data_34918 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34918 _Entry.Title ; SOLUTION STRUCTURE OF 6XHIS-TAGGED WILD-TYPE GAUSSIA LUCIFERASE ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-06-04 _Entry.Accession_date 2024-06-04 _Entry.Last_release_date 2024-07-10 _Entry.Original_release_date 2024-07-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 F. Dijkema F. M. . . 34918 2 A. Prestel A. . . . 34918 3 J. Winther J. R. . . 34918 4 K. Teilum K. . . . 34918 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'COELENTERAZINE OXIDATION' . 34918 LUCIFERASE . 34918 LUMINESCENCE . 34918 LUMINESCENT . 34918 'LUMINESCENT PROTEIN' . 34918 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34918 spectral_peak_list 1 34918 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 488 34918 '15N chemical shifts' 129 34918 '1H chemical shifts' 696 34918 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 . . 2024-07-12 . original BMRB . 34918 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9FLA 'BMRB Entry Tracking System' 34918 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34918 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A suicidal and extensively disordered luciferase with a bright luminescence ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Dijkema F. M. . . 34918 1 2 M. Escarpizo-Lorenzanam M. I. . . 34918 1 3 M. Nordentoft M. K. . . 34918 1 4 H. Rabe H. C. . . 34918 1 5 C. Sahin C. . . . 34918 1 6 M. Landreh M. . . . 34918 1 7 R. Branca R. M. . . 34918 1 8 E. Sorensen E. S. . . 34918 1 9 B. Christensen B. . . . 34918 1 10 A. Prestel A. . . . 34918 1 11 K. Teilum K. . . . 34918 1 12 J. Winther J. R. . . 34918 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34918 _Assembly.ID 1 _Assembly.Name Luciferase _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34918 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_asym_ID_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_asym_ID_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 59 59 SG . 1 . 1 CYS 134 134 SG . . . . . . . . . . . . 34918 1 2 disulfide single . 1 . 1 CYS 63 63 SG . 1 . 1 CYS 66 66 SG . . . . . . . . . . . . 34918 1 3 disulfide single . 1 . 1 CYS 72 72 SG . 1 . 1 CYS 84 84 SG . . . . . . . . . . . . 34918 1 4 disulfide single . 1 . 1 CYS 127 127 SG . 1 . 1 CYS 130 130 SG . . . . . . . . . . . . 34918 1 5 disulfide single . 1 . 1 CYS 143 143 SG . 1 . 1 CYS 155 155 SG . . . . . . . . . . . . 34918 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34918 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHHHHHHKPTENNEDFNIVA VASNFATTDLDADRGKLPGK KLPLEVLKEMEANARKAGCT RGCLICLSHIKCTPKMKKFI PGRCHTYEGDKESAQGGIGE AIVDIPEIPGFKDLEPMEQF IAQVDLCVDCTTGCLKGLAN VQCSDLLKKWLPQRCATFAS KIQGQVDKIKGAGGD ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 175 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19155.137 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -6 MET . 34918 1 2 -5 HIS . 34918 1 3 -4 HIS . 34918 1 4 -3 HIS . 34918 1 5 -2 HIS . 34918 1 6 -1 HIS . 34918 1 7 0 HIS . 34918 1 8 1 LYS . 34918 1 9 2 PRO . 34918 1 10 3 THR . 34918 1 11 4 GLU . 34918 1 12 5 ASN . 34918 1 13 6 ASN . 34918 1 14 7 GLU . 34918 1 15 8 ASP . 34918 1 16 9 PHE . 34918 1 17 10 ASN . 34918 1 18 11 ILE . 34918 1 19 12 VAL . 34918 1 20 13 ALA . 34918 1 21 14 VAL . 34918 1 22 15 ALA . 34918 1 23 16 SER . 34918 1 24 17 ASN . 34918 1 25 18 PHE . 34918 1 26 19 ALA . 34918 1 27 20 THR . 34918 1 28 21 THR . 34918 1 29 22 ASP . 34918 1 30 23 LEU . 34918 1 31 24 ASP . 34918 1 32 25 ALA . 34918 1 33 26 ASP . 34918 1 34 27 ARG . 34918 1 35 28 GLY . 34918 1 36 29 LYS . 34918 1 37 30 LEU . 34918 1 38 31 PRO . 34918 1 39 32 GLY . 34918 1 40 33 LYS . 34918 1 41 34 LYS . 34918 1 42 35 LEU . 34918 1 43 36 PRO . 34918 1 44 37 LEU . 34918 1 45 38 GLU . 34918 1 46 39 VAL . 34918 1 47 40 LEU . 34918 1 48 41 LYS . 34918 1 49 42 GLU . 34918 1 50 43 MET . 34918 1 51 44 GLU . 34918 1 52 45 ALA . 34918 1 53 46 ASN . 34918 1 54 47 ALA . 34918 1 55 48 ARG . 34918 1 56 49 LYS . 34918 1 57 50 ALA . 34918 1 58 51 GLY . 34918 1 59 52 CYS . 34918 1 60 53 THR . 34918 1 61 54 ARG . 34918 1 62 55 GLY . 34918 1 63 56 CYS . 34918 1 64 57 LEU . 34918 1 65 58 ILE . 34918 1 66 59 CYS . 34918 1 67 60 LEU . 34918 1 68 61 SER . 34918 1 69 62 HIS . 34918 1 70 63 ILE . 34918 1 71 64 LYS . 34918 1 72 65 CYS . 34918 1 73 66 THR . 34918 1 74 67 PRO . 34918 1 75 68 LYS . 34918 1 76 69 MET . 34918 1 77 70 LYS . 34918 1 78 71 LYS . 34918 1 79 72 PHE . 34918 1 80 73 ILE . 34918 1 81 74 PRO . 34918 1 82 75 GLY . 34918 1 83 76 ARG . 34918 1 84 77 CYS . 34918 1 85 78 HIS . 34918 1 86 79 THR . 34918 1 87 80 TYR . 34918 1 88 81 GLU . 34918 1 89 82 GLY . 34918 1 90 83 ASP . 34918 1 91 84 LYS . 34918 1 92 85 GLU . 34918 1 93 86 SER . 34918 1 94 87 ALA . 34918 1 95 88 GLN . 34918 1 96 89 GLY . 34918 1 97 90 GLY . 34918 1 98 91 ILE . 34918 1 99 92 GLY . 34918 1 100 93 GLU . 34918 1 101 94 ALA . 34918 1 102 95 ILE . 34918 1 103 96 VAL . 34918 1 104 97 ASP . 34918 1 105 98 ILE . 34918 1 106 99 PRO . 34918 1 107 100 GLU . 34918 1 108 101 ILE . 34918 1 109 102 PRO . 34918 1 110 103 GLY . 34918 1 111 104 PHE . 34918 1 112 105 LYS . 34918 1 113 106 ASP . 34918 1 114 107 LEU . 34918 1 115 108 GLU . 34918 1 116 109 PRO . 34918 1 117 110 MET . 34918 1 118 111 GLU . 34918 1 119 112 GLN . 34918 1 120 113 PHE . 34918 1 121 114 ILE . 34918 1 122 115 ALA . 34918 1 123 116 GLN . 34918 1 124 117 VAL . 34918 1 125 118 ASP . 34918 1 126 119 LEU . 34918 1 127 120 CYS . 34918 1 128 121 VAL . 34918 1 129 122 ASP . 34918 1 130 123 CYS . 34918 1 131 124 THR . 34918 1 132 125 THR . 34918 1 133 126 GLY . 34918 1 134 127 CYS . 34918 1 135 128 LEU . 34918 1 136 129 LYS . 34918 1 137 130 GLY . 34918 1 138 131 LEU . 34918 1 139 132 ALA . 34918 1 140 133 ASN . 34918 1 141 134 VAL . 34918 1 142 135 GLN . 34918 1 143 136 CYS . 34918 1 144 137 SER . 34918 1 145 138 ASP . 34918 1 146 139 LEU . 34918 1 147 140 LEU . 34918 1 148 141 LYS . 34918 1 149 142 LYS . 34918 1 150 143 TRP . 34918 1 151 144 LEU . 34918 1 152 145 PRO . 34918 1 153 146 GLN . 34918 1 154 147 ARG . 34918 1 155 148 CYS . 34918 1 156 149 ALA . 34918 1 157 150 THR . 34918 1 158 151 PHE . 34918 1 159 152 ALA . 34918 1 160 153 SER . 34918 1 161 154 LYS . 34918 1 162 155 ILE . 34918 1 163 156 GLN . 34918 1 164 157 GLY . 34918 1 165 158 GLN . 34918 1 166 159 VAL . 34918 1 167 160 ASP . 34918 1 168 161 LYS . 34918 1 169 162 ILE . 34918 1 170 163 LYS . 34918 1 171 164 GLY . 34918 1 172 165 ALA . 34918 1 173 166 GLY . 34918 1 174 167 GLY . 34918 1 175 168 ASP . 34918 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34918 1 . HIS 2 2 34918 1 . HIS 3 3 34918 1 . HIS 4 4 34918 1 . HIS 5 5 34918 1 . HIS 6 6 34918 1 . HIS 7 7 34918 1 . LYS 8 8 34918 1 . PRO 9 9 34918 1 . THR 10 10 34918 1 . GLU 11 11 34918 1 . ASN 12 12 34918 1 . ASN 13 13 34918 1 . GLU 14 14 34918 1 . ASP 15 15 34918 1 . PHE 16 16 34918 1 . ASN 17 17 34918 1 . ILE 18 18 34918 1 . VAL 19 19 34918 1 . ALA 20 20 34918 1 . VAL 21 21 34918 1 . ALA 22 22 34918 1 . SER 23 23 34918 1 . ASN 24 24 34918 1 . PHE 25 25 34918 1 . ALA 26 26 34918 1 . THR 27 27 34918 1 . THR 28 28 34918 1 . ASP 29 29 34918 1 . LEU 30 30 34918 1 . ASP 31 31 34918 1 . ALA 32 32 34918 1 . ASP 33 33 34918 1 . ARG 34 34 34918 1 . GLY 35 35 34918 1 . LYS 36 36 34918 1 . LEU 37 37 34918 1 . PRO 38 38 34918 1 . GLY 39 39 34918 1 . LYS 40 40 34918 1 . LYS 41 41 34918 1 . LEU 42 42 34918 1 . PRO 43 43 34918 1 . LEU 44 44 34918 1 . GLU 45 45 34918 1 . VAL 46 46 34918 1 . LEU 47 47 34918 1 . LYS 48 48 34918 1 . GLU 49 49 34918 1 . MET 50 50 34918 1 . GLU 51 51 34918 1 . ALA 52 52 34918 1 . ASN 53 53 34918 1 . ALA 54 54 34918 1 . ARG 55 55 34918 1 . LYS 56 56 34918 1 . ALA 57 57 34918 1 . GLY 58 58 34918 1 . CYS 59 59 34918 1 . THR 60 60 34918 1 . ARG 61 61 34918 1 . GLY 62 62 34918 1 . CYS 63 63 34918 1 . LEU 64 64 34918 1 . ILE 65 65 34918 1 . CYS 66 66 34918 1 . LEU 67 67 34918 1 . SER 68 68 34918 1 . HIS 69 69 34918 1 . ILE 70 70 34918 1 . LYS 71 71 34918 1 . CYS 72 72 34918 1 . THR 73 73 34918 1 . PRO 74 74 34918 1 . LYS 75 75 34918 1 . MET 76 76 34918 1 . LYS 77 77 34918 1 . LYS 78 78 34918 1 . PHE 79 79 34918 1 . ILE 80 80 34918 1 . PRO 81 81 34918 1 . GLY 82 82 34918 1 . ARG 83 83 34918 1 . CYS 84 84 34918 1 . HIS 85 85 34918 1 . THR 86 86 34918 1 . TYR 87 87 34918 1 . GLU 88 88 34918 1 . GLY 89 89 34918 1 . ASP 90 90 34918 1 . LYS 91 91 34918 1 . GLU 92 92 34918 1 . SER 93 93 34918 1 . ALA 94 94 34918 1 . GLN 95 95 34918 1 . GLY 96 96 34918 1 . GLY 97 97 34918 1 . ILE 98 98 34918 1 . GLY 99 99 34918 1 . GLU 100 100 34918 1 . ALA 101 101 34918 1 . ILE 102 102 34918 1 . VAL 103 103 34918 1 . ASP 104 104 34918 1 . ILE 105 105 34918 1 . PRO 106 106 34918 1 . GLU 107 107 34918 1 . ILE 108 108 34918 1 . PRO 109 109 34918 1 . GLY 110 110 34918 1 . PHE 111 111 34918 1 . LYS 112 112 34918 1 . ASP 113 113 34918 1 . LEU 114 114 34918 1 . GLU 115 115 34918 1 . PRO 116 116 34918 1 . MET 117 117 34918 1 . GLU 118 118 34918 1 . GLN 119 119 34918 1 . PHE 120 120 34918 1 . ILE 121 121 34918 1 . ALA 122 122 34918 1 . GLN 123 123 34918 1 . VAL 124 124 34918 1 . ASP 125 125 34918 1 . LEU 126 126 34918 1 . CYS 127 127 34918 1 . VAL 128 128 34918 1 . ASP 129 129 34918 1 . CYS 130 130 34918 1 . THR 131 131 34918 1 . THR 132 132 34918 1 . GLY 133 133 34918 1 . CYS 134 134 34918 1 . LEU 135 135 34918 1 . LYS 136 136 34918 1 . GLY 137 137 34918 1 . LEU 138 138 34918 1 . ALA 139 139 34918 1 . ASN 140 140 34918 1 . VAL 141 141 34918 1 . GLN 142 142 34918 1 . CYS 143 143 34918 1 . SER 144 144 34918 1 . ASP 145 145 34918 1 . LEU 146 146 34918 1 . LEU 147 147 34918 1 . LYS 148 148 34918 1 . LYS 149 149 34918 1 . TRP 150 150 34918 1 . LEU 151 151 34918 1 . PRO 152 152 34918 1 . GLN 153 153 34918 1 . ARG 154 154 34918 1 . CYS 155 155 34918 1 . ALA 156 156 34918 1 . THR 157 157 34918 1 . PHE 158 158 34918 1 . ALA 159 159 34918 1 . SER 160 160 34918 1 . LYS 161 161 34918 1 . ILE 162 162 34918 1 . GLN 163 163 34918 1 . GLY 164 164 34918 1 . GLN 165 165 34918 1 . VAL 166 166 34918 1 . ASP 167 167 34918 1 . LYS 168 168 34918 1 . ILE 169 169 34918 1 . LYS 170 170 34918 1 . GLY 171 171 34918 1 . ALA 172 172 34918 1 . GLY 173 173 34918 1 . GLY 174 174 34918 1 . ASP 175 175 34918 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 34918 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 148582 organism . 'Gaussia princeps (Scott, 1894)' 'Gaussia princeps' . . Eukaryota Metazoa Gaussia princeps . . . . . . . . . . . . . 34918 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 34918 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 34918 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34918 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.8 mM [U-15N; U-13C] GAUSSIA LUCIFERASE, 0.02 % sodium azide, 50 mM sodium dihydrogen phosphate, 0.125 mM sodium trimethylsilylpropanesulfonate (DSS), 7.5 mM sodium hydroxide, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'GAUSSIA LUCIFERASE' '[U-15N; U-13C]' . . 1 $entity_1 . . 0.8 . . mM . . . . 34918 1 2 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 34918 1 3 'sodium dihydrogen phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 34918 1 4 'sodium trimethylsilylpropanesulfonate (DSS)' 'natural abundance' . . . . . . 0.125 . . mM . . . . 34918 1 5 'sodium hydroxide' 'natural abundance' . . . . . . 7.5 . . mM . . . . 34918 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34918 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 57.6 0.5 mM 34918 1 pH 6.0 . pH 34918 1 pressure 1 . atm 34918 1 temperature 308.15 . K 34918 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34918 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34918 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34918 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34918 _Software.ID 2 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34918 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34918 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34918 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34918 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34918 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34918 _Software.ID 4 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details ; Wim F. Vranken, Wayne Boucher, Tim J. Stevens, Rasmus H. Fogh, Anne Pajon, Miguel Llinas, Eldon L. Ulrich, John L. Markley, John Ionides and Ernest D. Laue ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CcpNmr . . 34918 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34918 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34918 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34918 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III HD' . 750 . . . 34918 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 34918 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34918 1 2 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34918 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34918 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34918 1 5 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34918 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34918 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34918 1 8 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34918 1 9 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34918 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34918 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34918 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34918 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34918 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34918 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34918 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34918 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 '3D 1H-13C NOESY aliphatic' . . . 34918 1 2 '3D 1H-13C NOESY aromatic' . . . 34918 1 3 '3D 1H-15N NOESY' . . . 34918 1 4 '3D HNCACB' . . . 34918 1 5 '3D HNCACO' . . . 34918 1 6 '2D 1H-13C HSQC aliphatic' . . . 34918 1 7 '3D HBHA(CO)NH' . . . 34918 1 8 '3D HN(COCA)CB' . . . 34918 1 9 '3D HNCO' . . . 34918 1 10 '2D 1H-13C HSQC aromatic' . . . 34918 1 11 '2D 1H-15N HSQC' . . . 34918 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 9 9 PRO HA H 1 4.467 0.010 . . . . . . A 2 PRO HA . 34918 1 2 . 1 . 1 9 9 PRO HB2 H 1 2.317 0.010 . . . . . . A 2 PRO HB2 . 34918 1 3 . 1 . 1 9 9 PRO HB3 H 1 1.957 0.010 . . . . . . A 2 PRO HB3 . 34918 1 4 . 1 . 1 9 9 PRO HG2 H 1 2.008 0.010 . . . . . . A 2 PRO HG2 . 34918 1 5 . 1 . 1 9 9 PRO HG3 H 1 2.038 0.010 . . . . . . A 2 PRO HG3 . 34918 1 6 . 1 . 1 9 9 PRO HD2 H 1 3.662 0.010 . . . . . . A 2 PRO HD2 . 34918 1 7 . 1 . 1 9 9 PRO HD3 H 1 3.778 0.010 . . . . . . A 2 PRO HD3 . 34918 1 8 . 1 . 1 9 9 PRO C C 13 177.085 0.100 . . . . . . A 2 PRO C . 34918 1 9 . 1 . 1 9 9 PRO CA C 13 63.559 0.100 . . . . . . A 2 PRO CA . 34918 1 10 . 1 . 1 9 9 PRO CB C 13 32.087 0.100 . . . . . . A 2 PRO CB . 34918 1 11 . 1 . 1 9 9 PRO CG C 13 27.509 0.100 . . . . . . A 2 PRO CG . 34918 1 12 . 1 . 1 9 9 PRO CD C 13 50.737 0.100 . . . . . . A 2 PRO CD . 34918 1 13 . 1 . 1 10 10 THR H H 1 8.044 0.010 . . . . . . A 3 THR H . 34918 1 14 . 1 . 1 10 10 THR HA H 1 4.282 0.010 . . . . . . A 3 THR HA . 34918 1 15 . 1 . 1 10 10 THR HB H 1 4.240 0.010 . . . . . . A 3 THR HB . 34918 1 16 . 1 . 1 10 10 THR HG21 H 1 1.207 0.010 . . . . . . A 3 THR HG21 . 34918 1 17 . 1 . 1 10 10 THR HG22 H 1 1.207 0.010 . . . . . . A 3 THR HG22 . 34918 1 18 . 1 . 1 10 10 THR HG23 H 1 1.207 0.010 . . . . . . A 3 THR HG23 . 34918 1 19 . 1 . 1 10 10 THR C C 13 174.652 0.100 . . . . . . A 3 THR C . 34918 1 20 . 1 . 1 10 10 THR CA C 13 61.955 0.100 . . . . . . A 3 THR CA . 34918 1 21 . 1 . 1 10 10 THR CB C 13 69.768 0.100 . . . . . . A 3 THR CB . 34918 1 22 . 1 . 1 10 10 THR N N 15 113.151 0.050 . . . . . . A 3 THR N . 34918 1 23 . 1 . 1 11 11 GLU H H 1 8.297 0.010 . . . . . . A 4 GLU H . 34918 1 24 . 1 . 1 11 11 GLU HA H 1 4.307 0.010 . . . . . . A 4 GLU HA . 34918 1 25 . 1 . 1 11 11 GLU HB2 H 1 2.048 0.010 . . . . . . A 4 GLU HB2 . 34918 1 26 . 1 . 1 11 11 GLU HB3 H 1 1.924 0.010 . . . . . . A 4 GLU HB3 . 34918 1 27 . 1 . 1 11 11 GLU C C 13 175.964 0.100 . . . . . . A 4 GLU C . 34918 1 28 . 1 . 1 11 11 GLU CA C 13 56.536 0.100 . . . . . . A 4 GLU CA . 34918 1 29 . 1 . 1 11 11 GLU CB C 13 30.489 0.100 . . . . . . A 4 GLU CB . 34918 1 30 . 1 . 1 11 11 GLU N N 15 122.635 0.050 . . . . . . A 4 GLU N . 34918 1 31 . 1 . 1 12 12 ASN H H 1 8.403 0.010 . . . . . . A 5 ASN H . 34918 1 32 . 1 . 1 12 12 ASN HA H 1 4.688 0.010 . . . . . . A 5 ASN HA . 34918 1 33 . 1 . 1 12 12 ASN HB2 H 1 2.727 0.010 . . . . . . A 5 ASN HB2 . 34918 1 34 . 1 . 1 12 12 ASN HB3 H 1 2.808 0.010 . . . . . . A 5 ASN HB3 . 34918 1 35 . 1 . 1 12 12 ASN C C 13 174.864 0.100 . . . . . . A 5 ASN C . 34918 1 36 . 1 . 1 12 12 ASN CA C 13 53.367 0.100 . . . . . . A 5 ASN CA . 34918 1 37 . 1 . 1 12 12 ASN CB C 13 39.083 0.100 . . . . . . A 5 ASN CB . 34918 1 38 . 1 . 1 12 12 ASN N N 15 119.423 0.050 . . . . . . A 5 ASN N . 34918 1 39 . 1 . 1 13 13 ASN H H 1 8.396 0.010 . . . . . . A 6 ASN H . 34918 1 40 . 1 . 1 13 13 ASN HA H 1 4.673 0.010 . . . . . . A 6 ASN HA . 34918 1 41 . 1 . 1 13 13 ASN HB2 H 1 2.790 0.010 . . . . . . A 6 ASN HB2 . 34918 1 42 . 1 . 1 13 13 ASN HB3 H 1 2.717 0.010 . . . . . . A 6 ASN HB3 . 34918 1 43 . 1 . 1 13 13 ASN C C 13 175.119 0.100 . . . . . . A 6 ASN C . 34918 1 44 . 1 . 1 13 13 ASN CA C 13 53.501 0.100 . . . . . . A 6 ASN CA . 34918 1 45 . 1 . 1 13 13 ASN CB C 13 39.047 0.100 . . . . . . A 6 ASN CB . 34918 1 46 . 1 . 1 13 13 ASN N N 15 119.555 0.050 . . . . . . A 6 ASN N . 34918 1 47 . 1 . 1 14 14 GLU H H 1 8.292 0.010 . . . . . . A 7 GLU H . 34918 1 48 . 1 . 1 14 14 GLU HA H 1 4.304 0.010 . . . . . . A 7 GLU HA . 34918 1 49 . 1 . 1 14 14 GLU HB2 H 1 1.873 0.010 . . . . . . A 7 GLU HB2 . 34918 1 50 . 1 . 1 14 14 GLU HB3 H 1 2.027 0.010 . . . . . . A 7 GLU HB3 . 34918 1 51 . 1 . 1 14 14 GLU C C 13 175.905 0.100 . . . . . . A 7 GLU C . 34918 1 52 . 1 . 1 14 14 GLU CA C 13 56.567 0.100 . . . . . . A 7 GLU CA . 34918 1 53 . 1 . 1 14 14 GLU CB C 13 30.388 0.100 . . . . . . A 7 GLU CB . 34918 1 54 . 1 . 1 14 14 GLU N N 15 120.610 0.050 . . . . . . A 7 GLU N . 34918 1 55 . 1 . 1 15 15 ASP H H 1 8.274 0.010 . . . . . . A 8 ASP H . 34918 1 56 . 1 . 1 15 15 ASP HA H 1 4.600 0.010 . . . . . . A 8 ASP HA . 34918 1 57 . 1 . 1 15 15 ASP HB2 H 1 2.655 0.010 . . . . . . A 8 ASP HB2 . 34918 1 58 . 1 . 1 15 15 ASP HB3 H 1 2.551 0.010 . . . . . . A 8 ASP HB3 . 34918 1 59 . 1 . 1 15 15 ASP C C 13 175.330 0.100 . . . . . . A 8 ASP C . 34918 1 60 . 1 . 1 15 15 ASP CA C 13 54.719 0.100 . . . . . . A 8 ASP CA . 34918 1 61 . 1 . 1 15 15 ASP CB C 13 41.755 0.100 . . . . . . A 8 ASP CB . 34918 1 62 . 1 . 1 15 15 ASP N N 15 120.625 0.050 . . . . . . A 8 ASP N . 34918 1 63 . 1 . 1 27 27 THR HA H 1 4.345 0.010 . . . . . . A 20 THR HA . 34918 1 64 . 1 . 1 27 27 THR HB H 1 4.322 0.010 . . . . . . A 20 THR HB . 34918 1 65 . 1 . 1 27 27 THR HG21 H 1 1.209 0.010 . . . . . . A 20 THR HG21 . 34918 1 66 . 1 . 1 27 27 THR HG22 H 1 1.209 0.010 . . . . . . A 20 THR HG22 . 34918 1 67 . 1 . 1 27 27 THR HG23 H 1 1.209 0.010 . . . . . . A 20 THR HG23 . 34918 1 68 . 1 . 1 27 27 THR C C 13 174.710 0.100 . . . . . . A 20 THR C . 34918 1 69 . 1 . 1 27 27 THR CG2 C 13 21.832 0.100 . . . . . . A 20 THR CG2 . 34918 1 70 . 1 . 1 28 28 THR H H 1 7.879 0.010 . . . . . . A 21 THR H . 34918 1 71 . 1 . 1 28 28 THR HA H 1 4.427 0.010 . . . . . . A 21 THR HA . 34918 1 72 . 1 . 1 28 28 THR HB H 1 4.201 0.010 . . . . . . A 21 THR HB . 34918 1 73 . 1 . 1 28 28 THR HG21 H 1 1.178 0.010 . . . . . . A 21 THR HG21 . 34918 1 74 . 1 . 1 28 28 THR HG22 H 1 1.178 0.010 . . . . . . A 21 THR HG22 . 34918 1 75 . 1 . 1 28 28 THR HG23 H 1 1.178 0.010 . . . . . . A 21 THR HG23 . 34918 1 76 . 1 . 1 28 28 THR C C 13 173.767 0.100 . . . . . . A 21 THR C . 34918 1 77 . 1 . 1 28 28 THR CA C 13 61.368 0.100 . . . . . . A 21 THR CA . 34918 1 78 . 1 . 1 28 28 THR CB C 13 70.302 0.100 . . . . . . A 21 THR CB . 34918 1 79 . 1 . 1 28 28 THR CG2 C 13 21.299 0.100 . . . . . . A 21 THR CG2 . 34918 1 80 . 1 . 1 28 28 THR N N 15 114.629 0.050 . . . . . . A 21 THR N . 34918 1 81 . 1 . 1 29 29 ASP H H 1 8.347 0.010 . . . . . . A 22 ASP H . 34918 1 82 . 1 . 1 29 29 ASP HA H 1 4.579 0.010 . . . . . . A 22 ASP HA . 34918 1 83 . 1 . 1 29 29 ASP HB2 H 1 2.747 0.010 . . . . . . A 22 ASP HB2 . 34918 1 84 . 1 . 1 29 29 ASP HB3 H 1 2.613 0.010 . . . . . . A 22 ASP HB3 . 34918 1 85 . 1 . 1 29 29 ASP C C 13 176.398 0.100 . . . . . . A 22 ASP C . 34918 1 86 . 1 . 1 29 29 ASP CA C 13 54.519 0.100 . . . . . . A 22 ASP CA . 34918 1 87 . 1 . 1 29 29 ASP CB C 13 41.254 0.100 . . . . . . A 22 ASP CB . 34918 1 88 . 1 . 1 29 29 ASP N N 15 122.077 0.050 . . . . . . A 22 ASP N . 34918 1 89 . 1 . 1 30 30 LEU H H 1 8.184 0.010 . . . . . . A 23 LEU H . 34918 1 90 . 1 . 1 30 30 LEU HA H 1 4.282 0.010 . . . . . . A 23 LEU HA . 34918 1 91 . 1 . 1 30 30 LEU HB2 H 1 1.607 0.010 . . . . . . A 23 LEU HB2 . 34918 1 92 . 1 . 1 30 30 LEU HD11 H 1 0.872 0.010 . . . . . . A 23 LEU HD11 . 34918 1 93 . 1 . 1 30 30 LEU HD12 H 1 0.872 0.010 . . . . . . A 23 LEU HD12 . 34918 1 94 . 1 . 1 30 30 LEU HD13 H 1 0.872 0.010 . . . . . . A 23 LEU HD13 . 34918 1 95 . 1 . 1 30 30 LEU HD21 H 1 0.824 0.010 . . . . . . A 23 LEU HD21 . 34918 1 96 . 1 . 1 30 30 LEU HD22 H 1 0.824 0.010 . . . . . . A 23 LEU HD22 . 34918 1 97 . 1 . 1 30 30 LEU HD23 H 1 0.824 0.010 . . . . . . A 23 LEU HD23 . 34918 1 98 . 1 . 1 30 30 LEU C C 13 177.237 0.100 . . . . . . A 23 LEU C . 34918 1 99 . 1 . 1 30 30 LEU CA C 13 55.778 0.100 . . . . . . A 23 LEU CA . 34918 1 100 . 1 . 1 30 30 LEU CB C 13 42.298 0.100 . . . . . . A 23 LEU CB . 34918 1 101 . 1 . 1 30 30 LEU CD1 C 13 25.284 0.100 . . . . . . A 23 LEU CD1 . 34918 1 102 . 1 . 1 30 30 LEU CD2 C 13 23.784 0.100 . . . . . . A 23 LEU CD2 . 34918 1 103 . 1 . 1 30 30 LEU N N 15 122.346 0.050 . . . . . . A 23 LEU N . 34918 1 104 . 1 . 1 31 31 ASP H H 1 8.213 0.010 . . . . . . A 24 ASP H . 34918 1 105 . 1 . 1 31 31 ASP HA H 1 4.529 0.010 . . . . . . A 24 ASP HA . 34918 1 106 . 1 . 1 31 31 ASP HB2 H 1 2.677 0.010 . . . . . . A 24 ASP HB2 . 34918 1 107 . 1 . 1 31 31 ASP C C 13 176.807 0.100 . . . . . . A 24 ASP C . 34918 1 108 . 1 . 1 31 31 ASP CA C 13 55.086 0.100 . . . . . . A 24 ASP CA . 34918 1 109 . 1 . 1 31 31 ASP CB C 13 41.202 0.100 . . . . . . A 24 ASP CB . 34918 1 110 . 1 . 1 31 31 ASP N N 15 119.561 0.050 . . . . . . A 24 ASP N . 34918 1 111 . 1 . 1 32 32 ALA H H 1 8.010 0.010 . . . . . . A 25 ALA H . 34918 1 112 . 1 . 1 32 32 ALA HA H 1 4.196 0.010 . . . . . . A 25 ALA HA . 34918 1 113 . 1 . 1 32 32 ALA HB1 H 1 1.387 0.010 . . . . . . A 25 ALA HB1 . 34918 1 114 . 1 . 1 32 32 ALA HB2 H 1 1.387 0.010 . . . . . . A 25 ALA HB2 . 34918 1 115 . 1 . 1 32 32 ALA HB3 H 1 1.387 0.010 . . . . . . A 25 ALA HB3 . 34918 1 116 . 1 . 1 32 32 ALA C C 13 178.198 0.100 . . . . . . A 25 ALA C . 34918 1 117 . 1 . 1 32 32 ALA CA C 13 53.538 0.100 . . . . . . A 25 ALA CA . 34918 1 118 . 1 . 1 32 32 ALA CB C 13 19.114 0.100 . . . . . . A 25 ALA CB . 34918 1 119 . 1 . 1 32 32 ALA N N 15 123.402 0.050 . . . . . . A 25 ALA N . 34918 1 120 . 1 . 1 33 33 ASP H H 1 8.166 0.010 . . . . . . A 26 ASP H . 34918 1 121 . 1 . 1 33 33 ASP HA H 1 4.591 0.010 . . . . . . A 26 ASP HA . 34918 1 122 . 1 . 1 33 33 ASP HB2 H 1 2.668 0.010 . . . . . . A 26 ASP HB2 . 34918 1 123 . 1 . 1 33 33 ASP HB3 H 1 2.769 0.010 . . . . . . A 26 ASP HB3 . 34918 1 124 . 1 . 1 33 33 ASP C C 13 177.129 0.100 . . . . . . A 26 ASP C . 34918 1 125 . 1 . 1 33 33 ASP CA C 13 55.102 0.100 . . . . . . A 26 ASP CA . 34918 1 126 . 1 . 1 33 33 ASP CB C 13 41.404 0.100 . . . . . . A 26 ASP CB . 34918 1 127 . 1 . 1 33 33 ASP N N 15 117.899 0.050 . . . . . . A 26 ASP N . 34918 1 128 . 1 . 1 34 34 ARG H H 1 8.113 0.010 . . . . . . A 27 ARG H . 34918 1 129 . 1 . 1 34 34 ARG HA H 1 4.176 0.010 . . . . . . A 27 ARG HA . 34918 1 130 . 1 . 1 34 34 ARG HB2 H 1 1.914 0.010 . . . . . . A 27 ARG HB2 . 34918 1 131 . 1 . 1 34 34 ARG HB3 H 1 1.805 0.010 . . . . . . A 27 ARG HB3 . 34918 1 132 . 1 . 1 34 34 ARG HG2 H 1 1.667 0.010 . . . . . . A 27 ARG HG2 . 34918 1 133 . 1 . 1 34 34 ARG HG3 H 1 1.612 0.010 . . . . . . A 27 ARG HG3 . 34918 1 134 . 1 . 1 34 34 ARG HD2 H 1 3.208 0.010 . . . . . . A 27 ARG HD2 . 34918 1 135 . 1 . 1 34 34 ARG C C 13 177.157 0.100 . . . . . . A 27 ARG C . 34918 1 136 . 1 . 1 34 34 ARG CA C 13 57.261 0.100 . . . . . . A 27 ARG CA . 34918 1 137 . 1 . 1 34 34 ARG CB C 13 30.227 0.100 . . . . . . A 27 ARG CB . 34918 1 138 . 1 . 1 34 34 ARG CG C 13 27.421 0.100 . . . . . . A 27 ARG CG . 34918 1 139 . 1 . 1 34 34 ARG CD C 13 43.407 0.100 . . . . . . A 27 ARG CD . 34918 1 140 . 1 . 1 34 34 ARG N N 15 120.343 0.050 . . . . . . A 27 ARG N . 34918 1 141 . 1 . 1 35 35 GLY H H 1 8.323 0.010 . . . . . . A 28 GLY H . 34918 1 142 . 1 . 1 35 35 GLY HA3 H 1 3.898 0.010 . . . . . . A 28 GLY HA3 . 34918 1 143 . 1 . 1 35 35 GLY C C 13 174.139 0.100 . . . . . . A 28 GLY C . 34918 1 144 . 1 . 1 35 35 GLY CA C 13 45.741 0.100 . . . . . . A 28 GLY CA . 34918 1 145 . 1 . 1 35 35 GLY N N 15 107.632 0.050 . . . . . . A 28 GLY N . 34918 1 146 . 1 . 1 36 36 LYS H H 1 7.807 0.010 . . . . . . A 29 LYS H . 34918 1 147 . 1 . 1 36 36 LYS HA H 1 4.354 0.010 . . . . . . A 29 LYS HA . 34918 1 148 . 1 . 1 36 36 LYS HB2 H 1 1.888 0.010 . . . . . . A 29 LYS HB2 . 34918 1 149 . 1 . 1 36 36 LYS HB3 H 1 1.772 0.010 . . . . . . A 29 LYS HB3 . 34918 1 150 . 1 . 1 36 36 LYS C C 13 176.447 0.100 . . . . . . A 29 LYS C . 34918 1 151 . 1 . 1 36 36 LYS CA C 13 56.137 0.100 . . . . . . A 29 LYS CA . 34918 1 152 . 1 . 1 36 36 LYS CB C 13 33.115 0.100 . . . . . . A 29 LYS CB . 34918 1 153 . 1 . 1 36 36 LYS N N 15 119.404 0.050 . . . . . . A 29 LYS N . 34918 1 154 . 1 . 1 37 37 LEU H H 1 8.058 0.010 . . . . . . A 30 LEU H . 34918 1 155 . 1 . 1 37 37 LEU HA H 1 4.628 0.010 . . . . . . A 30 LEU HA . 34918 1 156 . 1 . 1 37 37 LEU HB2 H 1 1.568 0.010 . . . . . . A 30 LEU HB2 . 34918 1 157 . 1 . 1 37 37 LEU C C 13 175.391 0.100 . . . . . . A 30 LEU C . 34918 1 158 . 1 . 1 37 37 LEU CA C 13 53.137 0.100 . . . . . . A 30 LEU CA . 34918 1 159 . 1 . 1 37 37 LEU CB C 13 41.790 0.100 . . . . . . A 30 LEU CB . 34918 1 160 . 1 . 1 37 37 LEU N N 15 123.048 0.050 . . . . . . A 30 LEU N . 34918 1 161 . 1 . 1 41 41 LYS C C 13 175.965 0.100 . . . . . . A 34 LYS C . 34918 1 162 . 1 . 1 41 41 LYS CA C 13 55.782 0.100 . . . . . . A 34 LYS CA . 34918 1 163 . 1 . 1 41 41 LYS CB C 13 33.372 0.100 . . . . . . A 34 LYS CB . 34918 1 164 . 1 . 1 42 42 LEU H H 1 8.189 0.010 . . . . . . A 35 LEU H . 34918 1 165 . 1 . 1 42 42 LEU HA H 1 4.201 0.010 . . . . . . A 35 LEU HA . 34918 1 166 . 1 . 1 42 42 LEU C C 13 174.271 0.100 . . . . . . A 35 LEU C . 34918 1 167 . 1 . 1 42 42 LEU CA C 13 52.607 0.100 . . . . . . A 35 LEU CA . 34918 1 168 . 1 . 1 42 42 LEU CB C 13 41.958 0.100 . . . . . . A 35 LEU CB . 34918 1 169 . 1 . 1 42 42 LEU N N 15 124.310 0.050 . . . . . . A 35 LEU N . 34918 1 170 . 1 . 1 43 43 PRO HA H 1 4.331 0.010 . . . . . . A 36 PRO HA . 34918 1 171 . 1 . 1 43 43 PRO HB2 H 1 2.256 0.010 . . . . . . A 36 PRO HB2 . 34918 1 172 . 1 . 1 43 43 PRO HB3 H 1 1.649 0.010 . . . . . . A 36 PRO HB3 . 34918 1 173 . 1 . 1 43 43 PRO C C 13 177.502 0.100 . . . . . . A 36 PRO C . 34918 1 174 . 1 . 1 43 43 PRO CA C 13 62.286 0.100 . . . . . . A 36 PRO CA . 34918 1 175 . 1 . 1 43 43 PRO CB C 13 32.368 0.100 . . . . . . A 36 PRO CB . 34918 1 176 . 1 . 1 44 44 LEU H H 1 8.565 0.010 . . . . . . A 37 LEU H . 34918 1 177 . 1 . 1 44 44 LEU HA H 1 3.920 0.010 . . . . . . A 37 LEU HA . 34918 1 178 . 1 . 1 44 44 LEU HB2 H 1 1.626 0.010 . . . . . . A 37 LEU HB2 . 34918 1 179 . 1 . 1 44 44 LEU HB3 H 1 1.665 0.010 . . . . . . A 37 LEU HB3 . 34918 1 180 . 1 . 1 44 44 LEU HD11 H 1 0.910 0.010 . . . . . . A 37 LEU HD11 . 34918 1 181 . 1 . 1 44 44 LEU HD12 H 1 0.910 0.010 . . . . . . A 37 LEU HD12 . 34918 1 182 . 1 . 1 44 44 LEU HD13 H 1 0.910 0.010 . . . . . . A 37 LEU HD13 . 34918 1 183 . 1 . 1 44 44 LEU HD21 H 1 0.943 0.010 . . . . . . A 37 LEU HD21 . 34918 1 184 . 1 . 1 44 44 LEU HD22 H 1 0.943 0.010 . . . . . . A 37 LEU HD22 . 34918 1 185 . 1 . 1 44 44 LEU HD23 H 1 0.943 0.010 . . . . . . A 37 LEU HD23 . 34918 1 186 . 1 . 1 44 44 LEU C C 13 178.634 0.100 . . . . . . A 37 LEU C . 34918 1 187 . 1 . 1 44 44 LEU CA C 13 58.307 0.100 . . . . . . A 37 LEU CA . 34918 1 188 . 1 . 1 44 44 LEU CB C 13 41.759 0.100 . . . . . . A 37 LEU CB . 34918 1 189 . 1 . 1 44 44 LEU CD1 C 13 24.356 0.100 . . . . . . A 37 LEU CD1 . 34918 1 190 . 1 . 1 44 44 LEU CD2 C 13 24.050 0.100 . . . . . . A 37 LEU CD2 . 34918 1 191 . 1 . 1 44 44 LEU N N 15 124.657 0.050 . . . . . . A 37 LEU N . 34918 1 192 . 1 . 1 45 45 GLU H H 1 9.408 0.010 . . . . . . A 38 GLU H . 34918 1 193 . 1 . 1 45 45 GLU HA H 1 3.901 0.010 . . . . . . A 38 GLU HA . 34918 1 194 . 1 . 1 45 45 GLU HB2 H 1 1.950 0.010 . . . . . . A 38 GLU HB2 . 34918 1 195 . 1 . 1 45 45 GLU HB3 H 1 1.929 0.010 . . . . . . A 38 GLU HB3 . 34918 1 196 . 1 . 1 45 45 GLU HG2 H 1 2.299 0.010 . . . . . . A 38 GLU HG2 . 34918 1 197 . 1 . 1 45 45 GLU HG3 H 1 2.320 0.010 . . . . . . A 38 GLU HG3 . 34918 1 198 . 1 . 1 45 45 GLU C C 13 179.362 0.100 . . . . . . A 38 GLU C . 34918 1 199 . 1 . 1 45 45 GLU CA C 13 60.131 0.100 . . . . . . A 38 GLU CA . 34918 1 200 . 1 . 1 45 45 GLU CB C 13 28.819 0.100 . . . . . . A 38 GLU CB . 34918 1 201 . 1 . 1 45 45 GLU CG C 13 36.652 0.100 . . . . . . A 38 GLU CG . 34918 1 202 . 1 . 1 45 45 GLU N N 15 115.631 0.050 . . . . . . A 38 GLU N . 34918 1 203 . 1 . 1 46 46 VAL H H 1 7.177 0.010 . . . . . . A 39 VAL H . 34918 1 204 . 1 . 1 46 46 VAL HA H 1 3.519 0.010 . . . . . . A 39 VAL HA . 34918 1 205 . 1 . 1 46 46 VAL HB H 1 1.956 0.010 . . . . . . A 39 VAL HB . 34918 1 206 . 1 . 1 46 46 VAL HG11 H 1 0.801 0.010 . . . . . . A 39 VAL HG11 . 34918 1 207 . 1 . 1 46 46 VAL HG12 H 1 0.801 0.010 . . . . . . A 39 VAL HG12 . 34918 1 208 . 1 . 1 46 46 VAL HG13 H 1 0.801 0.010 . . . . . . A 39 VAL HG13 . 34918 1 209 . 1 . 1 46 46 VAL HG21 H 1 0.577 0.010 . . . . . . A 39 VAL HG21 . 34918 1 210 . 1 . 1 46 46 VAL HG22 H 1 0.577 0.010 . . . . . . A 39 VAL HG22 . 34918 1 211 . 1 . 1 46 46 VAL HG23 H 1 0.577 0.010 . . . . . . A 39 VAL HG23 . 34918 1 212 . 1 . 1 46 46 VAL C C 13 177.018 0.100 . . . . . . A 39 VAL C . 34918 1 213 . 1 . 1 46 46 VAL CA C 13 65.649 0.100 . . . . . . A 39 VAL CA . 34918 1 214 . 1 . 1 46 46 VAL CB C 13 31.197 0.100 . . . . . . A 39 VAL CB . 34918 1 215 . 1 . 1 46 46 VAL CG1 C 13 21.562 0.100 . . . . . . A 39 VAL CG1 . 34918 1 216 . 1 . 1 46 46 VAL CG2 C 13 23.486 0.100 . . . . . . A 39 VAL CG2 . 34918 1 217 . 1 . 1 46 46 VAL N N 15 118.955 0.050 . . . . . . A 39 VAL N . 34918 1 218 . 1 . 1 47 47 LEU H H 1 7.179 0.010 . . . . . . A 40 LEU H . 34918 1 219 . 1 . 1 47 47 LEU HA H 1 3.843 0.010 . . . . . . A 40 LEU HA . 34918 1 220 . 1 . 1 47 47 LEU HB2 H 1 1.616 0.010 . . . . . . A 40 LEU HB2 . 34918 1 221 . 1 . 1 47 47 LEU HD11 H 1 0.849 0.010 . . . . . . A 40 LEU HD11 . 34918 1 222 . 1 . 1 47 47 LEU HD12 H 1 0.849 0.010 . . . . . . A 40 LEU HD12 . 34918 1 223 . 1 . 1 47 47 LEU HD13 H 1 0.849 0.010 . . . . . . A 40 LEU HD13 . 34918 1 224 . 1 . 1 47 47 LEU HD21 H 1 0.824 0.010 . . . . . . A 40 LEU HD21 . 34918 1 225 . 1 . 1 47 47 LEU HD22 H 1 0.824 0.010 . . . . . . A 40 LEU HD22 . 34918 1 226 . 1 . 1 47 47 LEU HD23 H 1 0.824 0.010 . . . . . . A 40 LEU HD23 . 34918 1 227 . 1 . 1 47 47 LEU C C 13 179.914 0.100 . . . . . . A 40 LEU C . 34918 1 228 . 1 . 1 47 47 LEU CA C 13 58.732 0.100 . . . . . . A 40 LEU CA . 34918 1 229 . 1 . 1 47 47 LEU CB C 13 40.892 0.100 . . . . . . A 40 LEU CB . 34918 1 230 . 1 . 1 47 47 LEU CD1 C 13 25.291 0.100 . . . . . . A 40 LEU CD1 . 34918 1 231 . 1 . 1 47 47 LEU CD2 C 13 24.448 0.100 . . . . . . A 40 LEU CD2 . 34918 1 232 . 1 . 1 47 47 LEU N N 15 120.834 0.050 . . . . . . A 40 LEU N . 34918 1 233 . 1 . 1 48 48 LYS H H 1 8.501 0.010 . . . . . . A 41 LYS H . 34918 1 234 . 1 . 1 48 48 LYS HA H 1 4.025 0.010 . . . . . . A 41 LYS HA . 34918 1 235 . 1 . 1 48 48 LYS HB2 H 1 1.840 0.010 . . . . . . A 41 LYS HB2 . 34918 1 236 . 1 . 1 48 48 LYS HB3 H 1 1.829 0.010 . . . . . . A 41 LYS HB3 . 34918 1 237 . 1 . 1 48 48 LYS HG2 H 1 1.438 0.010 . . . . . . A 41 LYS HG2 . 34918 1 238 . 1 . 1 48 48 LYS HG3 H 1 1.572 0.010 . . . . . . A 41 LYS HG3 . 34918 1 239 . 1 . 1 48 48 LYS HD2 H 1 1.595 0.010 . . . . . . A 41 LYS HD2 . 34918 1 240 . 1 . 1 48 48 LYS HD3 H 1 1.611 0.010 . . . . . . A 41 LYS HD3 . 34918 1 241 . 1 . 1 48 48 LYS C C 13 179.680 0.100 . . . . . . A 41 LYS C . 34918 1 242 . 1 . 1 48 48 LYS CA C 13 59.217 0.100 . . . . . . A 41 LYS CA . 34918 1 243 . 1 . 1 48 48 LYS CB C 13 32.046 0.100 . . . . . . A 41 LYS CB . 34918 1 244 . 1 . 1 48 48 LYS CG C 13 25.064 0.100 . . . . . . A 41 LYS CG . 34918 1 245 . 1 . 1 48 48 LYS CD C 13 28.811 0.100 . . . . . . A 41 LYS CD . 34918 1 246 . 1 . 1 48 48 LYS N N 15 117.546 0.050 . . . . . . A 41 LYS N . 34918 1 247 . 1 . 1 49 49 GLU H H 1 7.571 0.010 . . . . . . A 42 GLU H . 34918 1 248 . 1 . 1 49 49 GLU HA H 1 4.204 0.010 . . . . . . A 42 GLU HA . 34918 1 249 . 1 . 1 49 49 GLU HB2 H 1 2.190 0.010 . . . . . . A 42 GLU HB2 . 34918 1 250 . 1 . 1 49 49 GLU HB3 H 1 2.079 0.010 . . . . . . A 42 GLU HB3 . 34918 1 251 . 1 . 1 49 49 GLU HG2 H 1 2.331 0.010 . . . . . . A 42 GLU HG2 . 34918 1 252 . 1 . 1 49 49 GLU HG3 H 1 2.407 0.010 . . . . . . A 42 GLU HG3 . 34918 1 253 . 1 . 1 49 49 GLU C C 13 178.821 0.100 . . . . . . A 42 GLU C . 34918 1 254 . 1 . 1 49 49 GLU CA C 13 59.606 0.100 . . . . . . A 42 GLU CA . 34918 1 255 . 1 . 1 49 49 GLU CB C 13 29.464 0.100 . . . . . . A 42 GLU CB . 34918 1 256 . 1 . 1 49 49 GLU CG C 13 36.287 0.100 . . . . . . A 42 GLU CG . 34918 1 257 . 1 . 1 49 49 GLU N N 15 121.821 0.050 . . . . . . A 42 GLU N . 34918 1 258 . 1 . 1 50 50 MET H H 1 8.244 0.010 . . . . . . A 43 MET H . 34918 1 259 . 1 . 1 50 50 MET HA H 1 4.103 0.010 . . . . . . A 43 MET HA . 34918 1 260 . 1 . 1 50 50 MET C C 13 179.293 0.100 . . . . . . A 43 MET C . 34918 1 261 . 1 . 1 50 50 MET CA C 13 59.679 0.100 . . . . . . A 43 MET CA . 34918 1 262 . 1 . 1 50 50 MET CB C 13 33.434 0.100 . . . . . . A 43 MET CB . 34918 1 263 . 1 . 1 50 50 MET N N 15 118.552 0.050 . . . . . . A 43 MET N . 34918 1 264 . 1 . 1 51 51 GLU H H 1 8.474 0.010 . . . . . . A 44 GLU H . 34918 1 265 . 1 . 1 51 51 GLU HA H 1 3.810 0.010 . . . . . . A 44 GLU HA . 34918 1 266 . 1 . 1 51 51 GLU HB2 H 1 2.166 0.010 . . . . . . A 44 GLU HB2 . 34918 1 267 . 1 . 1 51 51 GLU HB3 H 1 2.142 0.010 . . . . . . A 44 GLU HB3 . 34918 1 268 . 1 . 1 51 51 GLU HG2 H 1 2.449 0.010 . . . . . . A 44 GLU HG2 . 34918 1 269 . 1 . 1 51 51 GLU HG3 H 1 2.165 0.010 . . . . . . A 44 GLU HG3 . 34918 1 270 . 1 . 1 51 51 GLU C C 13 178.346 0.100 . . . . . . A 44 GLU C . 34918 1 271 . 1 . 1 51 51 GLU CA C 13 60.253 0.100 . . . . . . A 44 GLU CA . 34918 1 272 . 1 . 1 51 51 GLU CB C 13 29.612 0.100 . . . . . . A 44 GLU CB . 34918 1 273 . 1 . 1 51 51 GLU CG C 13 36.867 0.100 . . . . . . A 44 GLU CG . 34918 1 274 . 1 . 1 51 51 GLU N N 15 120.370 0.050 . . . . . . A 44 GLU N . 34918 1 275 . 1 . 1 52 52 ALA H H 1 8.294 0.010 . . . . . . A 45 ALA H . 34918 1 276 . 1 . 1 52 52 ALA HA H 1 4.083 0.010 . . . . . . A 45 ALA HA . 34918 1 277 . 1 . 1 52 52 ALA HB1 H 1 1.555 0.010 . . . . . . A 45 ALA HB1 . 34918 1 278 . 1 . 1 52 52 ALA HB2 H 1 1.555 0.010 . . . . . . A 45 ALA HB2 . 34918 1 279 . 1 . 1 52 52 ALA HB3 H 1 1.555 0.010 . . . . . . A 45 ALA HB3 . 34918 1 280 . 1 . 1 52 52 ALA C C 13 180.857 0.100 . . . . . . A 45 ALA C . 34918 1 281 . 1 . 1 52 52 ALA CA C 13 55.391 0.100 . . . . . . A 45 ALA CA . 34918 1 282 . 1 . 1 52 52 ALA CB C 13 17.847 0.100 . . . . . . A 45 ALA CB . 34918 1 283 . 1 . 1 52 52 ALA N N 15 122.980 0.050 . . . . . . A 45 ALA N . 34918 1 284 . 1 . 1 53 53 ASN H H 1 8.374 0.010 . . . . . . A 46 ASN H . 34918 1 285 . 1 . 1 53 53 ASN HA H 1 4.431 0.010 . . . . . . A 46 ASN HA . 34918 1 286 . 1 . 1 53 53 ASN HB2 H 1 2.978 0.010 . . . . . . A 46 ASN HB2 . 34918 1 287 . 1 . 1 53 53 ASN HB3 H 1 2.792 0.010 . . . . . . A 46 ASN HB3 . 34918 1 288 . 1 . 1 53 53 ASN C C 13 178.057 0.100 . . . . . . A 46 ASN C . 34918 1 289 . 1 . 1 53 53 ASN CA C 13 55.917 0.100 . . . . . . A 46 ASN CA . 34918 1 290 . 1 . 1 53 53 ASN CB C 13 38.084 0.100 . . . . . . A 46 ASN CB . 34918 1 291 . 1 . 1 53 53 ASN N N 15 118.005 0.050 . . . . . . A 46 ASN N . 34918 1 292 . 1 . 1 54 54 ALA H H 1 7.981 0.010 . . . . . . A 47 ALA H . 34918 1 293 . 1 . 1 54 54 ALA HA H 1 3.953 0.010 . . . . . . A 47 ALA HA . 34918 1 294 . 1 . 1 54 54 ALA HB1 H 1 1.388 0.010 . . . . . . A 47 ALA HB1 . 34918 1 295 . 1 . 1 54 54 ALA HB2 H 1 1.388 0.010 . . . . . . A 47 ALA HB2 . 34918 1 296 . 1 . 1 54 54 ALA HB3 H 1 1.388 0.010 . . . . . . A 47 ALA HB3 . 34918 1 297 . 1 . 1 54 54 ALA C C 13 179.327 0.100 . . . . . . A 47 ALA C . 34918 1 298 . 1 . 1 54 54 ALA CA C 13 55.031 0.100 . . . . . . A 47 ALA CA . 34918 1 299 . 1 . 1 54 54 ALA CB C 13 17.712 0.100 . . . . . . A 47 ALA CB . 34918 1 300 . 1 . 1 54 54 ALA N N 15 123.575 0.050 . . . . . . A 47 ALA N . 34918 1 301 . 1 . 1 55 55 ARG H H 1 8.380 0.010 . . . . . . A 48 ARG H . 34918 1 302 . 1 . 1 55 55 ARG C C 13 181.165 0.100 . . . . . . A 48 ARG C . 34918 1 303 . 1 . 1 55 55 ARG CA C 13 59.332 0.100 . . . . . . A 48 ARG CA . 34918 1 304 . 1 . 1 55 55 ARG CB C 13 29.637 0.100 . . . . . . A 48 ARG CB . 34918 1 305 . 1 . 1 55 55 ARG N N 15 119.601 0.050 . . . . . . A 48 ARG N . 34918 1 306 . 1 . 1 56 56 LYS H H 1 8.292 0.010 . . . . . . A 49 LYS H . 34918 1 307 . 1 . 1 56 56 LYS HA H 1 4.058 0.010 . . . . . . A 49 LYS HA . 34918 1 308 . 1 . 1 56 56 LYS HB2 H 1 1.963 0.010 . . . . . . A 49 LYS HB2 . 34918 1 309 . 1 . 1 56 56 LYS HG2 H 1 1.619 0.010 . . . . . . A 49 LYS HG2 . 34918 1 310 . 1 . 1 56 56 LYS HG3 H 1 1.524 0.010 . . . . . . A 49 LYS HG3 . 34918 1 311 . 1 . 1 56 56 LYS HD2 H 1 1.723 0.010 . . . . . . A 49 LYS HD2 . 34918 1 312 . 1 . 1 56 56 LYS HE2 H 1 2.990 0.010 . . . . . . A 49 LYS HE2 . 34918 1 313 . 1 . 1 56 56 LYS C C 13 177.689 0.100 . . . . . . A 49 LYS C . 34918 1 314 . 1 . 1 56 56 LYS CA C 13 59.198 0.100 . . . . . . A 49 LYS CA . 34918 1 315 . 1 . 1 56 56 LYS CB C 13 32.275 0.100 . . . . . . A 49 LYS CB . 34918 1 316 . 1 . 1 56 56 LYS CG C 13 25.420 0.100 . . . . . . A 49 LYS CG . 34918 1 317 . 1 . 1 56 56 LYS CD C 13 29.433 0.100 . . . . . . A 49 LYS CD . 34918 1 318 . 1 . 1 56 56 LYS CE C 13 42.225 0.100 . . . . . . A 49 LYS CE . 34918 1 319 . 1 . 1 56 56 LYS N N 15 121.833 0.050 . . . . . . A 49 LYS N . 34918 1 320 . 1 . 1 57 57 ALA H H 1 7.318 0.010 . . . . . . A 50 ALA H . 34918 1 321 . 1 . 1 57 57 ALA HA H 1 4.289 0.010 . . . . . . A 50 ALA HA . 34918 1 322 . 1 . 1 57 57 ALA HB1 H 1 1.603 0.010 . . . . . . A 50 ALA HB1 . 34918 1 323 . 1 . 1 57 57 ALA HB2 H 1 1.603 0.010 . . . . . . A 50 ALA HB2 . 34918 1 324 . 1 . 1 57 57 ALA HB3 H 1 1.603 0.010 . . . . . . A 50 ALA HB3 . 34918 1 325 . 1 . 1 57 57 ALA C C 13 176.767 0.100 . . . . . . A 50 ALA C . 34918 1 326 . 1 . 1 57 57 ALA CA C 13 52.567 0.100 . . . . . . A 50 ALA CA . 34918 1 327 . 1 . 1 57 57 ALA CB C 13 18.733 0.100 . . . . . . A 50 ALA CB . 34918 1 328 . 1 . 1 57 57 ALA N N 15 119.561 0.050 . . . . . . A 50 ALA N . 34918 1 329 . 1 . 1 58 58 GLY H H 1 7.736 0.010 . . . . . . A 51 GLY H . 34918 1 330 . 1 . 1 58 58 GLY C C 13 175.550 0.100 . . . . . . A 51 GLY C . 34918 1 331 . 1 . 1 58 58 GLY CA C 13 44.645 0.100 . . . . . . A 51 GLY CA . 34918 1 332 . 1 . 1 58 58 GLY N N 15 103.229 0.050 . . . . . . A 51 GLY N . 34918 1 333 . 1 . 1 59 59 CYS H H 1 8.091 0.010 . . . . . . A 52 CYS H . 34918 1 334 . 1 . 1 59 59 CYS HA H 1 4.816 0.010 . . . . . . A 52 CYS HA . 34918 1 335 . 1 . 1 59 59 CYS C C 13 174.556 0.100 . . . . . . A 52 CYS C . 34918 1 336 . 1 . 1 59 59 CYS CA C 13 54.171 0.100 . . . . . . A 52 CYS CA . 34918 1 337 . 1 . 1 59 59 CYS CB C 13 41.627 0.100 . . . . . . A 52 CYS CB . 34918 1 338 . 1 . 1 59 59 CYS N N 15 118.606 0.050 . . . . . . A 52 CYS N . 34918 1 339 . 1 . 1 60 60 THR H H 1 7.847 0.010 . . . . . . A 53 THR H . 34918 1 340 . 1 . 1 60 60 THR C C 13 175.344 0.100 . . . . . . A 53 THR C . 34918 1 341 . 1 . 1 60 60 THR CA C 13 59.592 0.100 . . . . . . A 53 THR CA . 34918 1 342 . 1 . 1 60 60 THR CB C 13 71.081 0.100 . . . . . . A 53 THR CB . 34918 1 343 . 1 . 1 60 60 THR N N 15 115.323 0.050 . . . . . . A 53 THR N . 34918 1 344 . 1 . 1 61 61 ARG H H 1 9.108 0.010 . . . . . . A 54 ARG H . 34918 1 345 . 1 . 1 61 61 ARG HA H 1 3.710 0.010 . . . . . . A 54 ARG HA . 34918 1 346 . 1 . 1 61 61 ARG HB2 H 1 1.920 0.010 . . . . . . A 54 ARG HB2 . 34918 1 347 . 1 . 1 61 61 ARG HB3 H 1 1.803 0.010 . . . . . . A 54 ARG HB3 . 34918 1 348 . 1 . 1 61 61 ARG HG2 H 1 1.692 0.010 . . . . . . A 54 ARG HG2 . 34918 1 349 . 1 . 1 61 61 ARG HG3 H 1 1.603 0.010 . . . . . . A 54 ARG HG3 . 34918 1 350 . 1 . 1 61 61 ARG HD2 H 1 3.257 0.010 . . . . . . A 54 ARG HD2 . 34918 1 351 . 1 . 1 61 61 ARG HD3 H 1 3.235 0.010 . . . . . . A 54 ARG HD3 . 34918 1 352 . 1 . 1 61 61 ARG C C 13 178.062 0.100 . . . . . . A 54 ARG C . 34918 1 353 . 1 . 1 61 61 ARG CA C 13 60.376 0.100 . . . . . . A 54 ARG CA . 34918 1 354 . 1 . 1 61 61 ARG CB C 13 29.694 0.100 . . . . . . A 54 ARG CB . 34918 1 355 . 1 . 1 61 61 ARG CG C 13 27.968 0.100 . . . . . . A 54 ARG CG . 34918 1 356 . 1 . 1 61 61 ARG CD C 13 43.255 0.100 . . . . . . A 54 ARG CD . 34918 1 357 . 1 . 1 61 61 ARG N N 15 122.962 0.050 . . . . . . A 54 ARG N . 34918 1 358 . 1 . 1 62 62 GLY H H 1 8.654 0.010 . . . . . . A 55 GLY H . 34918 1 359 . 1 . 1 62 62 GLY HA2 H 1 3.728 0.010 . . . . . . A 55 GLY HA2 . 34918 1 360 . 1 . 1 62 62 GLY HA3 H 1 3.903 0.010 . . . . . . A 55 GLY HA3 . 34918 1 361 . 1 . 1 62 62 GLY C C 13 177.277 0.100 . . . . . . A 55 GLY C . 34918 1 362 . 1 . 1 62 62 GLY CA C 13 47.062 0.100 . . . . . . A 55 GLY CA . 34918 1 363 . 1 . 1 62 62 GLY N N 15 104.148 0.050 . . . . . . A 55 GLY N . 34918 1 364 . 1 . 1 63 63 CYS H H 1 7.535 0.010 . . . . . . A 56 CYS H . 34918 1 365 . 1 . 1 63 63 CYS HA H 1 4.232 0.010 . . . . . . A 56 CYS HA . 34918 1 366 . 1 . 1 63 63 CYS HB2 H 1 3.067 0.010 . . . . . . A 56 CYS HB2 . 34918 1 367 . 1 . 1 63 63 CYS HB3 H 1 2.700 0.010 . . . . . . A 56 CYS HB3 . 34918 1 368 . 1 . 1 63 63 CYS C C 13 174.935 0.100 . . . . . . A 56 CYS C . 34918 1 369 . 1 . 1 63 63 CYS CA C 13 58.843 0.100 . . . . . . A 56 CYS CA . 34918 1 370 . 1 . 1 63 63 CYS CB C 13 39.115 0.100 . . . . . . A 56 CYS CB . 34918 1 371 . 1 . 1 63 63 CYS N N 15 119.542 0.050 . . . . . . A 56 CYS N . 34918 1 372 . 1 . 1 64 64 LEU H H 1 7.737 0.010 . . . . . . A 57 LEU H . 34918 1 373 . 1 . 1 64 64 LEU HA H 1 3.695 0.010 . . . . . . A 57 LEU HA . 34918 1 374 . 1 . 1 64 64 LEU HD11 H 1 0.617 0.010 . 2 . . . . A 57 LEU HD11 . 34918 1 375 . 1 . 1 64 64 LEU HD12 H 1 0.617 0.010 . 2 . . . . A 57 LEU HD12 . 34918 1 376 . 1 . 1 64 64 LEU HD13 H 1 0.617 0.010 . 2 . . . . A 57 LEU HD13 . 34918 1 377 . 1 . 1 64 64 LEU HD21 H 1 0.617 0.010 . 2 . . . . A 57 LEU HD21 . 34918 1 378 . 1 . 1 64 64 LEU HD22 H 1 0.617 0.010 . 2 . . . . A 57 LEU HD22 . 34918 1 379 . 1 . 1 64 64 LEU HD23 H 1 0.617 0.010 . 2 . . . . A 57 LEU HD23 . 34918 1 380 . 1 . 1 64 64 LEU C C 13 179.464 0.100 . . . . . . A 57 LEU C . 34918 1 381 . 1 . 1 64 64 LEU CA C 13 58.270 0.100 . . . . . . A 57 LEU CA . 34918 1 382 . 1 . 1 64 64 LEU CB C 13 41.017 0.100 . . . . . . A 57 LEU CB . 34918 1 383 . 1 . 1 64 64 LEU CD1 C 13 23.199 0.100 . . . . . . A 57 LEU CD1 . 34918 1 384 . 1 . 1 64 64 LEU CD2 C 13 22.631 0.100 . . . . . . A 57 LEU CD2 . 34918 1 385 . 1 . 1 64 64 LEU N N 15 117.944 0.050 . . . . . . A 57 LEU N . 34918 1 386 . 1 . 1 65 65 ILE H H 1 8.616 0.010 . . . . . . A 58 ILE H . 34918 1 387 . 1 . 1 65 65 ILE HA H 1 3.525 0.010 . . . . . . A 58 ILE HA . 34918 1 388 . 1 . 1 65 65 ILE HB H 1 1.702 0.010 . . . . . . A 58 ILE HB . 34918 1 389 . 1 . 1 65 65 ILE HG12 H 1 1.010 0.010 . . . . . . A 58 ILE HG12 . 34918 1 390 . 1 . 1 65 65 ILE HG21 H 1 0.814 0.010 . . . . . . A 58 ILE HG21 . 34918 1 391 . 1 . 1 65 65 ILE HG22 H 1 0.814 0.010 . . . . . . A 58 ILE HG22 . 34918 1 392 . 1 . 1 65 65 ILE HG23 H 1 0.814 0.010 . . . . . . A 58 ILE HG23 . 34918 1 393 . 1 . 1 65 65 ILE HD11 H 1 0.798 0.010 . . . . . . A 58 ILE HD11 . 34918 1 394 . 1 . 1 65 65 ILE HD12 H 1 0.798 0.010 . . . . . . A 58 ILE HD12 . 34918 1 395 . 1 . 1 65 65 ILE HD13 H 1 0.798 0.010 . . . . . . A 58 ILE HD13 . 34918 1 396 . 1 . 1 65 65 ILE C C 13 178.203 0.100 . . . . . . A 58 ILE C . 34918 1 397 . 1 . 1 65 65 ILE CA C 13 65.320 0.100 . . . . . . A 58 ILE CA . 34918 1 398 . 1 . 1 65 65 ILE CB C 13 38.296 0.100 . . . . . . A 58 ILE CB . 34918 1 399 . 1 . 1 65 65 ILE CG1 C 13 29.392 0.100 . . . . . . A 58 ILE CG1 . 34918 1 400 . 1 . 1 65 65 ILE CG2 C 13 17.360 0.100 . . . . . . A 58 ILE CG2 . 34918 1 401 . 1 . 1 65 65 ILE CD1 C 13 13.732 0.100 . . . . . . A 58 ILE CD1 . 34918 1 402 . 1 . 1 65 65 ILE N N 15 119.255 0.050 . . . . . . A 58 ILE N . 34918 1 403 . 1 . 1 66 66 CYS H H 1 7.386 0.010 . . . . . . A 59 CYS H . 34918 1 404 . 1 . 1 66 66 CYS HA H 1 4.212 0.010 . . . . . . A 59 CYS HA . 34918 1 405 . 1 . 1 66 66 CYS HB2 H 1 3.277 0.010 . . . . . . A 59 CYS HB2 . 34918 1 406 . 1 . 1 66 66 CYS C C 13 178.737 0.100 . . . . . . A 59 CYS C . 34918 1 407 . 1 . 1 66 66 CYS CA C 13 60.951 0.100 . . . . . . A 59 CYS CA . 34918 1 408 . 1 . 1 66 66 CYS CB C 13 39.584 0.100 . . . . . . A 59 CYS CB . 34918 1 409 . 1 . 1 66 66 CYS N N 15 121.618 0.050 . . . . . . A 59 CYS N . 34918 1 410 . 1 . 1 67 67 LEU H H 1 8.906 0.010 . . . . . . A 60 LEU H . 34918 1 411 . 1 . 1 67 67 LEU HA H 1 4.133 0.010 . . . . . . A 60 LEU HA . 34918 1 412 . 1 . 1 67 67 LEU HB2 H 1 1.449 0.010 . . . . . . A 60 LEU HB2 . 34918 1 413 . 1 . 1 67 67 LEU HD11 H 1 0.953 0.010 . . . . . . A 60 LEU HD11 . 34918 1 414 . 1 . 1 67 67 LEU HD12 H 1 0.953 0.010 . . . . . . A 60 LEU HD12 . 34918 1 415 . 1 . 1 67 67 LEU HD13 H 1 0.953 0.010 . . . . . . A 60 LEU HD13 . 34918 1 416 . 1 . 1 67 67 LEU C C 13 179.678 0.100 . . . . . . A 60 LEU C . 34918 1 417 . 1 . 1 67 67 LEU CA C 13 57.263 0.100 . . . . . . A 60 LEU CA . 34918 1 418 . 1 . 1 67 67 LEU CB C 13 42.245 0.100 . . . . . . A 60 LEU CB . 34918 1 419 . 1 . 1 67 67 LEU N N 15 119.941 0.050 . . . . . . A 60 LEU N . 34918 1 420 . 1 . 1 68 68 SER H H 1 7.971 0.010 . . . . . . A 61 SER H . 34918 1 421 . 1 . 1 68 68 SER HA H 1 4.297 0.010 . . . . . . A 61 SER HA . 34918 1 422 . 1 . 1 68 68 SER HB2 H 1 3.963 0.010 . . . . . . A 61 SER HB2 . 34918 1 423 . 1 . 1 68 68 SER HB3 H 1 4.140 0.010 . . . . . . A 61 SER HB3 . 34918 1 424 . 1 . 1 68 68 SER C C 13 174.441 0.100 . . . . . . A 61 SER C . 34918 1 425 . 1 . 1 68 68 SER CA C 13 60.655 0.100 . . . . . . A 61 SER CA . 34918 1 426 . 1 . 1 68 68 SER CB C 13 63.366 0.100 . . . . . . A 61 SER CB . 34918 1 427 . 1 . 1 68 68 SER N N 15 113.863 0.050 . . . . . . A 61 SER N . 34918 1 428 . 1 . 1 69 69 HIS H H 1 7.588 0.010 . . . . . . A 62 HIS H . 34918 1 429 . 1 . 1 69 69 HIS HA H 1 4.884 0.010 . . . . . . A 62 HIS HA . 34918 1 430 . 1 . 1 69 69 HIS HB2 H 1 3.600 0.010 . . . . . . A 62 HIS HB2 . 34918 1 431 . 1 . 1 69 69 HIS HB3 H 1 3.160 0.010 . . . . . . A 62 HIS HB3 . 34918 1 432 . 1 . 1 69 69 HIS C C 13 174.127 0.100 . . . . . . A 62 HIS C . 34918 1 433 . 1 . 1 69 69 HIS CA C 13 54.819 0.100 . . . . . . A 62 HIS CA . 34918 1 434 . 1 . 1 69 69 HIS CB C 13 29.377 0.100 . . . . . . A 62 HIS CB . 34918 1 435 . 1 . 1 69 69 HIS N N 15 117.535 0.050 . . . . . . A 62 HIS N . 34918 1 436 . 1 . 1 70 70 ILE H H 1 7.145 0.010 . . . . . . A 63 ILE H . 34918 1 437 . 1 . 1 70 70 ILE HA H 1 3.745 0.010 . . . . . . A 63 ILE HA . 34918 1 438 . 1 . 1 70 70 ILE HB H 1 1.862 0.010 . . . . . . A 63 ILE HB . 34918 1 439 . 1 . 1 70 70 ILE HG12 H 1 1.079 0.010 . . . . . . A 63 ILE HG12 . 34918 1 440 . 1 . 1 70 70 ILE HG13 H 1 1.906 0.010 . . . . . . A 63 ILE HG13 . 34918 1 441 . 1 . 1 70 70 ILE HG21 H 1 0.851 0.010 . . . . . . A 63 ILE HG21 . 34918 1 442 . 1 . 1 70 70 ILE HG22 H 1 0.851 0.010 . . . . . . A 63 ILE HG22 . 34918 1 443 . 1 . 1 70 70 ILE HG23 H 1 0.851 0.010 . . . . . . A 63 ILE HG23 . 34918 1 444 . 1 . 1 70 70 ILE HD11 H 1 0.782 0.010 . . . . . . A 63 ILE HD11 . 34918 1 445 . 1 . 1 70 70 ILE HD12 H 1 0.782 0.010 . . . . . . A 63 ILE HD12 . 34918 1 446 . 1 . 1 70 70 ILE HD13 H 1 0.782 0.010 . . . . . . A 63 ILE HD13 . 34918 1 447 . 1 . 1 70 70 ILE C C 13 175.726 0.100 . . . . . . A 63 ILE C . 34918 1 448 . 1 . 1 70 70 ILE CA C 13 63.895 0.100 . . . . . . A 63 ILE CA . 34918 1 449 . 1 . 1 70 70 ILE CB C 13 37.777 0.100 . . . . . . A 63 ILE CB . 34918 1 450 . 1 . 1 70 70 ILE CG1 C 13 29.212 0.100 . . . . . . A 63 ILE CG1 . 34918 1 451 . 1 . 1 70 70 ILE CG2 C 13 16.614 0.100 . . . . . . A 63 ILE CG2 . 34918 1 452 . 1 . 1 70 70 ILE CD1 C 13 14.160 0.100 . . . . . . A 63 ILE CD1 . 34918 1 453 . 1 . 1 70 70 ILE N N 15 122.009 0.050 . . . . . . A 63 ILE N . 34918 1 454 . 1 . 1 71 71 LYS H H 1 9.005 0.010 . . . . . . A 64 LYS H . 34918 1 455 . 1 . 1 71 71 LYS HA H 1 4.590 0.010 . . . . . . A 64 LYS HA . 34918 1 456 . 1 . 1 71 71 LYS HB2 H 1 1.693 0.010 . . . . . . A 64 LYS HB2 . 34918 1 457 . 1 . 1 71 71 LYS HB3 H 1 1.550 0.010 . . . . . . A 64 LYS HB3 . 34918 1 458 . 1 . 1 71 71 LYS HG2 H 1 0.627 0.010 . . . . . . A 64 LYS HG2 . 34918 1 459 . 1 . 1 71 71 LYS HE2 H 1 3.026 0.010 . . . . . . A 64 LYS HE2 . 34918 1 460 . 1 . 1 71 71 LYS C C 13 175.793 0.100 . . . . . . A 64 LYS C . 34918 1 461 . 1 . 1 71 71 LYS CA C 13 54.911 0.100 . . . . . . A 64 LYS CA . 34918 1 462 . 1 . 1 71 71 LYS CB C 13 35.073 0.100 . . . . . . A 64 LYS CB . 34918 1 463 . 1 . 1 71 71 LYS N N 15 128.332 0.050 . . . . . . A 64 LYS N . 34918 1 464 . 1 . 1 72 72 CYS H H 1 8.582 0.010 . . . . . . A 65 CYS H . 34918 1 465 . 1 . 1 72 72 CYS HA H 1 5.425 0.010 . . . . . . A 65 CYS HA . 34918 1 466 . 1 . 1 72 72 CYS HB2 H 1 2.236 0.010 . . . . . . A 65 CYS HB2 . 34918 1 467 . 1 . 1 72 72 CYS C C 13 174.681 0.100 . . . . . . A 65 CYS C . 34918 1 468 . 1 . 1 72 72 CYS CA C 13 56.158 0.100 . . . . . . A 65 CYS CA . 34918 1 469 . 1 . 1 72 72 CYS CB C 13 45.477 0.100 . . . . . . A 65 CYS CB . 34918 1 470 . 1 . 1 72 72 CYS N N 15 118.535 0.050 . . . . . . A 65 CYS N . 34918 1 471 . 1 . 1 73 73 THR H H 1 8.044 0.010 . . . . . . A 66 THR H . 34918 1 472 . 1 . 1 73 73 THR CA C 13 59.911 0.100 . . . . . . A 66 THR CA . 34918 1 473 . 1 . 1 73 73 THR CB C 13 68.259 0.100 . . . . . . A 66 THR CB . 34918 1 474 . 1 . 1 73 73 THR N N 15 117.789 0.050 . . . . . . A 66 THR N . 34918 1 475 . 1 . 1 76 76 MET HE1 H 1 2.367 0.010 . . . . . . A 69 MET HE1 . 34918 1 476 . 1 . 1 76 76 MET HE2 H 1 2.367 0.010 . . . . . . A 69 MET HE2 . 34918 1 477 . 1 . 1 76 76 MET HE3 H 1 2.367 0.010 . . . . . . A 69 MET HE3 . 34918 1 478 . 1 . 1 85 85 HIS C C 13 175.573 0.100 . . . . . . A 78 HIS C . 34918 1 479 . 1 . 1 86 86 THR H H 1 8.259 0.010 . . . . . . A 79 THR H . 34918 1 480 . 1 . 1 86 86 THR HA H 1 4.291 0.010 . . . . . . A 79 THR HA . 34918 1 481 . 1 . 1 86 86 THR HG21 H 1 1.208 0.010 . . . . . . A 79 THR HG21 . 34918 1 482 . 1 . 1 86 86 THR HG22 H 1 1.208 0.010 . . . . . . A 79 THR HG22 . 34918 1 483 . 1 . 1 86 86 THR HG23 H 1 1.208 0.010 . . . . . . A 79 THR HG23 . 34918 1 484 . 1 . 1 86 86 THR C C 13 173.755 0.100 . . . . . . A 79 THR C . 34918 1 485 . 1 . 1 86 86 THR CA C 13 61.217 0.100 . . . . . . A 79 THR CA . 34918 1 486 . 1 . 1 86 86 THR CB C 13 70.310 0.100 . . . . . . A 79 THR CB . 34918 1 487 . 1 . 1 86 86 THR CG2 C 13 21.723 0.100 . . . . . . A 79 THR CG2 . 34918 1 488 . 1 . 1 86 86 THR N N 15 114.488 0.050 . . . . . . A 79 THR N . 34918 1 489 . 1 . 1 87 87 TYR H H 1 8.431 0.010 . . . . . . A 80 TYR H . 34918 1 490 . 1 . 1 87 87 TYR HA H 1 4.612 0.010 . . . . . . A 80 TYR HA . 34918 1 491 . 1 . 1 87 87 TYR HB2 H 1 3.077 0.010 . . . . . . A 80 TYR HB2 . 34918 1 492 . 1 . 1 87 87 TYR HB3 H 1 2.964 0.010 . . . . . . A 80 TYR HB3 . 34918 1 493 . 1 . 1 87 87 TYR HD1 H 1 7.135 0.010 . 3 . . . . A 80 TYR HD1 . 34918 1 494 . 1 . 1 87 87 TYR HD2 H 1 7.135 0.010 . 3 . . . . A 80 TYR HD2 . 34918 1 495 . 1 . 1 87 87 TYR HE1 H 1 6.804 0.010 . 3 . . . . A 80 TYR HE1 . 34918 1 496 . 1 . 1 87 87 TYR HE2 H 1 6.804 0.010 . 3 . . . . A 80 TYR HE2 . 34918 1 497 . 1 . 1 87 87 TYR C C 13 175.584 0.100 . . . . . . A 80 TYR C . 34918 1 498 . 1 . 1 87 87 TYR CA C 13 58.288 0.100 . . . . . . A 80 TYR CA . 34918 1 499 . 1 . 1 87 87 TYR CB C 13 39.167 0.100 . . . . . . A 80 TYR CB . 34918 1 500 . 1 . 1 87 87 TYR CD1 C 13 133.416 0.100 . . . . . . A 80 TYR CD1 . 34918 1 501 . 1 . 1 87 87 TYR CE1 C 13 118.377 0.100 . . . . . . A 80 TYR CE1 . 34918 1 502 . 1 . 1 87 87 TYR N N 15 122.177 0.050 . . . . . . A 80 TYR N . 34918 1 503 . 1 . 1 88 88 GLU H H 1 8.436 0.010 . . . . . . A 81 GLU H . 34918 1 504 . 1 . 1 88 88 GLU HA H 1 4.259 0.010 . . . . . . A 81 GLU HA . 34918 1 505 . 1 . 1 88 88 GLU HB2 H 1 2.050 0.010 . . . . . . A 81 GLU HB2 . 34918 1 506 . 1 . 1 88 88 GLU HB3 H 1 1.914 0.010 . . . . . . A 81 GLU HB3 . 34918 1 507 . 1 . 1 88 88 GLU HG2 H 1 2.237 0.010 . . . . . . A 81 GLU HG2 . 34918 1 508 . 1 . 1 88 88 GLU C C 13 176.640 0.100 . . . . . . A 81 GLU C . 34918 1 509 . 1 . 1 88 88 GLU CA C 13 56.723 0.100 . . . . . . A 81 GLU CA . 34918 1 510 . 1 . 1 88 88 GLU CB C 13 30.436 0.100 . . . . . . A 81 GLU CB . 34918 1 511 . 1 . 1 88 88 GLU CG C 13 36.300 0.100 . . . . . . A 81 GLU CG . 34918 1 512 . 1 . 1 88 88 GLU N N 15 123.143 0.050 . . . . . . A 81 GLU N . 34918 1 513 . 1 . 1 89 89 GLY H H 1 7.848 0.010 . . . . . . A 82 GLY H . 34918 1 514 . 1 . 1 89 89 GLY HA3 H 1 3.901 0.010 . . . . . . A 82 GLY HA3 . 34918 1 515 . 1 . 1 89 89 GLY C C 13 173.885 0.100 . . . . . . A 82 GLY C . 34918 1 516 . 1 . 1 89 89 GLY CA C 13 45.575 0.100 . . . . . . A 82 GLY CA . 34918 1 517 . 1 . 1 89 89 GLY N N 15 109.099 0.050 . . . . . . A 82 GLY N . 34918 1 518 . 1 . 1 90 90 ASP H H 1 8.184 0.010 . . . . . . A 83 ASP H . 34918 1 519 . 1 . 1 90 90 ASP HA H 1 4.593 0.010 . . . . . . A 83 ASP HA . 34918 1 520 . 1 . 1 90 90 ASP HB2 H 1 2.681 0.010 . . . . . . A 83 ASP HB2 . 34918 1 521 . 1 . 1 90 90 ASP C C 13 176.572 0.100 . . . . . . A 83 ASP C . 34918 1 522 . 1 . 1 90 90 ASP CA C 13 54.501 0.100 . . . . . . A 83 ASP CA . 34918 1 523 . 1 . 1 90 90 ASP CB C 13 41.274 0.100 . . . . . . A 83 ASP CB . 34918 1 524 . 1 . 1 90 90 ASP N N 15 120.392 0.050 . . . . . . A 83 ASP N . 34918 1 525 . 1 . 1 91 91 LYS H H 1 8.178 0.010 . . . . . . A 84 LYS H . 34918 1 526 . 1 . 1 91 91 LYS HA H 1 4.288 0.010 . . . . . . A 84 LYS HA . 34918 1 527 . 1 . 1 91 91 LYS HB2 H 1 1.807 0.010 . . . . . . A 84 LYS HB2 . 34918 1 528 . 1 . 1 91 91 LYS HB3 H 1 1.856 0.010 . . . . . . A 84 LYS HB3 . 34918 1 529 . 1 . 1 91 91 LYS HG2 H 1 1.434 0.010 . . . . . . A 84 LYS HG2 . 34918 1 530 . 1 . 1 91 91 LYS HG3 H 1 1.420 0.010 . . . . . . A 84 LYS HG3 . 34918 1 531 . 1 . 1 91 91 LYS HD2 H 1 1.679 0.010 . . . . . . A 84 LYS HD2 . 34918 1 532 . 1 . 1 91 91 LYS HE2 H 1 2.999 0.010 . . . . . . A 84 LYS HE2 . 34918 1 533 . 1 . 1 91 91 LYS C C 13 176.988 0.100 . . . . . . A 84 LYS C . 34918 1 534 . 1 . 1 91 91 LYS CA C 13 56.763 0.100 . . . . . . A 84 LYS CA . 34918 1 535 . 1 . 1 91 91 LYS CB C 13 32.996 0.100 . . . . . . A 84 LYS CB . 34918 1 536 . 1 . 1 91 91 LYS CG C 13 24.739 0.100 . . . . . . A 84 LYS CG . 34918 1 537 . 1 . 1 91 91 LYS CE C 13 42.173 0.100 . . . . . . A 84 LYS CE . 34918 1 538 . 1 . 1 91 91 LYS N N 15 121.002 0.050 . . . . . . A 84 LYS N . 34918 1 539 . 1 . 1 92 92 GLU H H 1 8.403 0.010 . . . . . . A 85 GLU H . 34918 1 540 . 1 . 1 92 92 GLU HA H 1 4.249 0.010 . . . . . . A 85 GLU HA . 34918 1 541 . 1 . 1 92 92 GLU HB2 H 1 2.072 0.010 . . . . . . A 85 GLU HB2 . 34918 1 542 . 1 . 1 92 92 GLU HB3 H 1 1.977 0.010 . . . . . . A 85 GLU HB3 . 34918 1 543 . 1 . 1 92 92 GLU HG2 H 1 2.275 0.010 . . . . . . A 85 GLU HG2 . 34918 1 544 . 1 . 1 92 92 GLU C C 13 176.979 0.100 . . . . . . A 85 GLU C . 34918 1 545 . 1 . 1 92 92 GLU CA C 13 57.238 0.100 . . . . . . A 85 GLU CA . 34918 1 546 . 1 . 1 92 92 GLU CB C 13 29.998 0.100 . . . . . . A 85 GLU CB . 34918 1 547 . 1 . 1 92 92 GLU CG C 13 36.422 0.100 . . . . . . A 85 GLU CG . 34918 1 548 . 1 . 1 92 92 GLU N N 15 120.911 0.050 . . . . . . A 85 GLU N . 34918 1 549 . 1 . 1 93 93 SER H H 1 8.170 0.010 . . . . . . A 86 SER H . 34918 1 550 . 1 . 1 93 93 SER HA H 1 4.412 0.010 . . . . . . A 86 SER HA . 34918 1 551 . 1 . 1 93 93 SER HB2 H 1 3.873 0.010 . . . . . . A 86 SER HB2 . 34918 1 552 . 1 . 1 93 93 SER HB3 H 1 3.907 0.010 . . . . . . A 86 SER HB3 . 34918 1 553 . 1 . 1 93 93 SER C C 13 174.702 0.100 . . . . . . A 86 SER C . 34918 1 554 . 1 . 1 93 93 SER CA C 13 58.609 0.100 . . . . . . A 86 SER CA . 34918 1 555 . 1 . 1 93 93 SER CB C 13 63.897 0.100 . . . . . . A 86 SER CB . 34918 1 556 . 1 . 1 93 93 SER N N 15 115.941 0.050 . . . . . . A 86 SER N . 34918 1 557 . 1 . 1 94 94 ALA H H 1 8.232 0.010 . . . . . . A 87 ALA H . 34918 1 558 . 1 . 1 94 94 ALA HA H 1 4.338 0.010 . . . . . . A 87 ALA HA . 34918 1 559 . 1 . 1 94 94 ALA HB1 H 1 1.410 0.010 . . . . . . A 87 ALA HB1 . 34918 1 560 . 1 . 1 94 94 ALA HB2 H 1 1.410 0.010 . . . . . . A 87 ALA HB2 . 34918 1 561 . 1 . 1 94 94 ALA HB3 H 1 1.410 0.010 . . . . . . A 87 ALA HB3 . 34918 1 562 . 1 . 1 94 94 ALA C C 13 177.934 0.100 . . . . . . A 87 ALA C . 34918 1 563 . 1 . 1 94 94 ALA CA C 13 52.936 0.100 . . . . . . A 87 ALA CA . 34918 1 564 . 1 . 1 94 94 ALA CB C 13 19.136 0.100 . . . . . . A 87 ALA CB . 34918 1 565 . 1 . 1 94 94 ALA N N 15 125.585 0.050 . . . . . . A 87 ALA N . 34918 1 566 . 1 . 1 95 95 GLN H H 1 8.225 0.010 . . . . . . A 88 GLN H . 34918 1 567 . 1 . 1 95 95 GLN HA H 1 4.326 0.010 . . . . . . A 88 GLN HA . 34918 1 568 . 1 . 1 95 95 GLN HB2 H 1 2.160 0.010 . . . . . . A 88 GLN HB2 . 34918 1 569 . 1 . 1 95 95 GLN HB3 H 1 2.009 0.010 . . . . . . A 88 GLN HB3 . 34918 1 570 . 1 . 1 95 95 GLN HG2 H 1 2.379 0.010 . . . . . . A 88 GLN HG2 . 34918 1 571 . 1 . 1 95 95 GLN C C 13 176.636 0.100 . . . . . . A 88 GLN C . 34918 1 572 . 1 . 1 95 95 GLN CA C 13 56.231 0.100 . . . . . . A 88 GLN CA . 34918 1 573 . 1 . 1 95 95 GLN CB C 13 29.341 0.100 . . . . . . A 88 GLN CB . 34918 1 574 . 1 . 1 95 95 GLN CG C 13 33.926 0.100 . . . . . . A 88 GLN CG . 34918 1 575 . 1 . 1 95 95 GLN N N 15 118.507 0.050 . . . . . . A 88 GLN N . 34918 1 576 . 1 . 1 96 96 GLY H H 1 8.304 0.010 . . . . . . A 89 GLY H . 34918 1 577 . 1 . 1 96 96 GLY HA3 H 1 3.978 0.010 . . . . . . A 89 GLY HA3 . 34918 1 578 . 1 . 1 96 96 GLY C C 13 174.685 0.100 . . . . . . A 89 GLY C . 34918 1 579 . 1 . 1 96 96 GLY CA C 13 45.466 0.100 . . . . . . A 89 GLY CA . 34918 1 580 . 1 . 1 96 96 GLY N N 15 109.439 0.050 . . . . . . A 89 GLY N . 34918 1 581 . 1 . 1 97 97 GLY H H 1 8.212 0.010 . . . . . . A 90 GLY H . 34918 1 582 . 1 . 1 97 97 GLY HA3 H 1 3.992 0.010 . . . . . . A 90 GLY HA3 . 34918 1 583 . 1 . 1 97 97 GLY C C 13 174.356 0.100 . . . . . . A 90 GLY C . 34918 1 584 . 1 . 1 97 97 GLY CA C 13 45.375 0.100 . . . . . . A 90 GLY CA . 34918 1 585 . 1 . 1 97 97 GLY N N 15 108.682 0.050 . . . . . . A 90 GLY N . 34918 1 586 . 1 . 1 98 98 ILE H H 1 7.993 0.010 . . . . . . A 91 ILE H . 34918 1 587 . 1 . 1 98 98 ILE HA H 1 4.210 0.010 . . . . . . A 91 ILE HA . 34918 1 588 . 1 . 1 98 98 ILE HB H 1 1.911 0.010 . . . . . . A 91 ILE HB . 34918 1 589 . 1 . 1 98 98 ILE HG12 H 1 1.465 0.010 . . . . . . A 91 ILE HG12 . 34918 1 590 . 1 . 1 98 98 ILE HG13 H 1 1.195 0.010 . . . . . . A 91 ILE HG13 . 34918 1 591 . 1 . 1 98 98 ILE HG21 H 1 0.926 0.010 . . . . . . A 91 ILE HG21 . 34918 1 592 . 1 . 1 98 98 ILE HG22 H 1 0.926 0.010 . . . . . . A 91 ILE HG22 . 34918 1 593 . 1 . 1 98 98 ILE HG23 H 1 0.926 0.010 . . . . . . A 91 ILE HG23 . 34918 1 594 . 1 . 1 98 98 ILE HD11 H 1 0.862 0.010 . . . . . . A 91 ILE HD11 . 34918 1 595 . 1 . 1 98 98 ILE HD12 H 1 0.862 0.010 . . . . . . A 91 ILE HD12 . 34918 1 596 . 1 . 1 98 98 ILE HD13 H 1 0.862 0.010 . . . . . . A 91 ILE HD13 . 34918 1 597 . 1 . 1 98 98 ILE C C 13 176.860 0.100 . . . . . . A 91 ILE C . 34918 1 598 . 1 . 1 98 98 ILE CA C 13 61.512 0.100 . . . . . . A 91 ILE CA . 34918 1 599 . 1 . 1 98 98 ILE CB C 13 38.755 0.100 . . . . . . A 91 ILE CB . 34918 1 600 . 1 . 1 98 98 ILE CG1 C 13 27.193 0.100 . . . . . . A 91 ILE CG1 . 34918 1 601 . 1 . 1 98 98 ILE CG2 C 13 17.612 0.100 . . . . . . A 91 ILE CG2 . 34918 1 602 . 1 . 1 98 98 ILE CD1 C 13 13.144 0.100 . . . . . . A 91 ILE CD1 . 34918 1 603 . 1 . 1 98 98 ILE N N 15 119.445 0.050 . . . . . . A 91 ILE N . 34918 1 604 . 1 . 1 99 99 GLY H H 1 8.422 0.010 . . . . . . A 92 GLY H . 34918 1 605 . 1 . 1 99 99 GLY HA3 H 1 3.948 0.010 . . . . . . A 92 GLY HA3 . 34918 1 606 . 1 . 1 99 99 GLY C C 13 173.981 0.100 . . . . . . A 92 GLY C . 34918 1 607 . 1 . 1 99 99 GLY CA C 13 45.362 0.100 . . . . . . A 92 GLY CA . 34918 1 608 . 1 . 1 99 99 GLY N N 15 112.195 0.050 . . . . . . A 92 GLY N . 34918 1 609 . 1 . 1 100 100 GLU H H 1 8.122 0.010 . . . . . . A 93 GLU H . 34918 1 610 . 1 . 1 100 100 GLU HA H 1 4.309 0.010 . . . . . . A 93 GLU HA . 34918 1 611 . 1 . 1 100 100 GLU HB2 H 1 2.051 0.010 . . . . . . A 93 GLU HB2 . 34918 1 612 . 1 . 1 100 100 GLU HB3 H 1 1.920 0.010 . . . . . . A 93 GLU HB3 . 34918 1 613 . 1 . 1 100 100 GLU HG2 H 1 2.240 0.010 . . . . . . A 93 GLU HG2 . 34918 1 614 . 1 . 1 100 100 GLU C C 13 176.034 0.100 . . . . . . A 93 GLU C . 34918 1 615 . 1 . 1 100 100 GLU CA C 13 56.426 0.100 . . . . . . A 93 GLU CA . 34918 1 616 . 1 . 1 100 100 GLU CB C 13 30.547 0.100 . . . . . . A 93 GLU CB . 34918 1 617 . 1 . 1 100 100 GLU CG C 13 36.305 0.100 . . . . . . A 93 GLU CG . 34918 1 618 . 1 . 1 100 100 GLU N N 15 120.625 0.050 . . . . . . A 93 GLU N . 34918 1 619 . 1 . 1 101 101 ALA H H 1 8.232 0.010 . . . . . . A 94 ALA H . 34918 1 620 . 1 . 1 101 101 ALA HA H 1 4.396 0.010 . . . . . . A 94 ALA HA . 34918 1 621 . 1 . 1 101 101 ALA HB1 H 1 1.370 0.010 . . . . . . A 94 ALA HB1 . 34918 1 622 . 1 . 1 101 101 ALA HB2 H 1 1.370 0.010 . . . . . . A 94 ALA HB2 . 34918 1 623 . 1 . 1 101 101 ALA HB3 H 1 1.370 0.010 . . . . . . A 94 ALA HB3 . 34918 1 624 . 1 . 1 101 101 ALA C C 13 177.329 0.100 . . . . . . A 94 ALA C . 34918 1 625 . 1 . 1 101 101 ALA CA C 13 52.269 0.100 . . . . . . A 94 ALA CA . 34918 1 626 . 1 . 1 101 101 ALA CB C 13 19.447 0.100 . . . . . . A 94 ALA CB . 34918 1 627 . 1 . 1 101 101 ALA N N 15 125.352 0.050 . . . . . . A 94 ALA N . 34918 1 628 . 1 . 1 102 102 ILE H H 1 8.155 0.010 . . . . . . A 95 ILE H . 34918 1 629 . 1 . 1 102 102 ILE HA H 1 4.203 0.010 . . . . . . A 95 ILE HA . 34918 1 630 . 1 . 1 102 102 ILE HB H 1 1.855 0.010 . . . . . . A 95 ILE HB . 34918 1 631 . 1 . 1 102 102 ILE HG12 H 1 1.198 0.010 . . . . . . A 95 ILE HG12 . 34918 1 632 . 1 . 1 102 102 ILE HG13 H 1 1.470 0.010 . . . . . . A 95 ILE HG13 . 34918 1 633 . 1 . 1 102 102 ILE HG21 H 1 0.883 0.010 . . . . . . A 95 ILE HG21 . 34918 1 634 . 1 . 1 102 102 ILE HG22 H 1 0.883 0.010 . . . . . . A 95 ILE HG22 . 34918 1 635 . 1 . 1 102 102 ILE HG23 H 1 0.883 0.010 . . . . . . A 95 ILE HG23 . 34918 1 636 . 1 . 1 102 102 ILE HD11 H 1 0.859 0.010 . . . . . . A 95 ILE HD11 . 34918 1 637 . 1 . 1 102 102 ILE HD12 H 1 0.859 0.010 . . . . . . A 95 ILE HD12 . 34918 1 638 . 1 . 1 102 102 ILE HD13 H 1 0.859 0.010 . . . . . . A 95 ILE HD13 . 34918 1 639 . 1 . 1 102 102 ILE C C 13 175.483 0.100 . . . . . . A 95 ILE C . 34918 1 640 . 1 . 1 102 102 ILE CA C 13 60.769 0.100 . . . . . . A 95 ILE CA . 34918 1 641 . 1 . 1 102 102 ILE CB C 13 38.886 0.100 . . . . . . A 95 ILE CB . 34918 1 642 . 1 . 1 102 102 ILE CG1 C 13 27.309 0.100 . . . . . . A 95 ILE CG1 . 34918 1 643 . 1 . 1 102 102 ILE CG2 C 13 17.936 0.100 . . . . . . A 95 ILE CG2 . 34918 1 644 . 1 . 1 102 102 ILE CD1 C 13 13.158 0.100 . . . . . . A 95 ILE CD1 . 34918 1 645 . 1 . 1 102 102 ILE N N 15 120.678 0.050 . . . . . . A 95 ILE N . 34918 1 646 . 1 . 1 103 103 VAL H H 1 8.242 0.010 . . . . . . A 96 VAL H . 34918 1 647 . 1 . 1 103 103 VAL HA H 1 4.230 0.010 . . . . . . A 96 VAL HA . 34918 1 648 . 1 . 1 103 103 VAL HB H 1 2.090 0.010 . . . . . . A 96 VAL HB . 34918 1 649 . 1 . 1 103 103 VAL HG11 H 1 0.967 0.010 . . . . . . A 96 VAL HG11 . 34918 1 650 . 1 . 1 103 103 VAL HG12 H 1 0.967 0.010 . . . . . . A 96 VAL HG12 . 34918 1 651 . 1 . 1 103 103 VAL HG13 H 1 0.967 0.010 . . . . . . A 96 VAL HG13 . 34918 1 652 . 1 . 1 103 103 VAL HG21 H 1 0.889 0.010 . . . . . . A 96 VAL HG21 . 34918 1 653 . 1 . 1 103 103 VAL HG22 H 1 0.889 0.010 . . . . . . A 96 VAL HG22 . 34918 1 654 . 1 . 1 103 103 VAL HG23 H 1 0.889 0.010 . . . . . . A 96 VAL HG23 . 34918 1 655 . 1 . 1 103 103 VAL C C 13 174.301 0.100 . . . . . . A 96 VAL C . 34918 1 656 . 1 . 1 103 103 VAL CA C 13 62.389 0.100 . . . . . . A 96 VAL CA . 34918 1 657 . 1 . 1 103 103 VAL CB C 13 33.316 0.100 . . . . . . A 96 VAL CB . 34918 1 658 . 1 . 1 103 103 VAL CG1 C 13 20.788 0.100 . . . . . . A 96 VAL CG1 . 34918 1 659 . 1 . 1 103 103 VAL CG2 C 13 21.462 0.100 . . . . . . A 96 VAL CG2 . 34918 1 660 . 1 . 1 103 103 VAL N N 15 123.235 0.050 . . . . . . A 96 VAL N . 34918 1 661 . 1 . 1 104 104 ASP H H 1 8.038 0.010 . . . . . . A 97 ASP H . 34918 1 662 . 1 . 1 104 104 ASP HA H 1 4.993 0.010 . . . . . . A 97 ASP HA . 34918 1 663 . 1 . 1 104 104 ASP HB2 H 1 2.554 0.010 . . . . . . A 97 ASP HB2 . 34918 1 664 . 1 . 1 104 104 ASP HB3 H 1 2.509 0.010 . . . . . . A 97 ASP HB3 . 34918 1 665 . 1 . 1 104 104 ASP C C 13 174.461 0.100 . . . . . . A 97 ASP C . 34918 1 666 . 1 . 1 104 104 ASP CA C 13 52.890 0.100 . . . . . . A 97 ASP CA . 34918 1 667 . 1 . 1 104 104 ASP CB C 13 44.298 0.100 . . . . . . A 97 ASP CB . 34918 1 668 . 1 . 1 104 104 ASP N N 15 122.140 0.050 . . . . . . A 97 ASP N . 34918 1 669 . 1 . 1 105 105 ILE H H 1 7.216 0.010 . . . . . . A 98 ILE H . 34918 1 670 . 1 . 1 105 105 ILE HA H 1 4.227 0.010 . . . . . . A 98 ILE HA . 34918 1 671 . 1 . 1 105 105 ILE HB H 1 0.839 0.010 . . . . . . A 98 ILE HB . 34918 1 672 . 1 . 1 105 105 ILE HG12 H 1 0.567 0.010 . . . . . . A 98 ILE HG12 . 34918 1 673 . 1 . 1 105 105 ILE HG13 H 1 0.484 0.010 . . . . . . A 98 ILE HG13 . 34918 1 674 . 1 . 1 105 105 ILE HG21 H 1 0.636 0.010 . . . . . . A 98 ILE HG21 . 34918 1 675 . 1 . 1 105 105 ILE HG22 H 1 0.636 0.010 . . . . . . A 98 ILE HG22 . 34918 1 676 . 1 . 1 105 105 ILE HG23 H 1 0.636 0.010 . . . . . . A 98 ILE HG23 . 34918 1 677 . 1 . 1 105 105 ILE HD11 H 1 0.273 0.010 . . . . . . A 98 ILE HD11 . 34918 1 678 . 1 . 1 105 105 ILE HD12 H 1 0.273 0.010 . . . . . . A 98 ILE HD12 . 34918 1 679 . 1 . 1 105 105 ILE HD13 H 1 0.273 0.010 . . . . . . A 98 ILE HD13 . 34918 1 680 . 1 . 1 105 105 ILE C C 13 173.691 0.100 . . . . . . A 98 ILE C . 34918 1 681 . 1 . 1 105 105 ILE CA C 13 58.373 0.100 . . . . . . A 98 ILE CA . 34918 1 682 . 1 . 1 105 105 ILE CB C 13 38.410 0.100 . . . . . . A 98 ILE CB . 34918 1 683 . 1 . 1 105 105 ILE CG1 C 13 26.379 0.100 . . . . . . A 98 ILE CG1 . 34918 1 684 . 1 . 1 105 105 ILE CG2 C 13 17.142 0.100 . . . . . . A 98 ILE CG2 . 34918 1 685 . 1 . 1 105 105 ILE CD1 C 13 12.821 0.100 . . . . . . A 98 ILE CD1 . 34918 1 686 . 1 . 1 105 105 ILE N N 15 123.985 0.050 . . . . . . A 98 ILE N . 34918 1 687 . 1 . 1 106 106 PRO HA H 1 4.291 0.010 . . . . . . A 99 PRO HA . 34918 1 688 . 1 . 1 106 106 PRO HB2 H 1 1.842 0.010 . . . . . . A 99 PRO HB2 . 34918 1 689 . 1 . 1 106 106 PRO HB3 H 1 2.305 0.010 . . . . . . A 99 PRO HB3 . 34918 1 690 . 1 . 1 106 106 PRO HG2 H 1 1.896 0.010 . . . . . . A 99 PRO HG2 . 34918 1 691 . 1 . 1 106 106 PRO HG3 H 1 1.979 0.010 . . . . . . A 99 PRO HG3 . 34918 1 692 . 1 . 1 106 106 PRO HD2 H 1 3.435 0.010 . . . . . . A 99 PRO HD2 . 34918 1 693 . 1 . 1 106 106 PRO HD3 H 1 3.805 0.010 . . . . . . A 99 PRO HD3 . 34918 1 694 . 1 . 1 106 106 PRO C C 13 177.543 0.100 . . . . . . A 99 PRO C . 34918 1 695 . 1 . 1 106 106 PRO CA C 13 64.563 0.100 . . . . . . A 99 PRO CA . 34918 1 696 . 1 . 1 106 106 PRO CB C 13 31.890 0.100 . . . . . . A 99 PRO CB . 34918 1 697 . 1 . 1 106 106 PRO CG C 13 27.192 0.100 . . . . . . A 99 PRO CG . 34918 1 698 . 1 . 1 106 106 PRO CD C 13 50.840 0.100 . . . . . . A 99 PRO CD . 34918 1 699 . 1 . 1 107 107 GLU H H 1 8.659 0.010 . . . . . . A 100 GLU H . 34918 1 700 . 1 . 1 107 107 GLU HA H 1 4.057 0.010 . . . . . . A 100 GLU HA . 34918 1 701 . 1 . 1 107 107 GLU HB2 H 1 1.907 0.010 . . . . . . A 100 GLU HB2 . 34918 1 702 . 1 . 1 107 107 GLU HB3 H 1 2.032 0.010 . . . . . . A 100 GLU HB3 . 34918 1 703 . 1 . 1 107 107 GLU HG2 H 1 2.351 0.010 . . . . . . A 100 GLU HG2 . 34918 1 704 . 1 . 1 107 107 GLU HG3 H 1 2.202 0.010 . . . . . . A 100 GLU HG3 . 34918 1 705 . 1 . 1 107 107 GLU C C 13 175.950 0.100 . . . . . . A 100 GLU C . 34918 1 706 . 1 . 1 107 107 GLU CA C 13 58.804 0.100 . . . . . . A 100 GLU CA . 34918 1 707 . 1 . 1 107 107 GLU CB C 13 29.174 0.100 . . . . . . A 100 GLU CB . 34918 1 708 . 1 . 1 107 107 GLU CG C 13 37.188 0.100 . . . . . . A 100 GLU CG . 34918 1 709 . 1 . 1 107 107 GLU N N 15 115.236 0.050 . . . . . . A 100 GLU N . 34918 1 710 . 1 . 1 108 108 ILE H H 1 7.839 0.010 . . . . . . A 101 ILE H . 34918 1 711 . 1 . 1 108 108 ILE HA H 1 4.555 0.010 . . . . . . A 101 ILE HA . 34918 1 712 . 1 . 1 108 108 ILE HB H 1 1.906 0.010 . . . . . . A 101 ILE HB . 34918 1 713 . 1 . 1 108 108 ILE HG21 H 1 0.986 0.010 . . . . . . A 101 ILE HG21 . 34918 1 714 . 1 . 1 108 108 ILE HG22 H 1 0.986 0.010 . . . . . . A 101 ILE HG22 . 34918 1 715 . 1 . 1 108 108 ILE HG23 H 1 0.986 0.010 . . . . . . A 101 ILE HG23 . 34918 1 716 . 1 . 1 108 108 ILE HD11 H 1 0.734 0.010 . . . . . . A 101 ILE HD11 . 34918 1 717 . 1 . 1 108 108 ILE HD12 H 1 0.734 0.010 . . . . . . A 101 ILE HD12 . 34918 1 718 . 1 . 1 108 108 ILE HD13 H 1 0.734 0.010 . . . . . . A 101 ILE HD13 . 34918 1 719 . 1 . 1 108 108 ILE C C 13 172.952 0.100 . . . . . . A 101 ILE C . 34918 1 720 . 1 . 1 108 108 ILE CA C 13 58.148 0.100 . . . . . . A 101 ILE CA . 34918 1 721 . 1 . 1 108 108 ILE CB C 13 39.366 0.100 . . . . . . A 101 ILE CB . 34918 1 722 . 1 . 1 108 108 ILE CG2 C 13 17.610 0.100 . . . . . . A 101 ILE CG2 . 34918 1 723 . 1 . 1 108 108 ILE CD1 C 13 14.561 0.100 . . . . . . A 101 ILE CD1 . 34918 1 724 . 1 . 1 108 108 ILE N N 15 121.251 0.050 . . . . . . A 101 ILE N . 34918 1 725 . 1 . 1 109 109 PRO HA H 1 4.375 0.010 . . . . . . A 102 PRO HA . 34918 1 726 . 1 . 1 109 109 PRO HB2 H 1 2.320 0.010 . . . . . . A 102 PRO HB2 . 34918 1 727 . 1 . 1 109 109 PRO HB3 H 1 1.931 0.010 . . . . . . A 102 PRO HB3 . 34918 1 728 . 1 . 1 109 109 PRO HG2 H 1 2.147 0.010 . . . . . . A 102 PRO HG2 . 34918 1 729 . 1 . 1 109 109 PRO HG3 H 1 1.987 0.010 . . . . . . A 102 PRO HG3 . 34918 1 730 . 1 . 1 109 109 PRO HD2 H 1 3.936 0.010 . . . . . . A 102 PRO HD2 . 34918 1 731 . 1 . 1 109 109 PRO HD3 H 1 3.751 0.010 . . . . . . A 102 PRO HD3 . 34918 1 732 . 1 . 1 109 109 PRO C C 13 178.373 0.100 . . . . . . A 102 PRO C . 34918 1 733 . 1 . 1 109 109 PRO CA C 13 63.810 0.100 . . . . . . A 102 PRO CA . 34918 1 734 . 1 . 1 109 109 PRO CB C 13 31.721 0.100 . . . . . . A 102 PRO CB . 34918 1 735 . 1 . 1 109 109 PRO CG C 13 27.783 0.100 . . . . . . A 102 PRO CG . 34918 1 736 . 1 . 1 109 109 PRO CD C 13 51.076 0.100 . . . . . . A 102 PRO CD . 34918 1 737 . 1 . 1 110 110 GLY H H 1 8.941 0.010 . . . . . . A 103 GLY H . 34918 1 738 . 1 . 1 110 110 GLY HA3 H 1 3.966 0.010 . . . . . . A 103 GLY HA3 . 34918 1 739 . 1 . 1 110 110 GLY C C 13 176.112 0.100 . . . . . . A 103 GLY C . 34918 1 740 . 1 . 1 110 110 GLY CA C 13 46.149 0.100 . . . . . . A 103 GLY CA . 34918 1 741 . 1 . 1 110 110 GLY N N 15 111.221 0.050 . . . . . . A 103 GLY N . 34918 1 742 . 1 . 1 111 111 PHE H H 1 7.865 0.010 . . . . . . A 104 PHE H . 34918 1 743 . 1 . 1 111 111 PHE HA H 1 3.878 0.010 . . . . . . A 104 PHE HA . 34918 1 744 . 1 . 1 111 111 PHE HB2 H 1 3.173 0.010 . . . . . . A 104 PHE HB2 . 34918 1 745 . 1 . 1 111 111 PHE HB3 H 1 3.809 0.010 . . . . . . A 104 PHE HB3 . 34918 1 746 . 1 . 1 111 111 PHE C C 13 177.723 0.100 . . . . . . A 104 PHE C . 34918 1 747 . 1 . 1 111 111 PHE CA C 13 62.389 0.100 . . . . . . A 104 PHE CA . 34918 1 748 . 1 . 1 111 111 PHE CB C 13 40.073 0.100 . . . . . . A 104 PHE CB . 34918 1 749 . 1 . 1 111 111 PHE N N 15 119.865 0.050 . . . . . . A 104 PHE N . 34918 1 750 . 1 . 1 112 112 LYS H H 1 8.972 0.010 . . . . . . A 105 LYS H . 34918 1 751 . 1 . 1 112 112 LYS HA H 1 3.772 0.010 . . . . . . A 105 LYS HA . 34918 1 752 . 1 . 1 112 112 LYS HB2 H 1 1.858 0.010 . . . . . . A 105 LYS HB2 . 34918 1 753 . 1 . 1 112 112 LYS HE2 H 1 3.036 0.010 . . . . . . A 105 LYS HE2 . 34918 1 754 . 1 . 1 112 112 LYS C C 13 176.641 0.100 . . . . . . A 105 LYS C . 34918 1 755 . 1 . 1 112 112 LYS CA C 13 59.303 0.100 . . . . . . A 105 LYS CA . 34918 1 756 . 1 . 1 112 112 LYS CB C 13 31.820 0.100 . . . . . . A 105 LYS CB . 34918 1 757 . 1 . 1 112 112 LYS CE C 13 42.148 0.100 . . . . . . A 105 LYS CE . 34918 1 758 . 1 . 1 112 112 LYS N N 15 115.433 0.050 . . . . . . A 105 LYS N . 34918 1 759 . 1 . 1 113 113 ASP H H 1 7.542 0.010 . . . . . . A 106 ASP H . 34918 1 760 . 1 . 1 113 113 ASP HA H 1 4.713 0.010 . . . . . . A 106 ASP HA . 34918 1 761 . 1 . 1 113 113 ASP HB2 H 1 2.897 0.010 . . . . . . A 106 ASP HB2 . 34918 1 762 . 1 . 1 113 113 ASP HB3 H 1 2.432 0.010 . . . . . . A 106 ASP HB3 . 34918 1 763 . 1 . 1 113 113 ASP C C 13 176.040 0.100 . . . . . . A 106 ASP C . 34918 1 764 . 1 . 1 113 113 ASP CA C 13 54.412 0.100 . . . . . . A 106 ASP CA . 34918 1 765 . 1 . 1 113 113 ASP CB C 13 42.244 0.100 . . . . . . A 106 ASP CB . 34918 1 766 . 1 . 1 113 113 ASP N N 15 116.168 0.050 . . . . . . A 106 ASP N . 34918 1 767 . 1 . 1 114 114 LEU H H 1 7.099 0.010 . . . . . . A 107 LEU H . 34918 1 768 . 1 . 1 114 114 LEU HA H 1 4.211 0.010 . . . . . . A 107 LEU HA . 34918 1 769 . 1 . 1 114 114 LEU HB2 H 1 1.657 0.010 . . . . . . A 107 LEU HB2 . 34918 1 770 . 1 . 1 114 114 LEU HB3 H 1 1.447 0.010 . . . . . . A 107 LEU HB3 . 34918 1 771 . 1 . 1 114 114 LEU HD11 H 1 0.764 0.010 . . . . . . A 107 LEU HD11 . 34918 1 772 . 1 . 1 114 114 LEU HD12 H 1 0.764 0.010 . . . . . . A 107 LEU HD12 . 34918 1 773 . 1 . 1 114 114 LEU HD13 H 1 0.764 0.010 . . . . . . A 107 LEU HD13 . 34918 1 774 . 1 . 1 114 114 LEU HD21 H 1 0.809 0.010 . . . . . . A 107 LEU HD21 . 34918 1 775 . 1 . 1 114 114 LEU HD22 H 1 0.809 0.010 . . . . . . A 107 LEU HD22 . 34918 1 776 . 1 . 1 114 114 LEU HD23 H 1 0.809 0.010 . . . . . . A 107 LEU HD23 . 34918 1 777 . 1 . 1 114 114 LEU C C 13 176.813 0.100 . . . . . . A 107 LEU C . 34918 1 778 . 1 . 1 114 114 LEU CA C 13 54.704 0.100 . . . . . . A 107 LEU CA . 34918 1 779 . 1 . 1 114 114 LEU CB C 13 42.289 0.100 . . . . . . A 107 LEU CB . 34918 1 780 . 1 . 1 114 114 LEU CD1 C 13 25.108 0.100 . . . . . . A 107 LEU CD1 . 34918 1 781 . 1 . 1 114 114 LEU N N 15 120.972 0.050 . . . . . . A 107 LEU N . 34918 1 782 . 1 . 1 115 115 GLU H H 1 8.696 0.010 . . . . . . A 108 GLU H . 34918 1 783 . 1 . 1 115 115 GLU HA H 1 4.288 0.010 . . . . . . A 108 GLU HA . 34918 1 784 . 1 . 1 115 115 GLU HB2 H 1 1.767 0.010 . . . . . . A 108 GLU HB2 . 34918 1 785 . 1 . 1 115 115 GLU HB3 H 1 2.235 0.010 . . . . . . A 108 GLU HB3 . 34918 1 786 . 1 . 1 115 115 GLU C C 13 175.715 0.100 . . . . . . A 108 GLU C . 34918 1 787 . 1 . 1 115 115 GLU CA C 13 55.456 0.100 . . . . . . A 108 GLU CA . 34918 1 788 . 1 . 1 115 115 GLU CB C 13 28.005 0.100 . . . . . . A 108 GLU CB . 34918 1 789 . 1 . 1 115 115 GLU N N 15 119.920 0.050 . . . . . . A 108 GLU N . 34918 1 790 . 1 . 1 116 116 PRO HA H 1 4.222 0.010 . . . . . . A 109 PRO HA . 34918 1 791 . 1 . 1 116 116 PRO HB2 H 1 2.006 0.010 . . . . . . A 109 PRO HB2 . 34918 1 792 . 1 . 1 116 116 PRO HB3 H 1 2.435 0.010 . . . . . . A 109 PRO HB3 . 34918 1 793 . 1 . 1 116 116 PRO C C 13 177.985 0.100 . . . . . . A 109 PRO C . 34918 1 794 . 1 . 1 116 116 PRO CA C 13 66.636 0.100 . . . . . . A 109 PRO CA . 34918 1 795 . 1 . 1 116 116 PRO CB C 13 31.834 0.100 . . . . . . A 109 PRO CB . 34918 1 796 . 1 . 1 117 117 MET H H 1 8.903 0.010 . . . . . . A 110 MET H . 34918 1 797 . 1 . 1 117 117 MET HA H 1 4.541 0.010 . . . . . . A 110 MET HA . 34918 1 798 . 1 . 1 117 117 MET HB2 H 1 2.082 0.010 . . . . . . A 110 MET HB2 . 34918 1 799 . 1 . 1 117 117 MET HB3 H 1 2.151 0.010 . . . . . . A 110 MET HB3 . 34918 1 800 . 1 . 1 117 117 MET HG2 H 1 2.735 0.010 . . . . . . A 110 MET HG2 . 34918 1 801 . 1 . 1 117 117 MET C C 13 178.914 0.100 . . . . . . A 110 MET C . 34918 1 802 . 1 . 1 117 117 MET CA C 13 57.246 0.100 . . . . . . A 110 MET CA . 34918 1 803 . 1 . 1 117 117 MET CB C 13 30.927 0.100 . . . . . . A 110 MET CB . 34918 1 804 . 1 . 1 117 117 MET CG C 13 32.954 0.100 . . . . . . A 110 MET CG . 34918 1 805 . 1 . 1 117 117 MET N N 15 114.002 0.050 . . . . . . A 110 MET N . 34918 1 806 . 1 . 1 118 118 GLU H H 1 7.106 0.010 . . . . . . A 111 GLU H . 34918 1 807 . 1 . 1 118 118 GLU HA H 1 4.098 0.010 . . . . . . A 111 GLU HA . 34918 1 808 . 1 . 1 118 118 GLU HB2 H 1 2.401 0.010 . . . . . . A 111 GLU HB2 . 34918 1 809 . 1 . 1 118 118 GLU HB3 H 1 2.073 0.010 . . . . . . A 111 GLU HB3 . 34918 1 810 . 1 . 1 118 118 GLU C C 13 179.321 0.100 . . . . . . A 111 GLU C . 34918 1 811 . 1 . 1 118 118 GLU CA C 13 59.386 0.100 . . . . . . A 111 GLU CA . 34918 1 812 . 1 . 1 118 118 GLU CB C 13 30.199 0.100 . . . . . . A 111 GLU CB . 34918 1 813 . 1 . 1 118 118 GLU N N 15 118.189 0.050 . . . . . . A 111 GLU N . 34918 1 814 . 1 . 1 119 119 GLN H H 1 8.224 0.010 . . . . . . A 112 GLN H . 34918 1 815 . 1 . 1 119 119 GLN HA H 1 3.856 0.010 . . . . . . A 112 GLN HA . 34918 1 816 . 1 . 1 119 119 GLN C C 13 179.100 0.100 . . . . . . A 112 GLN C . 34918 1 817 . 1 . 1 119 119 GLN CA C 13 59.926 0.100 . . . . . . A 112 GLN CA . 34918 1 818 . 1 . 1 119 119 GLN CB C 13 29.911 0.100 . . . . . . A 112 GLN CB . 34918 1 819 . 1 . 1 119 119 GLN N N 15 119.086 0.050 . . . . . . A 112 GLN N . 34918 1 820 . 1 . 1 120 120 PHE H H 1 7.671 0.010 . . . . . . A 113 PHE H . 34918 1 821 . 1 . 1 120 120 PHE HA H 1 4.280 0.010 . . . . . . A 113 PHE HA . 34918 1 822 . 1 . 1 120 120 PHE HB2 H 1 3.073 0.010 . . . . . . A 113 PHE HB2 . 34918 1 823 . 1 . 1 120 120 PHE HB3 H 1 3.601 0.010 . . . . . . A 113 PHE HB3 . 34918 1 824 . 1 . 1 120 120 PHE C C 13 176.502 0.100 . . . . . . A 113 PHE C . 34918 1 825 . 1 . 1 120 120 PHE CA C 13 62.120 0.100 . . . . . . A 113 PHE CA . 34918 1 826 . 1 . 1 120 120 PHE CB C 13 39.576 0.100 . . . . . . A 113 PHE CB . 34918 1 827 . 1 . 1 120 120 PHE N N 15 119.203 0.050 . . . . . . A 113 PHE N . 34918 1 828 . 1 . 1 121 121 ILE H H 1 8.677 0.010 . . . . . . A 114 ILE H . 34918 1 829 . 1 . 1 121 121 ILE HA H 1 3.421 0.010 . . . . . . A 114 ILE HA . 34918 1 830 . 1 . 1 121 121 ILE HB H 1 1.926 0.010 . . . . . . A 114 ILE HB . 34918 1 831 . 1 . 1 121 121 ILE HG21 H 1 0.949 0.010 . . . . . . A 114 ILE HG21 . 34918 1 832 . 1 . 1 121 121 ILE HG22 H 1 0.949 0.010 . . . . . . A 114 ILE HG22 . 34918 1 833 . 1 . 1 121 121 ILE HG23 H 1 0.949 0.010 . . . . . . A 114 ILE HG23 . 34918 1 834 . 1 . 1 121 121 ILE C C 13 177.318 0.100 . . . . . . A 114 ILE C . 34918 1 835 . 1 . 1 121 121 ILE CA C 13 64.048 0.100 . . . . . . A 114 ILE CA . 34918 1 836 . 1 . 1 121 121 ILE CB C 13 37.848 0.100 . . . . . . A 114 ILE CB . 34918 1 837 . 1 . 1 121 121 ILE CG2 C 13 17.644 0.100 . . . . . . A 114 ILE CG2 . 34918 1 838 . 1 . 1 121 121 ILE N N 15 119.887 0.050 . . . . . . A 114 ILE N . 34918 1 839 . 1 . 1 122 122 ALA H H 1 8.642 0.010 . . . . . . A 115 ALA H . 34918 1 840 . 1 . 1 122 122 ALA HA H 1 4.197 0.010 . . . . . . A 115 ALA HA . 34918 1 841 . 1 . 1 122 122 ALA HB1 H 1 1.579 0.010 . . . . . . A 115 ALA HB1 . 34918 1 842 . 1 . 1 122 122 ALA HB2 H 1 1.579 0.010 . . . . . . A 115 ALA HB2 . 34918 1 843 . 1 . 1 122 122 ALA HB3 H 1 1.579 0.010 . . . . . . A 115 ALA HB3 . 34918 1 844 . 1 . 1 122 122 ALA C C 13 180.255 0.100 . . . . . . A 115 ALA C . 34918 1 845 . 1 . 1 122 122 ALA CA C 13 54.952 0.100 . . . . . . A 115 ALA CA . 34918 1 846 . 1 . 1 122 122 ALA CB C 13 18.761 0.100 . . . . . . A 115 ALA CB . 34918 1 847 . 1 . 1 122 122 ALA N N 15 119.273 0.050 . . . . . . A 115 ALA N . 34918 1 848 . 1 . 1 123 123 GLN H H 1 6.984 0.010 . . . . . . A 116 GLN H . 34918 1 849 . 1 . 1 123 123 GLN HA H 1 4.015 0.010 . . . . . . A 116 GLN HA . 34918 1 850 . 1 . 1 123 123 GLN HB2 H 1 2.167 0.010 . . . . . . A 116 GLN HB2 . 34918 1 851 . 1 . 1 123 123 GLN HE21 H 1 7.037 0.010 . . . . . . A 116 GLN HE21 . 34918 1 852 . 1 . 1 123 123 GLN C C 13 178.636 0.100 . . . . . . A 116 GLN C . 34918 1 853 . 1 . 1 123 123 GLN CA C 13 59.649 0.100 . . . . . . A 116 GLN CA . 34918 1 854 . 1 . 1 123 123 GLN CB C 13 31.620 0.100 . . . . . . A 116 GLN CB . 34918 1 855 . 1 . 1 123 123 GLN N N 15 112.897 0.050 . . . . . . A 116 GLN N . 34918 1 856 . 1 . 1 123 123 GLN NE2 N 15 116.719 0.050 . . . . . . A 116 GLN NE2 . 34918 1 857 . 1 . 1 124 124 VAL H H 1 7.799 0.010 . . . . . . A 117 VAL H . 34918 1 858 . 1 . 1 124 124 VAL HA H 1 3.196 0.010 . . . . . . A 117 VAL HA . 34918 1 859 . 1 . 1 124 124 VAL HB H 1 2.089 0.010 . . . . . . A 117 VAL HB . 34918 1 860 . 1 . 1 124 124 VAL HG11 H 1 0.875 0.010 . . . . . . A 117 VAL HG11 . 34918 1 861 . 1 . 1 124 124 VAL HG12 H 1 0.875 0.010 . . . . . . A 117 VAL HG12 . 34918 1 862 . 1 . 1 124 124 VAL HG13 H 1 0.875 0.010 . . . . . . A 117 VAL HG13 . 34918 1 863 . 1 . 1 124 124 VAL HG21 H 1 0.499 0.010 . . . . . . A 117 VAL HG21 . 34918 1 864 . 1 . 1 124 124 VAL HG22 H 1 0.499 0.010 . . . . . . A 117 VAL HG22 . 34918 1 865 . 1 . 1 124 124 VAL HG23 H 1 0.499 0.010 . . . . . . A 117 VAL HG23 . 34918 1 866 . 1 . 1 124 124 VAL C C 13 179.622 0.100 . . . . . . A 117 VAL C . 34918 1 867 . 1 . 1 124 124 VAL CA C 13 67.323 0.100 . . . . . . A 117 VAL CA . 34918 1 868 . 1 . 1 124 124 VAL CB C 13 31.186 0.100 . . . . . . A 117 VAL CB . 34918 1 869 . 1 . 1 124 124 VAL CG1 C 13 22.181 0.100 . . . . . . A 117 VAL CG1 . 34918 1 870 . 1 . 1 124 124 VAL CG2 C 13 23.509 0.100 . . . . . . A 117 VAL CG2 . 34918 1 871 . 1 . 1 124 124 VAL N N 15 122.932 0.050 . . . . . . A 117 VAL N . 34918 1 872 . 1 . 1 125 125 ASP H H 1 8.540 0.010 . . . . . . A 118 ASP H . 34918 1 873 . 1 . 1 125 125 ASP HA H 1 4.296 0.010 . . . . . . A 118 ASP HA . 34918 1 874 . 1 . 1 125 125 ASP HB2 H 1 2.715 0.010 . . . . . . A 118 ASP HB2 . 34918 1 875 . 1 . 1 125 125 ASP HB3 H 1 2.591 0.010 . . . . . . A 118 ASP HB3 . 34918 1 876 . 1 . 1 125 125 ASP C C 13 177.749 0.100 . . . . . . A 118 ASP C . 34918 1 877 . 1 . 1 125 125 ASP CA C 13 56.494 0.100 . . . . . . A 118 ASP CA . 34918 1 878 . 1 . 1 125 125 ASP CB C 13 40.390 0.100 . . . . . . A 118 ASP CB . 34918 1 879 . 1 . 1 125 125 ASP N N 15 119.267 0.050 . . . . . . A 118 ASP N . 34918 1 880 . 1 . 1 126 126 LEU H H 1 7.037 0.010 . . . . . . A 119 LEU H . 34918 1 881 . 1 . 1 126 126 LEU HA H 1 4.235 0.010 . . . . . . A 119 LEU HA . 34918 1 882 . 1 . 1 126 126 LEU HB2 H 1 1.934 0.010 . . . . . . A 119 LEU HB2 . 34918 1 883 . 1 . 1 126 126 LEU HB3 H 1 1.602 0.010 . . . . . . A 119 LEU HB3 . 34918 1 884 . 1 . 1 126 126 LEU HD11 H 1 0.819 0.010 . . . . . . A 119 LEU HD11 . 34918 1 885 . 1 . 1 126 126 LEU HD12 H 1 0.819 0.010 . . . . . . A 119 LEU HD12 . 34918 1 886 . 1 . 1 126 126 LEU HD13 H 1 0.819 0.010 . . . . . . A 119 LEU HD13 . 34918 1 887 . 1 . 1 126 126 LEU C C 13 178.975 0.100 . . . . . . A 119 LEU C . 34918 1 888 . 1 . 1 126 126 LEU CA C 13 55.820 0.100 . . . . . . A 119 LEU CA . 34918 1 889 . 1 . 1 126 126 LEU CB C 13 41.894 0.100 . . . . . . A 119 LEU CB . 34918 1 890 . 1 . 1 126 126 LEU CD1 C 13 22.527 0.100 . . . . . . A 119 LEU CD1 . 34918 1 891 . 1 . 1 126 126 LEU N N 15 116.727 0.050 . . . . . . A 119 LEU N . 34918 1 892 . 1 . 1 127 127 CYS H H 1 7.911 0.010 . . . . . . A 120 CYS H . 34918 1 893 . 1 . 1 127 127 CYS HA H 1 5.210 0.010 . . . . . . A 120 CYS HA . 34918 1 894 . 1 . 1 127 127 CYS HB2 H 1 3.303 0.010 . . . . . . A 120 CYS HB2 . 34918 1 895 . 1 . 1 127 127 CYS HB3 H 1 3.238 0.010 . . . . . . A 120 CYS HB3 . 34918 1 896 . 1 . 1 127 127 CYS C C 13 177.040 0.100 . . . . . . A 120 CYS C . 34918 1 897 . 1 . 1 127 127 CYS CA C 13 51.773 0.100 . . . . . . A 120 CYS CA . 34918 1 898 . 1 . 1 127 127 CYS CB C 13 35.525 0.100 . . . . . . A 120 CYS CB . 34918 1 899 . 1 . 1 127 127 CYS N N 15 120.348 0.050 . . . . . . A 120 CYS N . 34918 1 900 . 1 . 1 128 128 VAL H H 1 7.587 0.010 . . . . . . A 121 VAL H . 34918 1 901 . 1 . 1 128 128 VAL HA H 1 3.972 0.010 . . . . . . A 121 VAL HA . 34918 1 902 . 1 . 1 128 128 VAL HB H 1 2.276 0.010 . . . . . . A 121 VAL HB . 34918 1 903 . 1 . 1 128 128 VAL HG11 H 1 1.046 0.010 . . . . . . A 121 VAL HG11 . 34918 1 904 . 1 . 1 128 128 VAL HG12 H 1 1.046 0.010 . . . . . . A 121 VAL HG12 . 34918 1 905 . 1 . 1 128 128 VAL HG13 H 1 1.046 0.010 . . . . . . A 121 VAL HG13 . 34918 1 906 . 1 . 1 128 128 VAL HG21 H 1 0.947 0.010 . . . . . . A 121 VAL HG21 . 34918 1 907 . 1 . 1 128 128 VAL HG22 H 1 0.947 0.010 . . . . . . A 121 VAL HG22 . 34918 1 908 . 1 . 1 128 128 VAL HG23 H 1 0.947 0.010 . . . . . . A 121 VAL HG23 . 34918 1 909 . 1 . 1 128 128 VAL C C 13 176.334 0.100 . . . . . . A 121 VAL C . 34918 1 910 . 1 . 1 128 128 VAL CA C 13 64.127 0.100 . . . . . . A 121 VAL CA . 34918 1 911 . 1 . 1 128 128 VAL CB C 13 31.585 0.100 . . . . . . A 121 VAL CB . 34918 1 912 . 1 . 1 128 128 VAL CG1 C 13 21.614 0.100 . . . . . . A 121 VAL CG1 . 34918 1 913 . 1 . 1 128 128 VAL CG2 C 13 18.967 0.100 . . . . . . A 121 VAL CG2 . 34918 1 914 . 1 . 1 128 128 VAL N N 15 119.021 0.050 . . . . . . A 121 VAL N . 34918 1 915 . 1 . 1 129 129 ASP H H 1 8.516 0.010 . . . . . . A 122 ASP H . 34918 1 916 . 1 . 1 129 129 ASP HA H 1 4.622 0.010 . . . . . . A 122 ASP HA . 34918 1 917 . 1 . 1 129 129 ASP HB2 H 1 2.565 0.010 . . . . . . A 122 ASP HB2 . 34918 1 918 . 1 . 1 129 129 ASP HB3 H 1 2.196 0.010 . . . . . . A 122 ASP HB3 . 34918 1 919 . 1 . 1 129 129 ASP C C 13 177.663 0.100 . . . . . . A 122 ASP C . 34918 1 920 . 1 . 1 129 129 ASP CA C 13 55.049 0.100 . . . . . . A 122 ASP CA . 34918 1 921 . 1 . 1 129 129 ASP CB C 13 41.602 0.100 . . . . . . A 122 ASP CB . 34918 1 922 . 1 . 1 129 129 ASP N N 15 118.138 0.050 . . . . . . A 122 ASP N . 34918 1 923 . 1 . 1 130 130 CYS H H 1 8.028 0.010 . . . . . . A 123 CYS H . 34918 1 924 . 1 . 1 130 130 CYS HA H 1 4.847 0.010 . . . . . . A 123 CYS HA . 34918 1 925 . 1 . 1 130 130 CYS HB2 H 1 3.269 0.010 . . . . . . A 123 CYS HB2 . 34918 1 926 . 1 . 1 130 130 CYS HB3 H 1 2.668 0.010 . . . . . . A 123 CYS HB3 . 34918 1 927 . 1 . 1 130 130 CYS C C 13 173.723 0.100 . . . . . . A 123 CYS C . 34918 1 928 . 1 . 1 130 130 CYS CA C 13 53.752 0.100 . . . . . . A 123 CYS CA . 34918 1 929 . 1 . 1 130 130 CYS CB C 13 40.826 0.100 . . . . . . A 123 CYS CB . 34918 1 930 . 1 . 1 130 130 CYS N N 15 117.895 0.050 . . . . . . A 123 CYS N . 34918 1 931 . 1 . 1 131 131 THR H H 1 7.535 0.010 . . . . . . A 124 THR H . 34918 1 932 . 1 . 1 131 131 THR HA H 1 4.689 0.010 . . . . . . A 124 THR HA . 34918 1 933 . 1 . 1 131 131 THR HB H 1 4.741 0.010 . . . . . . A 124 THR HB . 34918 1 934 . 1 . 1 131 131 THR C C 13 175.688 0.100 . . . . . . A 124 THR C . 34918 1 935 . 1 . 1 131 131 THR CA C 13 59.435 0.100 . . . . . . A 124 THR CA . 34918 1 936 . 1 . 1 131 131 THR CB C 13 71.086 0.100 . . . . . . A 124 THR CB . 34918 1 937 . 1 . 1 131 131 THR N N 15 113.659 0.050 . . . . . . A 124 THR N . 34918 1 938 . 1 . 1 132 132 THR H H 1 8.940 0.010 . . . . . . A 125 THR H . 34918 1 939 . 1 . 1 132 132 THR HA H 1 3.894 0.010 . . . . . . A 125 THR HA . 34918 1 940 . 1 . 1 132 132 THR HB H 1 4.144 0.010 . . . . . . A 125 THR HB . 34918 1 941 . 1 . 1 132 132 THR HG21 H 1 1.310 0.010 . . . . . . A 125 THR HG21 . 34918 1 942 . 1 . 1 132 132 THR HG22 H 1 1.310 0.010 . . . . . . A 125 THR HG22 . 34918 1 943 . 1 . 1 132 132 THR HG23 H 1 1.310 0.010 . . . . . . A 125 THR HG23 . 34918 1 944 . 1 . 1 132 132 THR C C 13 177.332 0.100 . . . . . . A 125 THR C . 34918 1 945 . 1 . 1 132 132 THR CA C 13 66.357 0.100 . . . . . . A 125 THR CA . 34918 1 946 . 1 . 1 132 132 THR CB C 13 68.526 0.100 . . . . . . A 125 THR CB . 34918 1 947 . 1 . 1 132 132 THR CG2 C 13 22.384 0.100 . . . . . . A 125 THR CG2 . 34918 1 948 . 1 . 1 132 132 THR N N 15 116.733 0.050 . . . . . . A 125 THR N . 34918 1 949 . 1 . 1 133 133 GLY H H 1 8.560 0.010 . . . . . . A 126 GLY H . 34918 1 950 . 1 . 1 133 133 GLY HA2 H 1 3.766 0.010 . . . . . . A 126 GLY HA2 . 34918 1 951 . 1 . 1 133 133 GLY HA3 H 1 3.975 0.010 . . . . . . A 126 GLY HA3 . 34918 1 952 . 1 . 1 133 133 GLY C C 13 176.512 0.100 . . . . . . A 126 GLY C . 34918 1 953 . 1 . 1 133 133 GLY CA C 13 47.214 0.100 . . . . . . A 126 GLY CA . 34918 1 954 . 1 . 1 133 133 GLY N N 15 108.479 0.050 . . . . . . A 126 GLY N . 34918 1 955 . 1 . 1 134 134 CYS H H 1 7.681 0.010 . . . . . . A 127 CYS H . 34918 1 956 . 1 . 1 134 134 CYS HA H 1 4.211 0.010 . . . . . . A 127 CYS HA . 34918 1 957 . 1 . 1 134 134 CYS C C 13 175.339 0.100 . . . . . . A 127 CYS C . 34918 1 958 . 1 . 1 134 134 CYS CA C 13 58.737 0.100 . . . . . . A 127 CYS CA . 34918 1 959 . 1 . 1 134 134 CYS CB C 13 39.295 0.100 . . . . . . A 127 CYS CB . 34918 1 960 . 1 . 1 134 134 CYS N N 15 120.927 0.050 . . . . . . A 127 CYS N . 34918 1 961 . 1 . 1 135 135 LEU H H 1 7.617 0.010 . . . . . . A 128 LEU H . 34918 1 962 . 1 . 1 135 135 LEU HA H 1 3.649 0.010 . . . . . . A 128 LEU HA . 34918 1 963 . 1 . 1 135 135 LEU HB2 H 1 1.845 0.010 . . . . . . A 128 LEU HB2 . 34918 1 964 . 1 . 1 135 135 LEU HD11 H 1 0.757 0.010 . . . . . . A 128 LEU HD11 . 34918 1 965 . 1 . 1 135 135 LEU HD12 H 1 0.757 0.010 . . . . . . A 128 LEU HD12 . 34918 1 966 . 1 . 1 135 135 LEU HD13 H 1 0.757 0.010 . . . . . . A 128 LEU HD13 . 34918 1 967 . 1 . 1 135 135 LEU C C 13 180.366 0.100 . . . . . . A 128 LEU C . 34918 1 968 . 1 . 1 135 135 LEU CA C 13 58.201 0.100 . . . . . . A 128 LEU CA . 34918 1 969 . 1 . 1 135 135 LEU CB C 13 40.828 0.100 . . . . . . A 128 LEU CB . 34918 1 970 . 1 . 1 135 135 LEU CD1 C 13 25.448 0.100 . . . . . . A 128 LEU CD1 . 34918 1 971 . 1 . 1 135 135 LEU N N 15 117.203 0.050 . . . . . . A 128 LEU N . 34918 1 972 . 1 . 1 136 136 LYS H H 1 8.289 0.010 . . . . . . A 129 LYS H . 34918 1 973 . 1 . 1 136 136 LYS HA H 1 4.060 0.010 . . . . . . A 129 LYS HA . 34918 1 974 . 1 . 1 136 136 LYS HB2 H 1 1.863 0.010 . . . . . . A 129 LYS HB2 . 34918 1 975 . 1 . 1 136 136 LYS HE2 H 1 2.955 0.010 . . . . . . A 129 LYS HE2 . 34918 1 976 . 1 . 1 136 136 LYS C C 13 179.425 0.100 . . . . . . A 129 LYS C . 34918 1 977 . 1 . 1 136 136 LYS CA C 13 59.209 0.100 . . . . . . A 129 LYS CA . 34918 1 978 . 1 . 1 136 136 LYS CB C 13 32.398 0.100 . . . . . . A 129 LYS CB . 34918 1 979 . 1 . 1 136 136 LYS N N 15 118.143 0.050 . . . . . . A 129 LYS N . 34918 1 980 . 1 . 1 137 137 GLY H H 1 8.072 0.010 . . . . . . A 130 GLY H . 34918 1 981 . 1 . 1 137 137 GLY C C 13 176.603 0.100 . . . . . . A 130 GLY C . 34918 1 982 . 1 . 1 137 137 GLY CA C 13 46.576 0.100 . . . . . . A 130 GLY CA . 34918 1 983 . 1 . 1 137 137 GLY N N 15 108.495 0.050 . . . . . . A 130 GLY N . 34918 1 984 . 1 . 1 138 138 LEU H H 1 8.207 0.010 . . . . . . A 131 LEU H . 34918 1 985 . 1 . 1 138 138 LEU HA H 1 4.281 0.010 . . . . . . A 131 LEU HA . 34918 1 986 . 1 . 1 138 138 LEU HB2 H 1 1.835 0.010 . . . . . . A 131 LEU HB2 . 34918 1 987 . 1 . 1 138 138 LEU C C 13 177.010 0.100 . . . . . . A 131 LEU C . 34918 1 988 . 1 . 1 138 138 LEU CA C 13 56.830 0.100 . . . . . . A 131 LEU CA . 34918 1 989 . 1 . 1 138 138 LEU N N 15 121.239 0.050 . . . . . . A 131 LEU N . 34918 1 990 . 1 . 1 139 139 ALA HA H 1 4.298 0.010 . . . . . . A 132 ALA HA . 34918 1 991 . 1 . 1 139 139 ALA HB1 H 1 1.571 0.010 . . . . . . A 132 ALA HB1 . 34918 1 992 . 1 . 1 139 139 ALA HB2 H 1 1.571 0.010 . . . . . . A 132 ALA HB2 . 34918 1 993 . 1 . 1 139 139 ALA HB3 H 1 1.571 0.010 . . . . . . A 132 ALA HB3 . 34918 1 994 . 1 . 1 139 139 ALA C C 13 177.687 0.100 . . . . . . A 132 ALA C . 34918 1 995 . 1 . 1 139 139 ALA CA C 13 53.391 0.100 . . . . . . A 132 ALA CA . 34918 1 996 . 1 . 1 139 139 ALA CB C 13 19.496 0.100 . . . . . . A 132 ALA CB . 34918 1 997 . 1 . 1 140 140 ASN H H 1 7.570 0.010 . . . . . . A 133 ASN H . 34918 1 998 . 1 . 1 140 140 ASN HA H 1 4.953 0.010 . . . . . . A 133 ASN HA . 34918 1 999 . 1 . 1 140 140 ASN HB2 H 1 2.700 0.010 . . . . . . A 133 ASN HB2 . 34918 1 1000 . 1 . 1 140 140 ASN HB3 H 1 2.855 0.010 . . . . . . A 133 ASN HB3 . 34918 1 1001 . 1 . 1 140 140 ASN C C 13 174.909 0.100 . . . . . . A 133 ASN C . 34918 1 1002 . 1 . 1 140 140 ASN CA C 13 52.658 0.100 . . . . . . A 133 ASN CA . 34918 1 1003 . 1 . 1 140 140 ASN CB C 13 39.828 0.100 . . . . . . A 133 ASN CB . 34918 1 1004 . 1 . 1 140 140 ASN N N 15 116.045 0.050 . . . . . . A 133 ASN N . 34918 1 1005 . 1 . 1 141 141 VAL H H 1 7.562 0.010 . . . . . . A 134 VAL H . 34918 1 1006 . 1 . 1 141 141 VAL HA H 1 3.954 0.010 . . . . . . A 134 VAL HA . 34918 1 1007 . 1 . 1 141 141 VAL HB H 1 2.043 0.010 . . . . . . A 134 VAL HB . 34918 1 1008 . 1 . 1 141 141 VAL HG11 H 1 0.936 0.010 . . . . . . A 134 VAL HG11 . 34918 1 1009 . 1 . 1 141 141 VAL HG12 H 1 0.936 0.010 . . . . . . A 134 VAL HG12 . 34918 1 1010 . 1 . 1 141 141 VAL HG13 H 1 0.936 0.010 . . . . . . A 134 VAL HG13 . 34918 1 1011 . 1 . 1 141 141 VAL HG21 H 1 0.847 0.010 . . . . . . A 134 VAL HG21 . 34918 1 1012 . 1 . 1 141 141 VAL HG22 H 1 0.847 0.010 . . . . . . A 134 VAL HG22 . 34918 1 1013 . 1 . 1 141 141 VAL HG23 H 1 0.847 0.010 . . . . . . A 134 VAL HG23 . 34918 1 1014 . 1 . 1 141 141 VAL C C 13 175.469 0.100 . . . . . . A 134 VAL C . 34918 1 1015 . 1 . 1 141 141 VAL CA C 13 63.185 0.100 . . . . . . A 134 VAL CA . 34918 1 1016 . 1 . 1 141 141 VAL CB C 13 32.558 0.100 . . . . . . A 134 VAL CB . 34918 1 1017 . 1 . 1 141 141 VAL CG1 C 13 21.481 0.100 . . . . . . A 134 VAL CG1 . 34918 1 1018 . 1 . 1 141 141 VAL CG2 C 13 21.372 0.100 . . . . . . A 134 VAL CG2 . 34918 1 1019 . 1 . 1 141 141 VAL N N 15 120.191 0.050 . . . . . . A 134 VAL N . 34918 1 1020 . 1 . 1 144 144 SER HA H 1 4.478 0.010 . . . . . . A 137 SER HA . 34918 1 1021 . 1 . 1 144 144 SER HB3 H 1 4.312 0.010 . . . . . . A 137 SER HB3 . 34918 1 1022 . 1 . 1 144 144 SER C C 13 174.383 0.100 . . . . . . A 137 SER C . 34918 1 1023 . 1 . 1 144 144 SER CA C 13 56.803 0.100 . . . . . . A 137 SER CA . 34918 1 1024 . 1 . 1 145 145 ASP H H 1 8.906 0.010 . . . . . . A 138 ASP H . 34918 1 1025 . 1 . 1 145 145 ASP HA H 1 4.323 0.010 . . . . . . A 138 ASP HA . 34918 1 1026 . 1 . 1 145 145 ASP HB2 H 1 2.669 0.010 . . . . . . A 138 ASP HB2 . 34918 1 1027 . 1 . 1 145 145 ASP HB3 H 1 2.698 0.010 . . . . . . A 138 ASP HB3 . 34918 1 1028 . 1 . 1 145 145 ASP C C 13 178.502 0.100 . . . . . . A 138 ASP C . 34918 1 1029 . 1 . 1 145 145 ASP CA C 13 58.261 0.100 . . . . . . A 138 ASP CA . 34918 1 1030 . 1 . 1 145 145 ASP CB C 13 40.424 0.100 . . . . . . A 138 ASP CB . 34918 1 1031 . 1 . 1 145 145 ASP N N 15 121.422 0.050 . . . . . . A 138 ASP N . 34918 1 1032 . 1 . 1 146 146 LEU H H 1 8.335 0.010 . . . . . . A 139 LEU H . 34918 1 1033 . 1 . 1 146 146 LEU HA H 1 4.247 0.010 . . . . . . A 139 LEU HA . 34918 1 1034 . 1 . 1 146 146 LEU HB2 H 1 1.603 0.010 . . . . . . A 139 LEU HB2 . 34918 1 1035 . 1 . 1 146 146 LEU HB3 H 1 1.715 0.010 . . . . . . A 139 LEU HB3 . 34918 1 1036 . 1 . 1 146 146 LEU HG H 1 1.000 0.010 . . . . . . A 139 LEU HG . 34918 1 1037 . 1 . 1 146 146 LEU HD11 H 1 1.006 0.010 . . . . . . A 139 LEU HD11 . 34918 1 1038 . 1 . 1 146 146 LEU HD12 H 1 1.006 0.010 . . . . . . A 139 LEU HD12 . 34918 1 1039 . 1 . 1 146 146 LEU HD13 H 1 1.006 0.010 . . . . . . A 139 LEU HD13 . 34918 1 1040 . 1 . 1 146 146 LEU HD21 H 1 0.825 0.010 . . . . . . A 139 LEU HD21 . 34918 1 1041 . 1 . 1 146 146 LEU HD22 H 1 0.825 0.010 . . . . . . A 139 LEU HD22 . 34918 1 1042 . 1 . 1 146 146 LEU HD23 H 1 0.825 0.010 . . . . . . A 139 LEU HD23 . 34918 1 1043 . 1 . 1 146 146 LEU C C 13 178.749 0.100 . . . . . . A 139 LEU C . 34918 1 1044 . 1 . 1 146 146 LEU CA C 13 57.924 0.100 . . . . . . A 139 LEU CA . 34918 1 1045 . 1 . 1 146 146 LEU CB C 13 42.198 0.100 . . . . . . A 139 LEU CB . 34918 1 1046 . 1 . 1 146 146 LEU CD1 C 13 24.376 0.100 . . . . . . A 139 LEU CD1 . 34918 1 1047 . 1 . 1 146 146 LEU CD2 C 13 24.978 0.100 . . . . . . A 139 LEU CD2 . 34918 1 1048 . 1 . 1 146 146 LEU N N 15 119.903 0.050 . . . . . . A 139 LEU N . 34918 1 1049 . 1 . 1 147 147 LEU H H 1 7.550 0.010 . . . . . . A 140 LEU H . 34918 1 1050 . 1 . 1 147 147 LEU HA H 1 4.166 0.010 . . . . . . A 140 LEU HA . 34918 1 1051 . 1 . 1 147 147 LEU HB2 H 1 1.777 0.010 . . . . . . A 140 LEU HB2 . 34918 1 1052 . 1 . 1 147 147 LEU HD11 H 1 0.983 0.010 . . . . . . A 140 LEU HD11 . 34918 1 1053 . 1 . 1 147 147 LEU HD12 H 1 0.983 0.010 . . . . . . A 140 LEU HD12 . 34918 1 1054 . 1 . 1 147 147 LEU HD13 H 1 0.983 0.010 . . . . . . A 140 LEU HD13 . 34918 1 1055 . 1 . 1 147 147 LEU HD21 H 1 0.919 0.010 . . . . . . A 140 LEU HD21 . 34918 1 1056 . 1 . 1 147 147 LEU HD22 H 1 0.919 0.010 . . . . . . A 140 LEU HD22 . 34918 1 1057 . 1 . 1 147 147 LEU HD23 H 1 0.919 0.010 . . . . . . A 140 LEU HD23 . 34918 1 1058 . 1 . 1 147 147 LEU C C 13 178.633 0.100 . . . . . . A 140 LEU C . 34918 1 1059 . 1 . 1 147 147 LEU CA C 13 57.378 0.100 . . . . . . A 140 LEU CA . 34918 1 1060 . 1 . 1 147 147 LEU CB C 13 41.657 0.100 . . . . . . A 140 LEU CB . 34918 1 1061 . 1 . 1 147 147 LEU CD1 C 13 25.655 0.100 . . . . . . A 140 LEU CD1 . 34918 1 1062 . 1 . 1 147 147 LEU CD2 C 13 24.504 0.100 . . . . . . A 140 LEU CD2 . 34918 1 1063 . 1 . 1 147 147 LEU N N 15 118.357 0.050 . . . . . . A 140 LEU N . 34918 1 1064 . 1 . 1 148 148 LYS H H 1 8.273 0.010 . . . . . . A 141 LYS H . 34918 1 1065 . 1 . 1 148 148 LYS HA H 1 3.802 0.010 . . . . . . A 141 LYS HA . 34918 1 1066 . 1 . 1 148 148 LYS HB2 H 1 1.836 0.010 . . . . . . A 141 LYS HB2 . 34918 1 1067 . 1 . 1 148 148 LYS HG2 H 1 1.506 0.010 . . . . . . A 141 LYS HG2 . 34918 1 1068 . 1 . 1 148 148 LYS HG3 H 1 1.399 0.010 . . . . . . A 141 LYS HG3 . 34918 1 1069 . 1 . 1 148 148 LYS HD2 H 1 1.704 0.010 . . . . . . A 141 LYS HD2 . 34918 1 1070 . 1 . 1 148 148 LYS C C 13 177.360 0.100 . . . . . . A 141 LYS C . 34918 1 1071 . 1 . 1 148 148 LYS CA C 13 59.701 0.100 . . . . . . A 141 LYS CA . 34918 1 1072 . 1 . 1 148 148 LYS CB C 13 32.649 0.100 . . . . . . A 141 LYS CB . 34918 1 1073 . 1 . 1 148 148 LYS CG C 13 25.699 0.100 . . . . . . A 141 LYS CG . 34918 1 1074 . 1 . 1 148 148 LYS CD C 13 30.011 0.100 . . . . . . A 141 LYS CD . 34918 1 1075 . 1 . 1 148 148 LYS N N 15 118.643 0.050 . . . . . . A 141 LYS N . 34918 1 1076 . 1 . 1 149 149 LYS H H 1 7.249 0.010 . . . . . . A 142 LYS H . 34918 1 1077 . 1 . 1 149 149 LYS HA H 1 3.927 0.010 . . . . . . A 142 LYS HA . 34918 1 1078 . 1 . 1 149 149 LYS HB2 H 1 1.688 0.010 . . . . . . A 142 LYS HB2 . 34918 1 1079 . 1 . 1 149 149 LYS HB3 H 1 1.632 0.010 . . . . . . A 142 LYS HB3 . 34918 1 1080 . 1 . 1 149 149 LYS HG2 H 1 0.730 0.010 . . . . . . A 142 LYS HG2 . 34918 1 1081 . 1 . 1 149 149 LYS HG3 H 1 1.092 0.010 . . . . . . A 142 LYS HG3 . 34918 1 1082 . 1 . 1 149 149 LYS HD2 H 1 1.447 0.010 . . . . . . A 142 LYS HD2 . 34918 1 1083 . 1 . 1 149 149 LYS HD3 H 1 1.473 0.010 . . . . . . A 142 LYS HD3 . 34918 1 1084 . 1 . 1 149 149 LYS HE2 H 1 2.746 0.010 . . . . . . A 142 LYS HE2 . 34918 1 1085 . 1 . 1 149 149 LYS HE3 H 1 2.703 0.010 . . . . . . A 142 LYS HE3 . 34918 1 1086 . 1 . 1 149 149 LYS C C 13 177.592 0.100 . . . . . . A 142 LYS C . 34918 1 1087 . 1 . 1 149 149 LYS CA C 13 58.269 0.100 . . . . . . A 142 LYS CA . 34918 1 1088 . 1 . 1 149 149 LYS CB C 13 32.542 0.100 . . . . . . A 142 LYS CB . 34918 1 1089 . 1 . 1 149 149 LYS CG C 13 24.629 0.100 . . . . . . A 142 LYS CG . 34918 1 1090 . 1 . 1 149 149 LYS CD C 13 29.238 0.100 . . . . . . A 142 LYS CD . 34918 1 1091 . 1 . 1 149 149 LYS N N 15 115.863 0.050 . . . . . . A 142 LYS N . 34918 1 1092 . 1 . 1 150 150 TRP H H 1 7.428 0.010 . . . . . . A 143 TRP H . 34918 1 1093 . 1 . 1 150 150 TRP HA H 1 4.518 0.010 . . . . . . A 143 TRP HA . 34918 1 1094 . 1 . 1 150 150 TRP HB2 H 1 3.399 0.010 . . . . . . A 143 TRP HB2 . 34918 1 1095 . 1 . 1 150 150 TRP HB3 H 1 2.881 0.010 . . . . . . A 143 TRP HB3 . 34918 1 1096 . 1 . 1 150 150 TRP HD1 H 1 7.429 0.010 . . . . . . A 143 TRP HD1 . 34918 1 1097 . 1 . 1 150 150 TRP HE1 H 1 10.419 0.010 . . . . . . A 143 TRP HE1 . 34918 1 1098 . 1 . 1 150 150 TRP HE3 H 1 7.674 0.010 . . . . . . A 143 TRP HE3 . 34918 1 1099 . 1 . 1 150 150 TRP HZ2 H 1 7.515 0.010 . . . . . . A 143 TRP HZ2 . 34918 1 1100 . 1 . 1 150 150 TRP HZ3 H 1 7.154 0.010 . . . . . . A 143 TRP HZ3 . 34918 1 1101 . 1 . 1 150 150 TRP HH2 H 1 7.259 0.010 . . . . . . A 143 TRP HH2 . 34918 1 1102 . 1 . 1 150 150 TRP C C 13 175.255 0.100 . . . . . . A 143 TRP C . 34918 1 1103 . 1 . 1 150 150 TRP CA C 13 58.922 0.100 . . . . . . A 143 TRP CA . 34918 1 1104 . 1 . 1 150 150 TRP CB C 13 31.863 0.100 . . . . . . A 143 TRP CB . 34918 1 1105 . 1 . 1 150 150 TRP CD1 C 13 127.648 0.100 . . . . . . A 143 TRP CD1 . 34918 1 1106 . 1 . 1 150 150 TRP CE3 C 13 120.395 0.100 . . . . . . A 143 TRP CE3 . 34918 1 1107 . 1 . 1 150 150 TRP CZ2 C 13 114.837 0.100 . . . . . . A 143 TRP CZ2 . 34918 1 1108 . 1 . 1 150 150 TRP CZ3 C 13 122.182 0.100 . . . . . . A 143 TRP CZ3 . 34918 1 1109 . 1 . 1 150 150 TRP CH2 C 13 124.843 0.100 . . . . . . A 143 TRP CH2 . 34918 1 1110 . 1 . 1 150 150 TRP N N 15 116.544 0.050 . . . . . . A 143 TRP N . 34918 1 1111 . 1 . 1 150 150 TRP NE1 N 15 128.782 0.050 . . . . . . A 143 TRP NE1 . 34918 1 1112 . 1 . 1 151 151 LEU H H 1 8.459 0.010 . . . . . . A 144 LEU H . 34918 1 1113 . 1 . 1 151 151 LEU C C 13 173.999 0.100 . . . . . . A 144 LEU C . 34918 1 1114 . 1 . 1 151 151 LEU CB C 13 43.005 0.100 . . . . . . A 144 LEU CB . 34918 1 1115 . 1 . 1 151 151 LEU N N 15 119.280 0.050 . . . . . . A 144 LEU N . 34918 1 1116 . 1 . 1 154 154 ARG C C 13 177.341 0.100 . . . . . . A 147 ARG C . 34918 1 1117 . 1 . 1 155 155 CYS H H 1 7.993 0.010 . . . . . . A 148 CYS H . 34918 1 1118 . 1 . 1 155 155 CYS HA H 1 4.418 0.010 . . . . . . A 148 CYS HA . 34918 1 1119 . 1 . 1 155 155 CYS C C 13 174.831 0.100 . . . . . . A 148 CYS C . 34918 1 1120 . 1 . 1 155 155 CYS CA C 13 55.327 0.100 . . . . . . A 148 CYS CA . 34918 1 1121 . 1 . 1 155 155 CYS CB C 13 40.919 0.100 . . . . . . A 148 CYS CB . 34918 1 1122 . 1 . 1 155 155 CYS N N 15 115.212 0.050 . . . . . . A 148 CYS N . 34918 1 1123 . 1 . 1 156 156 ALA H H 1 8.042 0.010 . . . . . . A 149 ALA H . 34918 1 1124 . 1 . 1 156 156 ALA HA H 1 4.346 0.010 . . . . . . A 149 ALA HA . 34918 1 1125 . 1 . 1 156 156 ALA HB1 H 1 1.459 0.010 . . . . . . A 149 ALA HB1 . 34918 1 1126 . 1 . 1 156 156 ALA HB2 H 1 1.459 0.010 . . . . . . A 149 ALA HB2 . 34918 1 1127 . 1 . 1 156 156 ALA HB3 H 1 1.459 0.010 . . . . . . A 149 ALA HB3 . 34918 1 1128 . 1 . 1 156 156 ALA C C 13 178.138 0.100 . . . . . . A 149 ALA C . 34918 1 1129 . 1 . 1 156 156 ALA CA C 13 53.762 0.100 . . . . . . A 149 ALA CA . 34918 1 1130 . 1 . 1 156 156 ALA CB C 13 19.209 0.100 . . . . . . A 149 ALA CB . 34918 1 1131 . 1 . 1 156 156 ALA N N 15 124.822 0.050 . . . . . . A 149 ALA N . 34918 1 1132 . 1 . 1 157 157 THR H H 1 7.972 0.010 . . . . . . A 150 THR H . 34918 1 1133 . 1 . 1 157 157 THR HA H 1 4.251 0.010 . . . . . . A 150 THR HA . 34918 1 1134 . 1 . 1 157 157 THR HB H 1 4.209 0.010 . . . . . . A 150 THR HB . 34918 1 1135 . 1 . 1 157 157 THR HG21 H 1 1.157 0.010 . . . . . . A 150 THR HG21 . 34918 1 1136 . 1 . 1 157 157 THR HG22 H 1 1.157 0.010 . . . . . . A 150 THR HG22 . 34918 1 1137 . 1 . 1 157 157 THR HG23 H 1 1.157 0.010 . . . . . . A 150 THR HG23 . 34918 1 1138 . 1 . 1 157 157 THR C C 13 174.700 0.100 . . . . . . A 150 THR C . 34918 1 1139 . 1 . 1 157 157 THR CA C 13 62.317 0.100 . . . . . . A 150 THR CA . 34918 1 1140 . 1 . 1 157 157 THR CB C 13 69.590 0.100 . . . . . . A 150 THR CB . 34918 1 1141 . 1 . 1 157 157 THR CG2 C 13 21.689 0.100 . . . . . . A 150 THR CG2 . 34918 1 1142 . 1 . 1 157 157 THR N N 15 111.247 0.050 . . . . . . A 150 THR N . 34918 1 1143 . 1 . 1 158 158 PHE H H 1 7.993 0.010 . . . . . . A 151 PHE H . 34918 1 1144 . 1 . 1 158 158 PHE HA H 1 4.566 0.010 . . . . . . A 151 PHE HA . 34918 1 1145 . 1 . 1 158 158 PHE HB2 H 1 3.173 0.010 . . . . . . A 151 PHE HB2 . 34918 1 1146 . 1 . 1 158 158 PHE HB3 H 1 3.065 0.010 . . . . . . A 151 PHE HB3 . 34918 1 1147 . 1 . 1 158 158 PHE C C 13 175.401 0.100 . . . . . . A 151 PHE C . 34918 1 1148 . 1 . 1 158 158 PHE CA C 13 58.160 0.100 . . . . . . A 151 PHE CA . 34918 1 1149 . 1 . 1 158 158 PHE CB C 13 39.615 0.100 . . . . . . A 151 PHE CB . 34918 1 1150 . 1 . 1 158 158 PHE N N 15 122.352 0.050 . . . . . . A 151 PHE N . 34918 1 1151 . 1 . 1 159 159 ALA H H 1 8.024 0.010 . . . . . . A 152 ALA H . 34918 1 1152 . 1 . 1 159 159 ALA HA H 1 4.280 0.010 . . . . . . A 152 ALA HA . 34918 1 1153 . 1 . 1 159 159 ALA HB1 H 1 1.341 0.010 . . . . . . A 152 ALA HB1 . 34918 1 1154 . 1 . 1 159 159 ALA HB2 H 1 1.341 0.010 . . . . . . A 152 ALA HB2 . 34918 1 1155 . 1 . 1 159 159 ALA HB3 H 1 1.341 0.010 . . . . . . A 152 ALA HB3 . 34918 1 1156 . 1 . 1 159 159 ALA C C 13 177.350 0.100 . . . . . . A 152 ALA C . 34918 1 1157 . 1 . 1 159 159 ALA CA C 13 52.567 0.100 . . . . . . A 152 ALA CA . 34918 1 1158 . 1 . 1 159 159 ALA CB C 13 19.318 0.100 . . . . . . A 152 ALA CB . 34918 1 1159 . 1 . 1 159 159 ALA N N 15 125.509 0.050 . . . . . . A 152 ALA N . 34918 1 1160 . 1 . 1 160 160 SER H H 1 8.061 0.010 . . . . . . A 153 SER H . 34918 1 1161 . 1 . 1 160 160 SER HA H 1 4.367 0.010 . . . . . . A 153 SER HA . 34918 1 1162 . 1 . 1 160 160 SER HB2 H 1 3.882 0.010 . . . . . . A 153 SER HB2 . 34918 1 1163 . 1 . 1 160 160 SER C C 13 174.727 0.100 . . . . . . A 153 SER C . 34918 1 1164 . 1 . 1 160 160 SER CA C 13 58.639 0.100 . . . . . . A 153 SER CA . 34918 1 1165 . 1 . 1 160 160 SER CB C 13 63.866 0.100 . . . . . . A 153 SER CB . 34918 1 1166 . 1 . 1 160 160 SER N N 15 114.917 0.050 . . . . . . A 153 SER N . 34918 1 1167 . 1 . 1 161 161 LYS H H 1 8.237 0.010 . . . . . . A 154 LYS H . 34918 1 1168 . 1 . 1 161 161 LYS HA H 1 4.346 0.010 . . . . . . A 154 LYS HA . 34918 1 1169 . 1 . 1 161 161 LYS HB2 H 1 1.846 0.010 . . . . . . A 154 LYS HB2 . 34918 1 1170 . 1 . 1 161 161 LYS HB3 H 1 1.772 0.010 . . . . . . A 154 LYS HB3 . 34918 1 1171 . 1 . 1 161 161 LYS HG2 H 1 1.435 0.010 . . . . . . A 154 LYS HG2 . 34918 1 1172 . 1 . 1 161 161 LYS C C 13 176.622 0.100 . . . . . . A 154 LYS C . 34918 1 1173 . 1 . 1 161 161 LYS CA C 13 56.557 0.100 . . . . . . A 154 LYS CA . 34918 1 1174 . 1 . 1 161 161 LYS CB C 13 33.007 0.100 . . . . . . A 154 LYS CB . 34918 1 1175 . 1 . 1 161 161 LYS N N 15 122.976 0.050 . . . . . . A 154 LYS N . 34918 1 1176 . 1 . 1 162 162 ILE H H 1 8.026 0.010 . . . . . . A 155 ILE H . 34918 1 1177 . 1 . 1 162 162 ILE HA H 1 4.141 0.010 . . . . . . A 155 ILE HA . 34918 1 1178 . 1 . 1 162 162 ILE HB H 1 1.848 0.010 . . . . . . A 155 ILE HB . 34918 1 1179 . 1 . 1 162 162 ILE HG12 H 1 1.458 0.010 . . . . . . A 155 ILE HG12 . 34918 1 1180 . 1 . 1 162 162 ILE HG13 H 1 1.179 0.010 . . . . . . A 155 ILE HG13 . 34918 1 1181 . 1 . 1 162 162 ILE HG21 H 1 0.882 0.010 . . . . . . A 155 ILE HG21 . 34918 1 1182 . 1 . 1 162 162 ILE HG22 H 1 0.882 0.010 . . . . . . A 155 ILE HG22 . 34918 1 1183 . 1 . 1 162 162 ILE HG23 H 1 0.882 0.010 . . . . . . A 155 ILE HG23 . 34918 1 1184 . 1 . 1 162 162 ILE HD11 H 1 0.842 0.010 . . . . . . A 155 ILE HD11 . 34918 1 1185 . 1 . 1 162 162 ILE HD12 H 1 0.842 0.010 . . . . . . A 155 ILE HD12 . 34918 1 1186 . 1 . 1 162 162 ILE HD13 H 1 0.842 0.010 . . . . . . A 155 ILE HD13 . 34918 1 1187 . 1 . 1 162 162 ILE C C 13 176.295 0.100 . . . . . . A 155 ILE C . 34918 1 1188 . 1 . 1 162 162 ILE CA C 13 61.251 0.100 . . . . . . A 155 ILE CA . 34918 1 1189 . 1 . 1 162 162 ILE CB C 13 38.571 0.100 . . . . . . A 155 ILE CB . 34918 1 1190 . 1 . 1 162 162 ILE CG1 C 13 27.386 0.100 . . . . . . A 155 ILE CG1 . 34918 1 1191 . 1 . 1 162 162 ILE CG2 C 13 17.571 0.100 . . . . . . A 155 ILE CG2 . 34918 1 1192 . 1 . 1 162 162 ILE CD1 C 13 12.788 0.100 . . . . . . A 155 ILE CD1 . 34918 1 1193 . 1 . 1 162 162 ILE N N 15 121.353 0.050 . . . . . . A 155 ILE N . 34918 1 1194 . 1 . 1 163 163 GLN H H 1 8.352 0.010 . . . . . . A 156 GLN H . 34918 1 1195 . 1 . 1 163 163 GLN HA H 1 4.324 0.010 . . . . . . A 156 GLN HA . 34918 1 1196 . 1 . 1 163 163 GLN HB2 H 1 2.102 0.010 . . . . . . A 156 GLN HB2 . 34918 1 1197 . 1 . 1 163 163 GLN HB3 H 1 2.006 0.010 . . . . . . A 156 GLN HB3 . 34918 1 1198 . 1 . 1 163 163 GLN HG2 H 1 2.378 0.010 . . . . . . A 156 GLN HG2 . 34918 1 1199 . 1 . 1 163 163 GLN C C 13 176.384 0.100 . . . . . . A 156 GLN C . 34918 1 1200 . 1 . 1 163 163 GLN CA C 13 56.223 0.100 . . . . . . A 156 GLN CA . 34918 1 1201 . 1 . 1 163 163 GLN CB C 13 29.482 0.100 . . . . . . A 156 GLN CB . 34918 1 1202 . 1 . 1 163 163 GLN CG C 13 33.905 0.100 . . . . . . A 156 GLN CG . 34918 1 1203 . 1 . 1 163 163 GLN N N 15 124.453 0.050 . . . . . . A 156 GLN N . 34918 1 1204 . 1 . 1 164 164 GLY H H 1 8.376 0.010 . . . . . . A 157 GLY H . 34918 1 1205 . 1 . 1 164 164 GLY HA3 H 1 3.955 0.010 . . . . . . A 157 GLY HA3 . 34918 1 1206 . 1 . 1 164 164 GLY C C 13 173.980 0.100 . . . . . . A 157 GLY C . 34918 1 1207 . 1 . 1 164 164 GLY CA C 13 45.328 0.100 . . . . . . A 157 GLY CA . 34918 1 1208 . 1 . 1 164 164 GLY N N 15 110.108 0.050 . . . . . . A 157 GLY N . 34918 1 1209 . 1 . 1 165 165 GLN H H 1 8.165 0.010 . . . . . . A 158 GLN H . 34918 1 1210 . 1 . 1 165 165 GLN HA H 1 4.381 0.010 . . . . . . A 158 GLN HA . 34918 1 1211 . 1 . 1 165 165 GLN HB2 H 1 2.106 0.010 . . . . . . A 158 GLN HB2 . 34918 1 1212 . 1 . 1 165 165 GLN HB3 H 1 2.001 0.010 . . . . . . A 158 GLN HB3 . 34918 1 1213 . 1 . 1 165 165 GLN HG2 H 1 2.353 0.010 . . . . . . A 158 GLN HG2 . 34918 1 1214 . 1 . 1 165 165 GLN C C 13 176.217 0.100 . . . . . . A 158 GLN C . 34918 1 1215 . 1 . 1 165 165 GLN CA C 13 55.962 0.100 . . . . . . A 158 GLN CA . 34918 1 1216 . 1 . 1 165 165 GLN CB C 13 29.503 0.100 . . . . . . A 158 GLN CB . 34918 1 1217 . 1 . 1 165 165 GLN CG C 13 33.872 0.100 . . . . . . A 158 GLN CG . 34918 1 1218 . 1 . 1 165 165 GLN N N 15 119.976 0.050 . . . . . . A 158 GLN N . 34918 1 1219 . 1 . 1 166 166 VAL H H 1 8.144 0.010 . . . . . . A 159 VAL H . 34918 1 1220 . 1 . 1 166 166 VAL HA H 1 4.109 0.010 . . . . . . A 159 VAL HA . 34918 1 1221 . 1 . 1 166 166 VAL HB H 1 2.096 0.010 . . . . . . A 159 VAL HB . 34918 1 1222 . 1 . 1 166 166 VAL HG11 H 1 0.935 0.010 . . . . . . A 159 VAL HG11 . 34918 1 1223 . 1 . 1 166 166 VAL HG12 H 1 0.935 0.010 . . . . . . A 159 VAL HG12 . 34918 1 1224 . 1 . 1 166 166 VAL HG13 H 1 0.935 0.010 . . . . . . A 159 VAL HG13 . 34918 1 1225 . 1 . 1 166 166 VAL C C 13 175.569 0.100 . . . . . . A 159 VAL C . 34918 1 1226 . 1 . 1 166 166 VAL CA C 13 62.561 0.100 . . . . . . A 159 VAL CA . 34918 1 1227 . 1 . 1 166 166 VAL CB C 13 32.830 0.100 . . . . . . A 159 VAL CB . 34918 1 1228 . 1 . 1 166 166 VAL CG1 C 13 20.888 0.100 . . . . . . A 159 VAL CG1 . 34918 1 1229 . 1 . 1 166 166 VAL N N 15 120.915 0.050 . . . . . . A 159 VAL N . 34918 1 1230 . 1 . 1 167 167 ASP H H 1 8.325 0.010 . . . . . . A 160 ASP H . 34918 1 1231 . 1 . 1 167 167 ASP HA H 1 4.589 0.010 . . . . . . A 160 ASP HA . 34918 1 1232 . 1 . 1 167 167 ASP HB2 H 1 2.604 0.010 . . . . . . A 160 ASP HB2 . 34918 1 1233 . 1 . 1 167 167 ASP HB3 H 1 2.674 0.010 . . . . . . A 160 ASP HB3 . 34918 1 1234 . 1 . 1 167 167 ASP C C 13 176.178 0.100 . . . . . . A 160 ASP C . 34918 1 1235 . 1 . 1 167 167 ASP CA C 13 54.538 0.100 . . . . . . A 160 ASP CA . 34918 1 1236 . 1 . 1 167 167 ASP CB C 13 41.348 0.100 . . . . . . A 160 ASP CB . 34918 1 1237 . 1 . 1 167 167 ASP N N 15 123.353 0.050 . . . . . . A 160 ASP N . 34918 1 1238 . 1 . 1 168 168 LYS H H 1 8.112 0.010 . . . . . . A 161 LYS H . 34918 1 1239 . 1 . 1 168 168 LYS HA H 1 4.296 0.010 . . . . . . A 161 LYS HA . 34918 1 1240 . 1 . 1 168 168 LYS HB2 H 1 1.838 0.010 . . . . . . A 161 LYS HB2 . 34918 1 1241 . 1 . 1 168 168 LYS HB3 H 1 1.757 0.010 . . . . . . A 161 LYS HB3 . 34918 1 1242 . 1 . 1 168 168 LYS HG2 H 1 1.432 0.010 . . . . . . A 161 LYS HG2 . 34918 1 1243 . 1 . 1 168 168 LYS HG3 H 1 1.425 0.010 . . . . . . A 161 LYS HG3 . 34918 1 1244 . 1 . 1 168 168 LYS HD2 H 1 1.679 0.010 . . . . . . A 161 LYS HD2 . 34918 1 1245 . 1 . 1 168 168 LYS HE2 H 1 2.997 0.010 . . . . . . A 161 LYS HE2 . 34918 1 1246 . 1 . 1 168 168 LYS C C 13 176.532 0.100 . . . . . . A 161 LYS C . 34918 1 1247 . 1 . 1 168 168 LYS CA C 13 56.528 0.100 . . . . . . A 161 LYS CA . 34918 1 1248 . 1 . 1 168 168 LYS CB C 13 33.075 0.100 . . . . . . A 161 LYS CB . 34918 1 1249 . 1 . 1 168 168 LYS CG C 13 24.756 0.100 . . . . . . A 161 LYS CG . 34918 1 1250 . 1 . 1 168 168 LYS CD C 13 29.117 0.100 . . . . . . A 161 LYS CD . 34918 1 1251 . 1 . 1 168 168 LYS CE C 13 42.221 0.100 . . . . . . A 161 LYS CE . 34918 1 1252 . 1 . 1 168 168 LYS N N 15 121.282 0.050 . . . . . . A 161 LYS N . 34918 1 1253 . 1 . 1 169 169 ILE H H 1 8.055 0.010 . . . . . . A 162 ILE H . 34918 1 1254 . 1 . 1 169 169 ILE HA H 1 4.116 0.010 . . . . . . A 162 ILE HA . 34918 1 1255 . 1 . 1 169 169 ILE HB H 1 1.881 0.010 . . . . . . A 162 ILE HB . 34918 1 1256 . 1 . 1 169 169 ILE HG12 H 1 1.481 0.010 . . . . . . A 162 ILE HG12 . 34918 1 1257 . 1 . 1 169 169 ILE HG13 H 1 1.197 0.010 . . . . . . A 162 ILE HG13 . 34918 1 1258 . 1 . 1 169 169 ILE HG21 H 1 0.897 0.010 . . . . . . A 162 ILE HG21 . 34918 1 1259 . 1 . 1 169 169 ILE HG22 H 1 0.897 0.010 . . . . . . A 162 ILE HG22 . 34918 1 1260 . 1 . 1 169 169 ILE HG23 H 1 0.897 0.010 . . . . . . A 162 ILE HG23 . 34918 1 1261 . 1 . 1 169 169 ILE HD11 H 1 0.858 0.010 . . . . . . A 162 ILE HD11 . 34918 1 1262 . 1 . 1 169 169 ILE HD12 H 1 0.858 0.010 . . . . . . A 162 ILE HD12 . 34918 1 1263 . 1 . 1 169 169 ILE HD13 H 1 0.858 0.010 . . . . . . A 162 ILE HD13 . 34918 1 1264 . 1 . 1 169 169 ILE C C 13 176.370 0.100 . . . . . . A 162 ILE C . 34918 1 1265 . 1 . 1 169 169 ILE CA C 13 61.351 0.100 . . . . . . A 162 ILE CA . 34918 1 1266 . 1 . 1 169 169 ILE CB C 13 38.583 0.100 . . . . . . A 162 ILE CB . 34918 1 1267 . 1 . 1 169 169 ILE CG1 C 13 27.456 0.100 . . . . . . A 162 ILE CG1 . 34918 1 1268 . 1 . 1 169 169 ILE CG2 C 13 17.600 0.100 . . . . . . A 162 ILE CG2 . 34918 1 1269 . 1 . 1 169 169 ILE CD1 C 13 12.775 0.100 . . . . . . A 162 ILE CD1 . 34918 1 1270 . 1 . 1 169 169 ILE N N 15 121.662 0.050 . . . . . . A 162 ILE N . 34918 1 1271 . 1 . 1 170 170 LYS H H 1 8.326 0.010 . . . . . . A 163 LYS H . 34918 1 1272 . 1 . 1 170 170 LYS HA H 1 4.299 0.010 . . . . . . A 163 LYS HA . 34918 1 1273 . 1 . 1 170 170 LYS HB2 H 1 1.805 0.010 . . . . . . A 163 LYS HB2 . 34918 1 1274 . 1 . 1 170 170 LYS HG2 H 1 1.439 0.010 . . . . . . A 163 LYS HG2 . 34918 1 1275 . 1 . 1 170 170 LYS HD2 H 1 1.696 0.010 . . . . . . A 163 LYS HD2 . 34918 1 1276 . 1 . 1 170 170 LYS HE2 H 1 3.010 0.010 . . . . . . A 163 LYS HE2 . 34918 1 1277 . 1 . 1 170 170 LYS C C 13 177.104 0.100 . . . . . . A 163 LYS C . 34918 1 1278 . 1 . 1 170 170 LYS CA C 13 56.645 0.100 . . . . . . A 163 LYS CA . 34918 1 1279 . 1 . 1 170 170 LYS CB C 13 32.969 0.100 . . . . . . A 163 LYS CB . 34918 1 1280 . 1 . 1 170 170 LYS N N 15 125.293 0.050 . . . . . . A 163 LYS N . 34918 1 1281 . 1 . 1 171 171 GLY H H 1 8.388 0.010 . . . . . . A 164 GLY H . 34918 1 1282 . 1 . 1 171 171 GLY HA2 H 1 3.981 0.010 . . . . . . A 164 GLY HA2 . 34918 1 1283 . 1 . 1 171 171 GLY HA3 H 1 3.950 0.010 . . . . . . A 164 GLY HA3 . 34918 1 1284 . 1 . 1 171 171 GLY C C 13 173.982 0.100 . . . . . . A 164 GLY C . 34918 1 1285 . 1 . 1 171 171 GLY CA C 13 45.277 0.100 . . . . . . A 164 GLY CA . 34918 1 1286 . 1 . 1 171 171 GLY N N 15 110.509 0.050 . . . . . . A 164 GLY N . 34918 1 1287 . 1 . 1 172 172 ALA H H 1 8.225 0.010 . . . . . . A 165 ALA H . 34918 1 1288 . 1 . 1 172 172 ALA HA H 1 4.374 0.010 . . . . . . A 165 ALA HA . 34918 1 1289 . 1 . 1 172 172 ALA HB1 H 1 1.408 0.010 . . . . . . A 165 ALA HB1 . 34918 1 1290 . 1 . 1 172 172 ALA HB2 H 1 1.408 0.010 . . . . . . A 165 ALA HB2 . 34918 1 1291 . 1 . 1 172 172 ALA HB3 H 1 1.408 0.010 . . . . . . A 165 ALA HB3 . 34918 1 1292 . 1 . 1 172 172 ALA C C 13 178.298 0.100 . . . . . . A 165 ALA C . 34918 1 1293 . 1 . 1 172 172 ALA CA C 13 52.624 0.100 . . . . . . A 165 ALA CA . 34918 1 1294 . 1 . 1 172 172 ALA CB C 13 19.398 0.100 . . . . . . A 165 ALA CB . 34918 1 1295 . 1 . 1 172 172 ALA N N 15 123.985 0.050 . . . . . . A 165 ALA N . 34918 1 1296 . 1 . 1 173 173 GLY H H 1 8.405 0.010 . . . . . . A 166 GLY H . 34918 1 1297 . 1 . 1 173 173 GLY HA3 H 1 3.989 0.010 . . . . . . A 166 GLY HA3 . 34918 1 1298 . 1 . 1 173 173 GLY C C 13 174.577 0.100 . . . . . . A 166 GLY C . 34918 1 1299 . 1 . 1 173 173 GLY CA C 13 45.448 0.100 . . . . . . A 166 GLY CA . 34918 1 1300 . 1 . 1 173 173 GLY N N 15 108.075 0.050 . . . . . . A 166 GLY N . 34918 1 1301 . 1 . 1 174 174 GLY H H 1 8.140 0.010 . . . . . . A 167 GLY H . 34918 1 1302 . 1 . 1 174 174 GLY HA3 H 1 3.977 0.010 . . . . . . A 167 GLY HA3 . 34918 1 1303 . 1 . 1 174 174 GLY C C 13 173.061 0.100 . . . . . . A 167 GLY C . 34918 1 1304 . 1 . 1 174 174 GLY CA C 13 45.257 0.100 . . . . . . A 167 GLY CA . 34918 1 1305 . 1 . 1 174 174 GLY N N 15 109.121 0.050 . . . . . . A 167 GLY N . 34918 1 1306 . 1 . 1 175 175 ASP H H 1 7.932 0.010 . . . . . . A 168 ASP H . 34918 1 1307 . 1 . 1 175 175 ASP HA H 1 4.427 0.010 . . . . . . A 168 ASP HA . 34918 1 1308 . 1 . 1 175 175 ASP HB2 H 1 2.680 0.010 . . . . . . A 168 ASP HB2 . 34918 1 1309 . 1 . 1 175 175 ASP HB3 H 1 2.563 0.010 . . . . . . A 168 ASP HB3 . 34918 1 1310 . 1 . 1 175 175 ASP C C 13 180.930 0.100 . . . . . . A 168 ASP C . 34918 1 1311 . 1 . 1 175 175 ASP CA C 13 55.783 0.100 . . . . . . A 168 ASP CA . 34918 1 1312 . 1 . 1 175 175 ASP CB C 13 42.317 0.100 . . . . . . A 168 ASP CB . 34918 1 1313 . 1 . 1 175 175 ASP N N 15 125.631 0.050 . . . . . . A 168 ASP N . 34918 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 34918 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aromatic' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #INAME 1 H #INAME 2 C #INAME 3 h #SPECTRUM C13NOESY HC H C 1 7.513 10.422 114.817 1 T -7.164e+07 0.00e+00 a 0 0 0 0 0 3 7.514 7.514 114.806 1 T -5.391e+08 0.00e+00 a 0 0 0 0 0 4 7.513 7.258 114.807 1 T -1.542e+08 0.00e+00 a 0 0 0 0 0 5 7.513 7.165 114.798 1 T -3.876e+07 0.00e+00 a 0 0 0 0 0 8 6.825 6.825 117.452 1 T 8.837e+08 0.00e+00 a 0 0 0 0 0 9 6.802 6.802 118.334 1 T -4.277e+09 0.00e+00 a 0 0 0 0 0 10 6.802 7.132 118.339 1 T -7.249e+08 0.00e+00 a 0 0 0 0 0 11 6.801 4.664 118.338 1 T -1.861e+08 0.00e+00 a 0 0 0 0 0 12 6.799 4.281 118.386 1 T -3.311e+07 0.00e+00 a 0 0 0 0 0 13 6.801 3.898 118.364 1 T -4.486e+07 0.00e+00 a 0 0 0 0 0 14 6.801 2.960 118.328 1 T -3.977e+07 0.00e+00 a 0 0 0 0 0 15 6.804 2.548 118.332 1 T -9.620e+07 0.00e+00 a 0 0 0 0 0 16 6.802 1.400 118.357 1 T -3.395e+07 0.00e+00 a 0 0 0 0 0 17 6.802 0.914 118.310 1 T -3.737e+07 0.00e+00 a 0 0 0 0 0 18 6.802 1.670 118.320 1 T -2.877e+07 0.00e+00 a 0 0 0 0 0 19 6.804 2.224 118.382 1 T -2.542e+07 0.00e+00 a 0 0 0 0 0 20 6.798 3.223 118.295 1 T -2.439e+07 0.00e+00 a 0 0 0 0 0 21 6.802 3.074 118.416 1 T -3.123e+07 0.00e+00 a 0 0 0 0 0 22 6.959 6.830 119.243 1 T 2.798e+07 0.00e+00 a 0 0 0 0 0 23 6.960 6.961 119.231 1 T 1.411e+09 0.00e+00 a 0 0 0 0 0 24 7.288 7.288 119.495 1 T 1.637e+09 0.00e+00 a 0 0 0 0 0 25 7.288 7.588 119.484 1 T 2.899e+07 0.00e+00 a 0 0 0 0 0 26 7.289 4.881 119.486 1 T 7.435e+07 0.00e+00 a 0 0 0 0 0 27 7.290 4.672 119.489 1 T 8.288e+07 0.00e+00 a 0 0 0 0 0 28 7.289 4.220 119.544 1 T 1.654e+07 0.00e+00 a 0 0 0 0 0 29 7.289 3.603 119.521 1 T 2.524e+07 0.00e+00 a 0 0 0 0 0 30 7.289 3.165 119.545 1 T 2.056e+07 0.00e+00 a 0 0 0 0 0 31 7.289 2.054 119.508 1 T 4.115e+07 0.00e+00 a 0 0 0 0 0 32 7.288 0.816 119.507 1 T 5.272e+07 0.00e+00 a 0 0 0 0 0 33 7.083 7.216 119.949 1 T 2.102e+08 0.00e+00 a 0 0 0 0 0 34 7.038 7.168 119.816 1 T 5.753e+08 0.00e+00 a 0 0 0 0 0 35 7.083 7.084 119.916 1 T 1.259e+10 0.00e+00 a 0 0 0 0 0 36 7.038 7.038 119.818 1 T 3.219e+10 0.00e+00 a 0 0 0 0 0 37 6.991 6.992 119.690 1 T 1.323e+09 0.00e+00 a 0 0 0 0 0 38 7.083 6.955 119.940 1 T 2.265e+08 0.00e+00 a 0 0 0 0 0 39 7.038 6.909 119.803 1 T 6.020e+08 0.00e+00 a 0 0 0 0 0 40 7.182 7.184 119.846 1 T 1.163e+09 0.00e+00 a 0 0 0 0 0 41 7.111 7.112 119.810 1 T 5.200e+09 0.00e+00 a 0 0 0 0 0 43 7.039 4.652 119.809 1 T 4.321e+08 0.00e+00 a 0 0 0 0 0 44 7.038 3.009 119.831 1 T 1.754e+08 0.00e+00 a 0 0 0 0 0 45 7.043 2.302 119.814 1 T 3.607e+08 0.00e+00 a 0 0 0 0 0 46 7.086 2.260 119.917 1 T 1.534e+08 0.00e+00 a 0 0 0 0 0 47 7.038 3.086 119.841 1 T 9.658e+07 0.00e+00 a 0 0 0 0 0 50 7.111 6.983 119.810 1 T 1.260e+08 0.00e+00 a 0 0 0 0 0 51 7.109 7.233 119.810 1 T 1.031e+08 0.00e+00 a 0 0 0 0 0 52 7.672 7.672 120.411 1 T -2.154e+08 0.00e+00 a 0 0 0 0 0 53 7.670 0.892 120.411 1 T -4.530e+07 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8.005 136.596 1 T 1.431e+08 0.00e+00 a 0 0 0 0 0 777 8.151 8.151 136.604 1 T 1.457e+09 0.00e+00 a 0 0 0 0 0 778 8.205 8.063 136.574 1 T 3.512e+07 0.00e+00 a 0 0 0 0 0 779 8.150 8.290 136.606 1 T 1.375e+08 0.00e+00 a 0 0 0 0 0 780 8.208 8.350 136.573 1 T 3.861e+07 0.00e+00 a 0 0 0 0 0 781 8.208 8.207 136.086 1 T 1.335e+08 0.00e+00 a 0 0 0 0 0 782 8.233 8.090 136.572 1 T 1.705e+07 0.00e+00 a 0 0 0 0 0 783 8.278 8.275 136.293 1 T 2.518e+07 0.00e+00 a 0 0 0 0 0 784 8.255 8.252 136.319 1 T 2.919e+07 0.00e+00 a 0 0 0 0 0 785 8.147 4.673 136.580 1 T -4.809e+07 0.00e+00 a 0 0 0 0 0 786 8.150 4.134 136.410 1 T -1.367e+07 0.00e+00 a 0 0 0 0 0 787 8.148 2.687 136.446 1 T 2.025e+07 0.00e+00 a 0 0 0 0 0 788 8.157 3.082 136.491 1 T 1.848e+07 0.00e+00 a 0 0 0 0 0 789 8.157 3.040 136.575 1 T -2.938e+07 0.00e+00 a 0 0 0 0 0 790 8.154 2.950 136.456 1 T 1.362e+07 0.00e+00 a 0 0 0 0 0 792 8.157 1.189 136.685 1 T -2.691e+07 0.00e+00 a 0 0 0 0 0 793 8.410 3.803 137.564 1 T -1.322e+07 0.00e+00 a 0 0 0 0 0 794 8.421 3.781 137.614 1 T -1.160e+07 0.00e+00 a 0 0 0 0 0 795 8.424 4.682 137.536 1 T -3.953e+07 0.00e+00 a 0 0 0 0 0 797 8.412 4.580 137.533 1 T -8.510e+06 0.00e+00 a 0 0 0 0 0 798 8.424 3.689 137.592 1 T -8.501e+06 0.00e+00 a 0 0 0 0 0 799 8.424 3.588 137.684 1 T -8.667e+06 0.00e+00 a 0 0 0 0 0 800 7.375 3.339 139.105 1 T -1.233e+07 0.00e+00 a 0 0 0 0 0 801 7.323 7.323 138.907 1 T -1.941e+08 0.00e+00 a 0 0 0 0 0 802 7.317 7.227 139.173 1 T -1.754e+07 0.00e+00 a 0 0 0 0 0 803 7.323 7.188 138.901 1 T -2.244e+07 0.00e+00 a 0 0 0 0 0 804 7.326 7.464 138.934 1 T -1.300e+07 0.00e+00 a 0 0 0 0 0 805 7.480 7.481 139.210 1 T -2.365e+07 0.00e+00 a 0 0 0 0 0 806 8.021 7.882 138.321 1 T -4.018e+07 0.00e+00 a 0 0 0 0 0 807 8.006 7.866 138.265 1 T -4.234e+07 0.00e+00 a 0 0 0 0 0 808 8.027 8.171 138.415 1 T -2.299e+07 0.00e+00 a 0 0 0 0 0 809 8.005 8.180 137.835 1 T 8.439e+06 0.00e+00 a 0 0 0 0 0 811 8.016 8.160 138.394 1 T -2.618e+07 0.00e+00 a 0 0 0 0 0 812 7.982 8.121 138.135 1 T -7.803e+07 0.00e+00 a 0 0 0 0 0 813 5.993 3.677 107.646 1 T 3.603e+06 0.00e+00 a 0 0 0 0 0 814 7.514 7.622 114.802 1 T -2.401e+07 0.00e+00 a 0 0 0 0 0 816 7.157 7.387 122.062 1 T -9.493e+06 0.00e+00 a 0 0 0 0 0 817 7.152 7.517 122.155 1 T -1.489e+07 0.00e+00 a 0 0 0 0 0 818 7.168 4.130 122.066 1 T -8.951e+06 0.00e+00 a 0 0 0 0 0 819 7.159 4.504 122.295 1 T -8.950e+06 0.00e+00 a 0 0 0 0 0 820 7.155 2.278 122.375 1 T -8.941e+06 0.00e+00 a 0 0 0 0 0 821 7.145 1.595 122.110 1 T -9.599e+06 0.00e+00 a 0 0 0 0 0 823 7.155 1.863 122.033 1 T -1.080e+07 0.00e+00 a 0 0 0 0 0 825 7.239 1.555 124.744 1 T -6.828e+06 0.00e+00 a 0 0 0 0 0 826 7.265 1.687 124.824 1 T -6.340e+06 0.00e+00 a 0 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H-aromatic . 'not observed' 9009 Hz . . . 4.67 . . 34918 1 2 . . H 1 H . 'not observed' 8993 Hz . . . 4.67 . . 34918 1 3 . . C 13 C-aromatic . 'not observed' 7541 Hz . . . 127.6 . . 34918 1 stop_ save_