 1 159 159 MET HB2 H 1 2.19 0.02 . 2 . . . . . . . . 4830 1 1147 . 1 1 159 159 MET HB3 H 1 1.99 0.02 . 2 . . . . . . . . 4830 1 1148 . 1 1 159 159 MET HG2 H 1 2.68 0.02 . 2 . . . . . . . . 4830 1 1149 . 1 1 159 159 MET HG3 H 1 2.60 0.02 . 2 . . . . . . . . 4830 1 1150 . 1 1 159 159 MET HE1 H 1 2.16 0.02 . 1 . . . . . . . . 4830 1 1151 . 1 1 159 159 MET HE2 H 1 2.16 0.02 . 1 . . . . . . . . 4830 1 1152 . 1 1 159 159 MET HE3 H 1 2.16 0.02 . 1 . . . . . . . . 4830 1 1153 . 1 1 159 159 MET N N 15 121.39 0.05 . 1 . . . . . . . . 4830 1 1154 . 1 1 160 160 ALA H H 1 8.01 0.02 . 1 . . . . . . . . 4830 1 1155 . 1 1 160 160 ALA HA H 1 4.17 0.02 . 1 . . . . . . . . 4830 1 1156 . 1 1 160 160 ALA HB1 H 1 1.35 0.02 . 1 . . . . . . . . 4830 1 1157 . 1 1 160 160 ALA HB2 H 1 1.35 0.02 . 1 . . . . . . . . 4830 1 1158 . 1 1 160 160 ALA HB3 H 1 1.35 0.02 . 1 . . . . . . . . 4830 1 1159 . 1 1 160 160 ALA N N 15 129.67 0.05 . 1 . . . . . . . . 4830 1 stop_ save_