data_50012 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50012 _Entry.Title ; Assignment of 15N labelled IMP13 metallo beta-lactamase (apo-state) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-09-11 _Entry.Accession_date 2019-09-11 _Entry.Last_release_date 2019-09-11 _Entry.Original_release_date 2019-09-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _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 Charlotte Softley . . . . 50012 2 Krzysztof Zak . M. . . 50012 3 Mark Bostock . J. . . 50012 4 Roberto Fino . . . . 50012 5 Richard Zhou . X. . . 50012 6 Marta Kolonko . . . . 50012 7 Ramona Mejdi-Nitiu . . . . 50012 8 Hannelore Meyer . . . . 50012 9 Michael Sattler . . . . 50012 10 Grzegorz Popowicz . . . . 50012 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Biomolecular NMR and Center for Integrated Protein Science Munich at Department Chemie, Technical University of Munich' . 50012 2 . 'Institute of Structural Biology, Helmholtz Zentrum Muenchen' . 50012 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID spectral_peak_list 1 50012 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID . . 50012 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 . . 2020-03-19 . original BMRB . 50012 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50013 'IMP13 metallo beta-lactamase bound to hydrolysed ertapenem' 50012 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50012 _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 ; Structure and molecular recognition mechanism of IMP-13 beta-lactamase ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Antimicrobial Agents and Chemotherapy' _Citation.Journal_name_full 'Antimicrobial Agents and Chemotherapy' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Charlotte Softley . . . . 50012 1 2 Krzysztof Zak . M. . . 50012 1 3 Mark Bostock . J. . . 50012 1 4 Roberto Fino . . . . 50012 1 5 Richard Zhou . X. . . 50012 1 6 Marta Kolonko . . . . 50012 1 7 Ramona Mejdi-Nitiu . . . . 50012 1 8 Hannelore Meyer . . . . 50012 1 9 Michael Sattler . . . . 50012 1 10 Grzegorz Popowicz . . . . 50012 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50012 _Assembly.ID 1 _Assembly.Name IMP13 _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 25272.7907 _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 IMP13 1 $entity_1 . . yes native no no . . . 50012 1 2 zinc_1 2 $entity_ZN . . no native no no . . . 50012 1 3 zinc_2 2 $entity_ZN . . no native no no . . . 50012 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 'metal coordination' single . 1 . 1 HIS 77 77 NE2 . 2 . 2 ZN 1 1 ZN . . . 77 HIS NE2 . zinc_1 . . . . 50012 1 2 'metal coordination' single . 1 . 1 HIS 79 79 ND1 . 2 . 2 ZN 1 1 ZN . . . 79 HIS ND1 . zinc_1 . . . . 50012 1 3 'metal coordination' single . 1 . 1 HIS 139 139 NE2 . 2 . 2 ZN 1 1 ZN . . . 139 HIS NE2 . zinc_1 . . . . 50012 1 4 'metal coordination' single . 1 . 1 ASP 81 81 OD2 . 3 . 2 ZN 1 1 ZN . . . 81 ASP OD2 . zinc_2 . . . . 50012 1 5 'metal coordination' single . 1 . 1 CYS 158 158 SG . 3 . 2 ZN 1 1 ZN . . . 158 CYS SG . zinc_2 . . . . 50012 1 6 'metal coordination' single . 1 . 1 HIS 197 197 NE2 . 3 . 2 ZN 1 1 ZN . . . 197 HIS NE2 . zinc_2 . . . . 50012 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50012 _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 ; MGALPDLKIEKLEEGVFVHT SFEEVNGWGVVTKHGLVVLV NTDAYLIDTPFTATDTEKLV NWFVERGYEIKGTISSHFHS DSTGGIEWLNSQSIPTYASE LTNELLKKSGKVQAKYSFSE VSYWLVKNKIEVFYPGPGHT QDNLVVWLPESKILFGGCFI KPHGLGNLGDANLEAWPKSA KILMSKYGKAKLVVSSHSEK GDASLMKRTWEQALKGLKES KKTSSPSN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 228 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 25272.7907 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Metallo beta-lactamase' 50012 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 50012 1 2 . GLY . 50012 1 3 . ALA . 50012 1 4 . LEU . 50012 1 5 . PRO . 50012 1 6 . ASP . 50012 1 7 . LEU . 50012 1 8 . LYS . 50012 1 9 . ILE . 50012 1 10 . GLU . 50012 1 11 . LYS . 50012 1 12 . LEU . 50012 1 13 . GLU . 50012 1 14 . GLU . 50012 1 15 . GLY . 50012 1 16 . VAL . 50012 1 17 . PHE . 50012 1 18 . VAL . 50012 1 19 . HIS . 50012 1 20 . THR . 50012 1 21 . SER . 50012 1 22 . PHE . 50012 1 23 . GLU . 50012 1 24 . GLU . 50012 1 25 . VAL . 50012 1 26 . ASN . 50012 1 27 . GLY . 50012 1 28 . TRP . 50012 1 29 . GLY . 50012 1 30 . VAL . 50012 1 31 . VAL . 50012 1 32 . THR . 50012 1 33 . LYS . 50012 1 34 . HIS . 50012 1 35 . GLY . 50012 1 36 . LEU . 50012 1 37 . VAL . 50012 1 38 . VAL . 50012 1 39 . LEU . 50012 1 40 . VAL . 50012 1 41 . ASN . 50012 1 42 . THR . 50012 1 43 . ASP . 50012 1 44 . ALA . 50012 1 45 . TYR . 50012 1 46 . LEU . 50012 1 47 . ILE . 50012 1 48 . ASP . 50012 1 49 . THR . 50012 1 50 . PRO . 50012 1 51 . PHE . 50012 1 52 . THR . 50012 1 53 . ALA . 50012 1 54 . THR . 50012 1 55 . ASP . 50012 1 56 . THR . 50012 1 57 . GLU . 50012 1 58 . LYS . 50012 1 59 . LEU . 50012 1 60 . VAL . 50012 1 61 . ASN . 50012 1 62 . TRP . 50012 1 63 . PHE . 50012 1 64 . VAL . 50012 1 65 . GLU . 50012 1 66 . ARG . 50012 1 67 . GLY . 50012 1 68 . TYR . 50012 1 69 . GLU . 50012 1 70 . ILE . 50012 1 71 . LYS . 50012 1 72 . GLY . 50012 1 73 . THR . 50012 1 74 . ILE . 50012 1 75 . SER . 50012 1 76 . SER . 50012 1 77 . HIS . 50012 1 78 . PHE . 50012 1 79 . HIS . 50012 1 80 . SER . 50012 1 81 . ASP . 50012 1 82 . SER . 50012 1 83 . THR . 50012 1 84 . GLY . 50012 1 85 . GLY . 50012 1 86 . ILE . 50012 1 87 . GLU . 50012 1 88 . TRP . 50012 1 89 . LEU . 50012 1 90 . ASN . 50012 1 91 . SER . 50012 1 92 . GLN . 50012 1 93 . SER . 50012 1 94 . ILE . 50012 1 95 . PRO . 50012 1 96 . THR . 50012 1 97 . TYR . 50012 1 98 . ALA . 50012 1 99 . SER . 50012 1 100 . GLU . 50012 1 101 . LEU . 50012 1 102 . THR . 50012 1 103 . ASN . 50012 1 104 . GLU . 50012 1 105 . LEU . 50012 1 106 . LEU . 50012 1 107 . LYS . 50012 1 108 . LYS . 50012 1 109 . SER . 50012 1 110 . GLY . 50012 1 111 . LYS . 50012 1 112 . VAL . 50012 1 113 . GLN . 50012 1 114 . ALA . 50012 1 115 . LYS . 50012 1 116 . TYR . 50012 1 117 . SER . 50012 1 118 . PHE . 50012 1 119 . SER . 50012 1 120 . GLU . 50012 1 121 . VAL . 50012 1 122 . SER . 50012 1 123 . TYR . 50012 1 124 . TRP . 50012 1 125 . LEU . 50012 1 126 . VAL . 50012 1 127 . LYS . 50012 1 128 . ASN . 50012 1 129 . LYS . 50012 1 130 . ILE . 50012 1 131 . GLU . 50012 1 132 . VAL . 50012 1 133 . PHE . 50012 1 134 . TYR . 50012 1 135 . PRO . 50012 1 136 . GLY . 50012 1 137 . PRO . 50012 1 138 . GLY . 50012 1 139 . HIS . 50012 1 140 . THR . 50012 1 141 . GLN . 50012 1 142 . ASP . 50012 1 143 . ASN . 50012 1 144 . LEU . 50012 1 145 . VAL . 50012 1 146 . VAL . 50012 1 147 . TRP . 50012 1 148 . LEU . 50012 1 149 . PRO . 50012 1 150 . GLU . 50012 1 151 . SER . 50012 1 152 . LYS . 50012 1 153 . ILE . 50012 1 154 . LEU . 50012 1 155 . PHE . 50012 1 156 . GLY . 50012 1 157 . GLY . 50012 1 158 . CYS . 50012 1 159 . PHE . 50012 1 160 . ILE . 50012 1 161 . LYS . 50012 1 162 . PRO . 50012 1 163 . HIS . 50012 1 164 . GLY . 50012 1 165 . LEU . 50012 1 166 . GLY . 50012 1 167 . ASN . 50012 1 168 . LEU . 50012 1 169 . GLY . 50012 1 170 . ASP . 50012 1 171 . ALA . 50012 1 172 . ASN . 50012 1 173 . LEU . 50012 1 174 . GLU . 50012 1 175 . ALA . 50012 1 176 . TRP . 50012 1 177 . PRO . 50012 1 178 . LYS . 50012 1 179 . SER . 50012 1 180 . ALA . 50012 1 181 . LYS . 50012 1 182 . ILE . 50012 1 183 . LEU . 50012 1 184 . MET . 50012 1 185 . SER . 50012 1 186 . LYS . 50012 1 187 . TYR . 50012 1 188 . GLY . 50012 1 189 . LYS . 50012 1 190 . ALA . 50012 1 191 . LYS . 50012 1 192 . LEU . 50012 1 193 . VAL . 50012 1 194 . VAL . 50012 1 195 . SER . 50012 1 196 . SER . 50012 1 197 . HIS . 50012 1 198 . SER . 50012 1 199 . GLU . 50012 1 200 . LYS . 50012 1 201 . GLY . 50012 1 202 . ASP . 50012 1 203 . ALA . 50012 1 204 . SER . 50012 1 205 . LEU . 50012 1 206 . MET . 50012 1 207 . LYS . 50012 1 208 . ARG . 50012 1 209 . THR . 50012 1 210 . TRP . 50012 1 211 . GLU . 50012 1 212 . GLN . 50012 1 213 . ALA . 50012 1 214 . LEU . 50012 1 215 . LYS . 50012 1 216 . GLY . 50012 1 217 . LEU . 50012 1 218 . LYS . 50012 1 219 . GLU . 50012 1 220 . SER . 50012 1 221 . LYS . 50012 1 222 . LYS . 50012 1 223 . THR . 50012 1 224 . SER . 50012 1 225 . SER . 50012 1 226 . PRO . 50012 1 227 . SER . 50012 1 228 . ASN . 50012 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 50012 1 . GLY 2 2 50012 1 . ALA 3 3 50012 1 . LEU 4 4 50012 1 . PRO 5 5 50012 1 . ASP 6 6 50012 1 . LEU 7 7 50012 1 . LYS 8 8 50012 1 . ILE 9 9 50012 1 . GLU 10 10 50012 1 . LYS 11 11 50012 1 . LEU 12 12 50012 1 . GLU 13 13 50012 1 . GLU 14 14 50012 1 . GLY 15 15 50012 1 . VAL 16 16 50012 1 . PHE 17 17 50012 1 . VAL 18 18 50012 1 . HIS 19 19 50012 1 . THR 20 20 50012 1 . SER 21 21 50012 1 . PHE 22 22 50012 1 . GLU 23 23 50012 1 . GLU 24 24 50012 1 . VAL 25 25 50012 1 . ASN 26 26 50012 1 . GLY 27 27 50012 1 . TRP 28 28 50012 1 . GLY 29 29 50012 1 . VAL 30 30 50012 1 . VAL 31 31 50012 1 . THR 32 32 50012 1 . LYS 33 33 50012 1 . HIS 34 34 50012 1 . GLY 35 35 50012 1 . LEU 36 36 50012 1 . VAL 37 37 50012 1 . VAL 38 38 50012 1 . LEU 39 39 50012 1 . VAL 40 40 50012 1 . ASN 41 41 50012 1 . THR 42 42 50012 1 . ASP 43 43 50012 1 . ALA 44 44 50012 1 . TYR 45 45 50012 1 . LEU 46 46 50012 1 . ILE 47 47 50012 1 . ASP 48 48 50012 1 . THR 49 49 50012 1 . PRO 50 50 50012 1 . PHE 51 51 50012 1 . THR 52 52 50012 1 . ALA 53 53 50012 1 . THR 54 54 50012 1 . ASP 55 55 50012 1 . THR 56 56 50012 1 . GLU 57 57 50012 1 . LYS 58 58 50012 1 . LEU 59 59 50012 1 . VAL 60 60 50012 1 . ASN 61 61 50012 1 . TRP 62 62 50012 1 . PHE 63 63 50012 1 . VAL 64 64 50012 1 . GLU 65 65 50012 1 . ARG 66 66 50012 1 . GLY 67 67 50012 1 . TYR 68 68 50012 1 . GLU 69 69 50012 1 . ILE 70 70 50012 1 . LYS 71 71 50012 1 . GLY 72 72 50012 1 . THR 73 73 50012 1 . ILE 74 74 50012 1 . SER 75 75 50012 1 . SER 76 76 50012 1 . HIS 77 77 50012 1 . PHE 78 78 50012 1 . HIS 79 79 50012 1 . SER 80 80 50012 1 . ASP 81 81 50012 1 . SER 82 82 50012 1 . THR 83 83 50012 1 . GLY 84 84 50012 1 . GLY 85 85 50012 1 . ILE 86 86 50012 1 . GLU 87 87 50012 1 . TRP 88 88 50012 1 . LEU 89 89 50012 1 . ASN 90 90 50012 1 . SER 91 91 50012 1 . GLN 92 92 50012 1 . SER 93 93 50012 1 . ILE 94 94 50012 1 . PRO 95 95 50012 1 . THR 96 96 50012 1 . TYR 97 97 50012 1 . ALA 98 98 50012 1 . SER 99 99 50012 1 . GLU 100 100 50012 1 . LEU 101 101 50012 1 . THR 102 102 50012 1 . ASN 103 103 50012 1 . GLU 104 104 50012 1 . LEU 105 105 50012 1 . LEU 106 106 50012 1 . LYS 107 107 50012 1 . LYS 108 108 50012 1 . SER 109 109 50012 1 . GLY 110 110 50012 1 . LYS 111 111 50012 1 . VAL 112 112 50012 1 . GLN 113 113 50012 1 . ALA 114 114 50012 1 . LYS 115 115 50012 1 . TYR 116 116 50012 1 . SER 117 117 50012 1 . PHE 118 118 50012 1 . SER 119 119 50012 1 . GLU 120 120 50012 1 . VAL 121 121 50012 1 . SER 122 122 50012 1 . TYR 123 123 50012 1 . TRP 124 124 50012 1 . LEU 125 125 50012 1 . VAL 126 126 50012 1 . LYS 127 127 50012 1 . ASN 128 128 50012 1 . LYS 129 129 50012 1 . ILE 130 130 50012 1 . GLU 131 131 50012 1 . VAL 132 132 50012 1 . PHE 133 133 50012 1 . TYR 134 134 50012 1 . PRO 135 135 50012 1 . GLY 136 136 50012 1 . PRO 137 137 50012 1 . GLY 138 138 50012 1 . HIS 139 139 50012 1 . THR 140 140 50012 1 . GLN 141 141 50012 1 . ASP 142 142 50012 1 . ASN 143 143 50012 1 . LEU 144 144 50012 1 . VAL 145 145 50012 1 . VAL 146 146 50012 1 . TRP 147 147 50012 1 . LEU 148 148 50012 1 . PRO 149 149 50012 1 . GLU 150 150 50012 1 . SER 151 151 50012 1 . LYS 152 152 50012 1 . ILE 153 153 50012 1 . LEU 154 154 50012 1 . PHE 155 155 50012 1 . GLY 156 156 50012 1 . GLY 157 157 50012 1 . CYS 158 158 50012 1 . PHE 159 159 50012 1 . ILE 160 160 50012 1 . LYS 161 161 50012 1 . PRO 162 162 50012 1 . HIS 163 163 50012 1 . GLY 164 164 50012 1 . LEU 165 165 50012 1 . GLY 166 166 50012 1 . ASN 167 167 50012 1 . LEU 168 168 50012 1 . GLY 169 169 50012 1 . ASP 170 170 50012 1 . ALA 171 171 50012 1 . ASN 172 172 50012 1 . LEU 173 173 50012 1 . GLU 174 174 50012 1 . ALA 175 175 50012 1 . TRP 176 176 50012 1 . PRO 177 177 50012 1 . LYS 178 178 50012 1 . SER 179 179 50012 1 . ALA 180 180 50012 1 . LYS 181 181 50012 1 . ILE 182 182 50012 1 . LEU 183 183 50012 1 . MET 184 184 50012 1 . SER 185 185 50012 1 . LYS 186 186 50012 1 . TYR 187 187 50012 1 . GLY 188 188 50012 1 . LYS 189 189 50012 1 . ALA 190 190 50012 1 . LYS 191 191 50012 1 . LEU 192 192 50012 1 . VAL 193 193 50012 1 . VAL 194 194 50012 1 . SER 195 195 50012 1 . SER 196 196 50012 1 . HIS 197 197 50012 1 . SER 198 198 50012 1 . GLU 199 199 50012 1 . LYS 200 200 50012 1 . GLY 201 201 50012 1 . ASP 202 202 50012 1 . ALA 203 203 50012 1 . SER 204 204 50012 1 . LEU 205 205 50012 1 . MET 206 206 50012 1 . LYS 207 207 50012 1 . ARG 208 208 50012 1 . THR 209 209 50012 1 . TRP 210 210 50012 1 . GLU 211 211 50012 1 . GLN 212 212 50012 1 . ALA 213 213 50012 1 . LEU 214 214 50012 1 . LYS 215 215 50012 1 . GLY 216 216 50012 1 . LEU 217 217 50012 1 . LYS 218 218 50012 1 . GLU 219 219 50012 1 . SER 220 220 50012 1 . LYS 221 221 50012 1 . LYS 222 222 50012 1 . THR 223 223 50012 1 . SER 224 224 50012 1 . SER 225 225 50012 1 . PRO 226 226 50012 1 . SER 227 227 50012 1 . ASN 228 228 50012 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 50012 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 50012 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 50012 2 ZN 'Three letter code' 50012 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 50012 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50012 _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 . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . 50012 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50012 _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' . . . Escherichia coli . . . plasmid . . pETM-11 . . . 50012 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 50012 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 50012 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 50012 ZN [Zn++] SMILES CACTVS 3.341 50012 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 50012 ZN [Zn+2] SMILES ACDLabs 10.04 50012 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 50012 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50012 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 50012 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50012 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 50012 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50012 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% 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 IMP13 '[U-100% 15N; U-100% 13C]' . . 1 $entity_1 . . 0.55 0.5 0.6 mM . . . . 50012 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 50012 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 50012 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 50012 _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' 0.15 . M 50012 1 pH 7 . pH 50012 1 pressure 1 . atm 50012 1 temperature 298 . K 50012 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50012 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 50012 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50012 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50012 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50012 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50012 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 50012 _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 . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . aliased 6410.2565 Hz . . . . . . 50012 1 2 . . N 15 15N . aliased 2838.1860 Hz . . . . . . 50012 1 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 50012 1 2 1.0 . . 50012 1 3 1.0 . . 50012 1 4 1.0 . . 50012 1 5 1.0 . . 50012 1 6 1.0 . . 50012 1 7 1.0 . . 50012 1 8 1.0 . . 50012 1 9 1.0 . . 50012 1 10 1.0 . . 50012 1 11 1.0 . . 50012 1 12 1.0 . . 50012 1 13 1.0 . . 50012 1 14 1.0 . . 50012 1 15 1.0 . . 50012 1 16 1.0 . . 50012 1 17 1.0 . . 50012 1 18 1.0 . . 50012 1 19 1.0 . . 50012 1 20 1.0 . . 50012 1 21 1.0 . . 50012 1 22 1.0 . . 50012 1 23 1.0 . . 50012 1 24 1.0 . . 50012 1 25 1.0 . . 50012 1 26 1.0 . . 50012 1 27 1.0 . . 50012 1 28 1.0 . . 50012 1 29 1.0 . . 50012 1 30 1.0 . . 50012 1 31 1.0 . . 50012 1 32 1.0 . . 50012 1 33 1.0 . . 50012 1 34 1.0 . . 50012 1 35 1.0 . . 50012 1 36 1.0 . . 50012 1 37 1.0 . . 50012 1 38 1.0 . . 50012 1 39 1.0 . . 50012 1 40 1.0 . . 50012 1 41 1.0 . . 50012 1 42 1.0 . . 50012 1 43 1.0 . . 50012 1 44 1.0 . . 50012 1 45 1.0 . . 50012 1 46 1.0 . . 50012 1 47 1.0 . . 50012 1 48 1.0 . . 50012 1 49 1.0 . . 50012 1 50 1.0 . . 50012 1 51 1.0 . . 50012 1 52 1.0 . . 50012 1 53 1.0 . . 50012 1 54 1.0 . . 50012 1 55 1.0 . . 50012 1 56 1.0 . . 50012 1 57 1.0 . . 50012 1 58 1.0 . . 50012 1 59 1.0 . . 50012 1 60 1.0 . . 50012 1 61 1.0 . . 50012 1 62 1.0 . . 50012 1 63 1.0 . . 50012 1 64 1.0 . . 50012 1 65 1.0 . . 50012 1 66 1.0 . . 50012 1 67 1.0 . . 50012 1 68 1.0 . . 50012 1 69 1.0 . . 50012 1 70 1.0 . . 50012 1 71 1.0 . . 50012 1 72 1.0 . . 50012 1 73 1.0 . . 50012 1 74 1.0 . . 50012 1 75 1.0 . . 50012 1 76 1.0 . . 50012 1 77 1.0 . . 50012 1 78 1.0 . . 50012 1 79 1.0 . . 50012 1 80 1.0 . . 50012 1 81 1.0 . . 50012 1 82 1.0 . . 50012 1 83 1.0 . . 50012 1 84 1.0 . . 50012 1 85 1.0 . . 50012 1 86 1.0 . . 50012 1 87 1.0 . . 50012 1 88 1.0 . . 50012 1 89 1.0 . . 50012 1 90 1.0 . . 50012 1 91 1.0 . . 50012 1 92 1.0 . . 50012 1 93 1.0 . . 50012 1 94 1.0 . . 50012 1 95 1.0 . . 50012 1 96 1.0 . . 50012 1 97 1.0 . . 50012 1 98 1.0 . . 50012 1 99 1.0 . . 50012 1 100 1.0 . . 50012 1 101 1.0 . . 50012 1 102 1.0 . . 50012 1 103 1.0 . . 50012 1 104 1.0 . . 50012 1 105 1.0 . . 50012 1 106 1.0 . . 50012 1 107 1.0 . . 50012 1 108 1.0 . . 50012 1 109 1.0 . . 50012 1 110 1.0 . . 50012 1 111 1.0 . . 50012 1 112 1.0 . . 50012 1 113 1.0 . . 50012 1 114 1.0 . . 50012 1 115 1.0 . . 50012 1 116 1.0 . . 50012 1 117 1.0 . . 50012 1 118 1.0 . . 50012 1 119 1.0 . . 50012 1 120 1.0 . . 50012 1 121 1.0 . . 50012 1 122 1.0 . . 50012 1 123 1.0 . . 50012 1 124 1.0 . . 50012 1 125 1.0 . . 50012 1 126 1.0 . . 50012 1 127 1.0 . . 50012 1 128 1.0 . . 50012 1 129 1.0 . . 50012 1 130 1.0 . . 50012 1 131 1.0 . . 50012 1 132 1.0 . . 50012 1 133 1.0 . . 50012 1 134 1.0 . . 50012 1 135 1.0 . . 50012 1 136 1.0 . . 50012 1 137 1.0 . . 50012 1 138 1.0 . . 50012 1 139 1.0 . . 50012 1 140 1.0 . . 50012 1 141 1.0 . . 50012 1 142 1.0 . . 50012 1 143 1.0 . . 50012 1 144 1.0 . . 50012 1 145 1.0 . . 50012 1 146 1.0 . . 50012 1 147 1.0 . . 50012 1 148 1.0 . . 50012 1 149 1.0 . . 50012 1 150 1.0 . . 50012 1 151 1.0 . . 50012 1 152 1.0 . . 50012 1 153 1.0 . . 50012 1 154 1.0 . . 50012 1 155 1.0 . . 50012 1 156 1.0 . . 50012 1 157 1.0 . . 50012 1 158 1.0 . . 50012 1 159 1.0 . . 50012 1 160 1.0 . . 50012 1 161 1.0 . . 50012 1 162 1.0 . . 50012 1 163 1.0 . . 50012 1 164 1.0 . . 50012 1 165 1.0 . . 50012 1 166 1.0 . . 50012 1 167 1.0 . . 50012 1 168 1.0 . . 50012 1 169 1.0 . . 50012 1 170 1.0 . . 50012 1 171 1.0 . . 50012 1 172 1.0 . . 50012 1 173 1.0 . . 50012 1 174 1.0 . . 50012 1 175 1.0 . . 50012 1 176 1.0 . . 50012 1 177 1.0 . . 50012 1 178 1.0 . . 50012 1 179 1.0 . . 50012 1 180 1.0 . . 50012 1 181 1.0 . . 50012 1 182 1.0 . . 50012 1 183 1.0 . . 50012 1 184 1.0 . . 50012 1 185 1.0 . . 50012 1 186 1.0 . . 50012 1 187 1.0 . . 50012 1 188 1.0 . . 50012 1 189 1.0 . . 50012 1 190 1.0 . . 50012 1 191 1.0 . . 50012 1 192 1.0 . . 50012 1 193 1.0 . . 50012 1 194 1.0 . . 50012 1 195 1.0 . . 50012 1 196 1.0 . . 50012 1 197 1.0 . . 50012 1 198 1.0 . . 50012 1 199 1.0 . . 50012 1 200 1.0 . . 50012 1 201 1.0 . . 50012 1 202 1.0 . . 50012 1 203 1.0 . . 50012 1 204 1.0 . . 50012 1 205 1.0 . . 50012 1 206 1.0 . . 50012 1 207 1.0 . . 50012 1 208 1.0 . . 50012 1 209 1.0 . . 50012 1 210 1.0 . . 50012 1 211 1.0 . . 50012 1 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 18047964.0 . height 50012 1 1 156220347.0 . volume 50012 1 2 43552728.0 . height 50012 1 2 375305712.0 . volume 50012 1 3 37760664.0 . height 50012 1 3 326127592.0 . volume 50012 1 4 83740968.0 . height 50012 1 4 718180224.0 . volume 50012 1 5 78283176.0 . height 50012 1 5 672221152.0 . volume 50012 1 6 102079392.0 . height 50012 1 6 875442968.0 . volume 50012 1 7 36977276.0 . height 50012 1 7 319183962.0 . volume 50012 1 8 20970258.0 . height 50012 1 8 181265496.0 . volume 50012 1 9 180167504.0 . height 50012 1 9 1537099472.0 . volume 50012 1 10 48170216.0 . height 50012 1 10 418069580.0 . volume 50012 1 11 47284236.0 . height 50012 1 11 407702680.0 . volume 50012 1 12 118428224.0 . height 50012 1 12 1014162992.0 . volume 50012 1 13 65162816.0 . height 50012 1 13 559948896.0 . volume 50012 1 14 76651160.0 . height 50012 1 14 657692624.0 . volume 50012 1 15 35754452.0 . height 50012 1 15 307637632.0 . volume 50012 1 16 13456115.0 . height 50012 1 16 117745303.0 . volume 50012 1 17 73335072.0 . height 50012 1 17 635611936.0 . volume 50012 1 18 44191520.0 . height 50012 1 18 380576832.0 . volume 50012 1 19 56427484.0 . height 50012 1 19 492950748.0 . volume 50012 1 20 56406112.0 . height 50012 1 20 485230224.0 . volume 50012 1 21 13649669.0 . height 50012 1 21 118952943.0 . volume 50012 1 22 39072192.0 . height 50012 1 22 337298800.0 . volume 50012 1 23 50143908.0 . height 50012 1 23 431757616.0 . volume 50012 1 24 57346632.0 . height 50012 1 24 492388916.0 . volume 50012 1 25 67820440.0 . height 50012 1 25 580947504.0 . volume 50012 1 26 47833808.0 . height 50012 1 26 412143536.0 . volume 50012 1 27 40733512.0 . height 50012 1 27 351330560.0 . volume 50012 1 28 55740624.0 . height 50012 1 28 479312416.0 . volume 50012 1 29 514775136.0 . height 50012 1 29 4321270656.0 . volume 50012 1 30 70207904.0 . height 50012 1 30 603705760.0 . volume 50012 1 31 54971112.0 . height 50012 1 31 474965024.0 . volume 50012 1 32 86351976.0 . height 50012 1 32 739527288.0 . volume 50012 1 33 72615504.0 . height 50012 1 33 623224596.0 . volume 50012 1 34 48329080.0 . height 50012 1 34 415107580.0 . volume 50012 1 35 51418616.0 . height 50012 1 35 443009992.0 . volume 50012 1 36 63012112.0 . height 50012 1 36 542172588.0 . volume 50012 1 37 56709404.0 . height 50012 1 37 488460196.0 . volume 50012 1 38 72833088.0 . height 50012 1 38 624876720.0 . volume 50012 1 39 53004628.0 . height 50012 1 39 456069072.0 . volume 50012 1 40 41859440.0 . height 50012 1 40 359596556.0 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. . . . . . . . . . . 50012 1 74 1 8.057 . 31.4410684781 . . . . . . . . . . . 50012 1 74 2 121.090 . 21.8890395057 . . . . . . . . . . . 50012 1 75 1 7.904 . 29.7656430230 . . . . . . . . . . . 50012 1 75 2 121.102 . 21.6753789724 . . . . . . . . . . . 50012 1 76 1 7.562 . 30.1347333285 . . . . . . . . . . . 50012 1 76 2 121.104 . 20.8549935755 . . . . . . . . . . . 50012 1 77 1 9.491 . 31.3785982246 . . . . . . . . . . . 50012 1 77 2 121.001 . 21.6357934104 . . . . . . . . . . . 50012 1 78 1 9.332 . 32.1588077524 . . . . . . . . . . . 50012 1 78 2 120.950 . 23.9507029415 . . . . . . . . . . . 50012 1 79 1 8.841 . 29.5243588326 . . . . . . . . . . . 50012 1 79 2 120.701 . 22.6684859880 . . . . . . . . . . . 50012 1 80 1 7.994 . 29.6620990553 . . . . . . . . . . . 50012 1 80 2 120.588 . 21.7429620152 . . . . . . . . . . . 50012 1 81 1 10.785 . 35.1649260248 . . . . . . . . . . . 50012 1 81 2 120.550 . 22.5159800729 . . . . . . . . . . . 50012 1 82 1 8.125 . 42.3227371126 . . . . . . . . . . . 50012 1 82 2 120.457 . 23.5953633134 . . . . . . . . . . . 50012 1 83 1 7.877 . 29.8760644498 . . . . . . . . . . . 50012 1 83 2 120.324 . 21.8384579542 . . . . . . . . . . . 50012 1 84 1 8.556 . 29.1397942441 . . . . . . . . . . . 50012 1 84 2 120.241 . 21.8925074716 . . . . . . . . . . . 50012 1 85 1 7.043 . 31.0570770112 . . . . . . . . . . . 50012 1 85 2 120.213 . 22.5456692444 . . . . . . . . . . . 50012 1 86 1 9.907 . 34.0002474287 . . . . . . . . . . . 50012 1 86 2 120.182 . 22.9419477870 . . . . . . . . . . . 50012 1 87 1 8.100 . 33.0641488278 . . . . . . . . . . . 50012 1 87 2 120.157 . 49.7441645443 . . . . . . . . . . . 50012 1 88 1 8.222 . 36.3466072280 . . . . . . . . . . . 50012 1 88 2 120.106 . 22.2366819411 . . . . . . . . . . . 50012 1 89 1 8.824 . 35.7660350549 . . . . . . . . . . . 50012 1 89 2 120.024 . 23.1086639038 . . . . . . . . . . . 50012 1 90 1 7.790 . 31.0058781490 . . . . . . . . . . . 50012 1 90 2 119.985 . 22.4862909014 . . . . . . . . . . . 50012 1 91 1 8.423 . 29.6181597332 . . . . . . . . . . . 50012 1 91 2 119.976 . 41.1756666486 . . . . . . . . . . . 50012 1 92 1 8.694 . 33.7931594934 . . . . . . . . . . . 50012 1 92 2 119.909 . 24.5060849928 . . . . . . . . . . . 50012 1 93 1 8.777 . 31.5484332564 . . . . . . . . . . . 50012 1 93 2 119.744 . 21.8553748611 . . . . . . . . . . . 50012 1 94 1 7.566 . 29.4041943387 . . . . . . . . . . . 50012 1 94 2 119.736 . 21.5708324881 . . . . . . . . . . . 50012 1 95 1 8.049 . 31.8235316208 . . . . . . . . . . . 50012 1 95 2 119.699 . 22.1566649718 . . . . . . . . . . . 50012 1 96 1 8.834 . 80.8057505965 . . . . . . . . . . . 50012 1 96 2 119.637 . 23.4338914377 . . . . . . . . . . . 50012 1 97 1 8.633 . 28.9854334952 . . . . . . . . . . . 50012 1 97 2 119.582 . 22.8068662859 . . . . . . . . . . . 50012 1 98 1 7.772 . 46.4622033339 . . . . . . . . . . . 50012 1 98 2 119.589 . 22.9978581641 . . . . . . . . . . . 50012 1 99 1 8.302 . 30.4361952861 . . . . . . . . . . . 50012 1 99 2 119.532 . 39.1989260851 . . . . . . . . . . . 50012 1 100 1 8.044 . 29.3132590461 . . . . . . . . . . . 50012 1 100 2 119.277 . 21.9991685691 . . . . . . . . . . . 50012 1 101 1 7.925 . 29.5371585482 . . . . . . . . . . . 50012 1 101 2 119.235 . 22.2172274982 . . . . . . . . . . . 50012 1 102 1 7.682 . 29.5933244642 . . . . . . . . . . . 50012 1 102 2 119.170 . 21.5103545462 . . . . . . . . . . . 50012 1 103 1 7.379 . 29.7132979176 . . . . . . . . . . . 50012 1 103 2 119.050 . 22.4139711247 . . . . . . . . . . . 50012 1 104 1 8.262 . 31.0513457953 . . . . . . . . . . . 50012 1 104 2 118.838 . 22.4726727914 . . . . . . . . . . . 50012 1 105 1 8.076 . 31.9973785038 . . . . . . . . . . . 50012 1 105 2 118.688 . 26.0418017952 . . . . . . . . . . . 50012 1 106 1 9.055 . 30.3735339920 . . . . . . . . . . . 50012 1 106 2 118.624 . 21.9645734947 . . . . . . . . . . . 50012 1 107 1 8.188 . 33.6579027976 . . . . . . . . . . . 50012 1 107 2 118.444 . 22.8678517351 . . . . . . . . . . . 50012 1 108 1 8.840 . 34.5191135104 . . . . . . . . . . . 50012 1 108 2 118.409 . 21.8680625412 . . . . . . . . . . . 50012 1 109 1 7.409 . 30.0330997661 . . . . . . . . . . . 50012 1 109 2 118.348 . 22.1560728800 . . . . . . . . . . . 50012 1 110 1 8.896 . 33.7935415744 . . . . . . . . . . . 50012 1 110 2 118.214 . 28.2527569338 . . . . . . . . . . . 50012 1 111 1 8.089 . 30.2948252933 . . . . . . . . . . . 50012 1 111 2 118.105 . 23.1772619610 . . . . . . . . . . . 50012 1 112 1 7.694 . 30.1737055968 . . . . . . . . . . . 50012 1 112 2 118.112 . 22.2859101400 . . . . . . . . . . . 50012 1 113 1 8.573 . 29.5039174958 . . . . . . . . . . . 50012 1 113 2 117.855 . 21.3960808405 . . . . . . . . . . . 50012 1 114 1 8.216 . 36.3657112811 . . . . . . . . . . . 50012 1 114 2 117.852 . 23.2010302151 . . . . . . . . . . . 50012 1 115 1 8.998 . 29.4164209327 . . . . . . . . . . . 50012 1 115 2 117.813 . 22.5262993861 . . . . . . . . . . . 50012 1 116 1 7.253 . 30.6585664640 . . . . . . . . . . . 50012 1 116 2 117.750 . 23.2235297012 . . . . . . . . . . . 50012 1 117 1 7.329 . 29.7144441608 . . . . . . . . . . . 50012 1 117 2 117.690 . 22.3791222966 . . . . . . . . . . . 50012 1 118 1 8.297 . 30.9508584761 . . . . . . . . . . . 50012 1 118 2 117.646 . 22.3551002889 . . . . . . . . . . . 50012 1 119 1 8.164 . 28.9132201746 . . . . . . . . . . . 50012 1 119 2 117.625 . 21.9514628919 . . . . . . . . . . . 50012 1 120 1 7.219 . 30.4801346082 . . . . . . . . . . . 50012 1 120 2 117.474 . 22.3863965666 . . . . . . . . . . . 50012 1 121 1 6.580 . 33.6170201240 . . . . . . . . . . . 50012 1 121 2 117.423 . 22.6030175586 . . . . . . . . . . . 50012 1 122 1 8.735 . 30.0747466019 . . . . . . . . . . . 50012 1 122 2 117.099 . 21.7887222481 . . . . . . . . . . . 50012 1 123 1 6.743 . 30.0243119017 . . . . . . . . . . . 50012 1 123 2 116.989 . 21.6034821183 . . . . . . . . . . . 50012 1 124 1 8.655 . 33.0244123974 . . . . . . . . . . . 50012 1 124 2 116.860 . 21.9721015182 . . . . . . . . . . . 50012 1 125 1 7.668 . 32.1979710612 . . . . . . . . . . . 50012 1 125 2 116.693 . 22.4425606973 . . . . . . . . . . . 50012 1 126 1 6.486 . 41.2303673574 . . . . . . . . . . . 50012 1 126 2 116.598 . 23.1731173189 . . . . . . . . . . . 50012 1 127 1 8.303 . 31.3337036998 . . . . . . . . . . . 50012 1 127 2 116.553 . 21.4358355716 . . . . . . . . . . . 50012 1 128 1 7.741 . 31.9721611538 . . . . . . . . . . . 50012 1 128 2 116.487 . 23.2525421965 . . . . . . . . . . . 50012 1 129 1 8.331 . 29.2704659672 . . . . . . . . . . . 50012 1 129 2 116.273 . 21.1753997909 . . . . . . . . . . . 50012 1 130 1 8.426 . 30.8255358879 . . . . . . . . . . . 50012 1 130 2 115.994 . 22.0412916672 . . . . . . . . . . . 50012 1 131 1 7.748 . 31.3600672931 . . . . . . . . . . . 50012 1 131 2 115.980 . 35.8910787073 . . . . . . . . . . . 50012 1 132 1 7.808 . 30.4808987703 . . . . . . . . . . . 50012 1 132 2 115.791 . 21.9997606609 . . . . . . . . . . . 50012 1 133 1 7.738 . 31.0666290378 . . . . . . . . . . . 50012 1 133 2 115.727 . 47.0573368165 . . . . . . . . . . . 50012 1 134 1 9.452 . 53.7215524638 . . . . . . . . . . . 50012 1 134 2 115.707 . 23.1424977175 . . . . . . . . . . . 50012 1 135 1 8.508 . 33.0267048838 . . . . . . . . . . . 50012 1 135 2 115.661 . 22.2800738071 . . . . . . . . . . . 50012 1 136 1 8.120 . 33.7366114962 . . . . . . . . . . . 50012 1 136 2 115.640 . 23.5136546534 . . . . . . . . . . . 50012 1 137 1 7.979 . 28.8536155290 . . . . . . . . . . . 50012 1 137 2 115.056 . 22.3830977697 . . . . . . . . . . . 50012 1 138 1 8.417 . 36.0944337274 . . . . . . . . . . . 50012 1 138 2 115.014 . 25.4690799143 . . . . . . . . . . . 50012 1 139 1 7.592 . 32.6790111177 . . . . . . . . . . . 50012 1 139 2 115.014 . 21.2696269619 . . . . . . . . . . . 50012 1 140 1 7.748 . 28.5647622464 . . . . . . . . . . . 50012 1 140 2 114.892 . 21.3070133260 . . . . . . . . . . . 50012 1 141 1 8.533 . 29.7686996715 . . . . . . . . . . . 50012 1 141 2 114.776 . 21.8618878702 . . . . . . . . . . . 50012 1 142 1 7.537 . 28.4868177098 . . . . . . . . . . . 50012 1 142 2 114.763 . 20.8533018848 . . . . . . . . . . . 50012 1 143 1 6.599 . 30.1354974906 . . . . . . . . . . . 50012 1 143 2 114.655 . 21.5260872695 . . . . . . . . . . . 50012 1 144 1 7.261 . 32.4554936967 . . . . . . . . . . . 50012 1 144 2 114.566 . 22.2771979330 . . . . . . . . . . . 50012 1 145 1 8.048 . 31.0295671748 . . . . . . . . . . . 50012 1 145 2 114.258 . 26.6556317596 . . . . . . . . . . . 50012 1 146 1 8.851 . 37.9225005666 . . . . . . . . . . . 50012 1 146 2 114.077 . 25.7967603997 . . . . . . . . . . . 50012 1 147 1 8.628 . 32.6847423337 . . . . . . . . . . . 50012 1 147 2 114.005 . 24.3701576464 . . . . . . . . . . . 50012 1 148 1 7.158 . 30.7154965422 . . . . . . . . . . . 50012 1 148 2 113.686 . 21.5682103676 . . . . . . . . . . . 50012 1 149 1 7.402 . 31.7058506538 . . . . . . . . . . . 50012 1 149 2 113.641 . 21.0491996659 . . . . . . . . . . . 50012 1 150 1 8.572 . 32.7993666521 . . . . . . . . . . . 50012 1 150 2 113.469 . 22.0926344794 . . . . . . . . . . . 50012 1 151 1 8.398 . 32.1769566028 . . . . . . . . . . . 50012 1 151 2 113.012 . 22.5859314827 . . . . . . . . . . . 50012 1 152 1 8.267 . 29.0022450619 . . . . . . . . . . . 50012 1 152 2 112.835 . 21.2297030618 . . . . . . . . . . . 50012 1 153 1 8.912 . 32.0734126351 . . . . . . . . . . . 50012 1 153 2 112.749 . 23.7799267670 . . . . . . . . . . . 50012 1 154 1 7.787 . 29.8519933429 . . . . . . . . . . . 50012 1 154 2 112.335 . 21.3927820437 . . . . . . . . . . . 50012 1 155 1 6.056 . 30.2164986757 . . . . . . . . . . . 50012 1 155 2 112.283 . 21.9410589942 . . . . . . . . . . . 50012 1 156 1 7.716 . 32.7817909233 . . . . . . . . . . . 50012 1 156 2 112.203 . 22.5121737689 . . . . . . . . . . . 50012 1 157 1 7.429 . 27.8418648778 . . . . . . . . . . . 50012 1 157 2 112.091 . 25.2185405241 . . . . . . . . . . . 50012 1 158 1 6.831 . 31.4819511517 . . . . . . . . . . . 50012 1 158 2 112.056 . 27.0963171827 . . . . . . . . . . . 50012 1 159 1 7.542 . 28.3645517701 . . . . . . . . . . . 50012 1 159 2 112.026 . 21.1689713663 . . . . . . . . . . . 50012 1 160 1 7.408 . 29.1524029191 . . . . . . . . . . . 50012 1 160 2 111.755 . 26.9662261691 . . . . . . . . . . . 50012 1 161 1 8.698 . 30.7930589977 . . . . . . . . . . . 50012 1 161 2 111.678 . 23.6066976410 . . . . . . . . . . . 50012 1 162 1 9.390 . 33.0056904254 . . . . . . . . . . . 50012 1 162 2 111.397 . 22.1366184372 . . . . . . . . . . . 50012 1 163 1 7.783 . 29.7285811600 . . . . . . . . . . . 50012 1 163 2 110.995 . 22.8342716750 . . . . . . . . . . . 50012 1 164 1 7.699 . 31.2752452974 . . . . . . . . . . . 50012 1 164 2 110.444 . 21.6079650986 . . . . . . . . . . . 50012 1 165 1 6.848 . 31.0899359825 . . . . . . . . . . . 50012 1 165 2 110.420 . 21.2396840369 . . . . . . . . . . . 50012 1 166 1 8.990 . 31.1619582626 . . . . . . . . . . . 50012 1 166 2 110.263 . 21.5868189651 . . . . . . . . . . . 50012 1 167 1 7.659 . 28.3282540693 . . . . . . . . . . . 50012 1 167 2 110.061 . 22.3034191386 . . . . . . . . . . . 50012 1 168 1 7.894 . 29.3300706128 . . . . . . . . . . . 50012 1 168 2 109.998 . 21.8513993880 . . . . . . . . . . . 50012 1 169 1 8.624 . 31.5843488762 . . . . . . . . . . . 50012 1 169 2 109.352 . 23.1015588030 . . . . . . . . . . . 50012 1 170 1 8.262 . 27.1113258881 . . . . . . . . . . . 50012 1 170 2 108.805 . 20.6271228404 . . . . . . . . . . . 50012 1 171 1 6.787 . 41.8692068924 . . . . . . . . . . . 50012 1 171 2 108.767 . 20.6518215244 . . . . . . . . . . . 50012 1 172 1 7.388 . 32.1154415519 . . . . . . . . . . . 50012 1 172 2 108.719 . 23.8866724491 . . . . . . . . . . . 50012 1 173 1 7.491 . 31.9083536165 . . . . . . . . . . . 50012 1 173 2 108.490 . 22.2712770156 . . . . . . . . . . . 50012 1 174 1 8.116 . 30.4476577180 . . . . . . . . . . . 50012 1 174 2 108.425 . 21.5331923704 . . . . . . . . . . . 50012 1 175 1 8.427 . 30.0575529541 . . . . . . . . . . . 50012 1 175 2 108.006 . 22.1484602720 . . . . . . . . . . . 50012 1 176 1 7.503 . 31.9144669135 . . . . . . . . . . . 50012 1 176 2 107.096 . 21.9439348683 . . . . . . . . . . . 50012 1 177 1 7.191 . 29.6842597569 . . . . . . . . . . . 50012 1 177 2 106.511 . 21.0451396083 . . . . . . . . . . . 50012 1 178 1 8.193 . 30.8171301045 . . . . . . . . . . . 50012 1 178 2 106.233 . 21.9371681056 . . . . . . . . . . . 50012 1 179 1 8.720 . 33.0047352227 . . . . . . . . . . . 50012 1 179 2 106.110 . 22.6475090235 . . . . . . . . . . . 50012 1 180 1 7.694 . 29.8947864218 . . . . . . . . . . . 50012 1 180 2 106.033 . 21.1672796756 . . . . . . . . . . . 50012 1 181 1 6.869 . 32.1888011157 . . . . . . . . . . . 50012 1 181 2 103.912 . 22.4382468860 . . . . . . . . . . . 50012 1 182 1 6.879 . 28.4673315757 . . . . . . . . . . . 50012 1 182 2 102.978 . 22.4160857381 . . . . . . . . . . . 50012 1 183 1 7.486 . 29.8707153150 . . . . . . . . . . . 50012 1 183 2 102.415 . 21.7290901515 . . . . . . . . . . . 50012 1 184 1 7.316 . 30.4147987467 . . . . . . . . . . . 50012 1 184 2 99.749 . 21.7092973706 . . . . . . . . . . . 50012 1 185 1 8.064 . 34.2971244136 . . . . . . . . . . . 50012 1 185 2 114.429 . 33.1659341855 . . . . . . . . . . . 50012 1 186 1 8.242 . 34.3338041955 . . . . . . . . . . . 50012 1 186 2 119.934 . 27.2819802352 . . . . . . . . . . . 50012 1 187 1 8.432 . 32.4153751852 . . . . . . . . . . . 50012 1 187 2 119.722 . 45.1475026195 . . . . . . . . . . . 50012 1 188 1 8.119 . 35.0498241050 . . . . . . . . . . . 50012 1 188 2 123.409 . 43.0860083528 . . . . . . . . . . . 50012 1 189 1 9.136 . 36.1895719117 . . . . . . . . . . . 50012 1 189 2 128.259 . 23.9799691903 . . . . . . . . . . . 50012 1 190 1 9.121 . 37.4821521431 . . . . . . . . . . . 50012 1 190 2 128.212 . 22.9109898475 . . . . . . . . . . . 50012 1 191 1 8.132 . 47.4116747720 . . . . . . . . . . . 50012 1 191 2 120.343 . 28.9449121769 . . . . . . . . . . . 50012 1 192 1 8.094 . 59.7739075201 . . . . . . . . . . . 50012 1 192 2 120.394 . 46.0789475098 . . . . . . . . . . . 50012 1 193 1 7.628 . 35.0773339414 . . . . . . . . . . . 50012 1 193 2 119.439 . 22.5626707358 . . . . . . . . . . . 50012 1 194 1 7.642 . 36.4925621936 . . . . . . . . . . . 50012 1 194 2 119.357 . 28.0325833914 . . . . . . . . . . . 50012 1 195 1 8.427 . 37.2777387752 . . . . . . . . . . . 50012 1 195 2 114.900 . 29.3904189184 . . . . . . . . . . . 50012 1 196 1 8.412 . 37.3480416905 . . . . . . . . . . . 50012 1 196 2 115.002 . 25.7625882479 . . . . . . . . . . . 50012 1 197 1 7.839 . 32.0474311229 . . . . . . . . . . . 50012 1 197 2 120.945 . 44.4711646843 . . . . . . . . . . . 50012 1 198 1 8.085 . 33.8623161655 . . . . . . . . . . . 50012 1 198 2 118.518 . 35.2687902895 . . . . . . . . . . . 50012 1 199 1 8.515 . 34.2096278505 . . . . . . . . . . . 50012 1 199 2 118.275 . 25.7689320880 . . . . . . . . . . . 50012 1 200 1 8.509 . 33.3247281118 . . . . . . . . . . . 50012 1 200 2 118.364 . 23.2630306787 . . . . . . . . . . . 50012 1 201 1 8.310 . 41.3037269213 . . . . . . . . . . . 50012 1 201 2 116.117 . 54.6884689046 . . . . . . . . . . . 50012 1 202 1 7.802 . 29.8623095316 . . . . . . . . . . . 50012 1 202 2 121.849 . 25.7305307094 . . . . . . . . . . . 50012 1 203 1 8.065 . 34.2677041719 . . . . . . . . . . . 50012 1 203 2 118.825 . 33.9738856559 . . . . . . . . . . . 50012 1 204 1 10.249 . 32.4866333032 . . . . . . . . . . . 50012 1 204 2 127.428 . 60.5837148903 . . . . . . . . . . . 50012 1 205 1 8.915 . 36.3555861330 . . . . . . . . . . . 50012 1 205 2 118.067 . 31.4424397173 . . . . . . . . . . . 50012 1 206 1 6.441 . 65.3446493983 . . . . . . . . . . . 50012 1 206 2 116.510 . 20.7095927612 . . . . . . . . . . . 50012 1 207 1 6.827 . 31.9557316681 . . . . . . . . . . . 50012 1 207 2 112.184 . 32.4574541273 . . . . . . . . . . . 50012 1 208 1 8.007 . 58.9638956696 . . . . . . . . . . . 50012 1 208 2 121.683 . 22.4206533029 . . . . . . . . . . . 50012 1 209 1 8.305 . 30.9634671511 . . . . . . . . . . . 50012 1 209 2 119.318 . 43.1944457256 . . . . . . . . . . . 50012 1 210 1 7.741 . 52.2022071224 . . . . . . . . . . . 50012 1 210 2 119.593 . 22.7544238747 . . . . . . . . . . . 50012 1 211 1 9.489 . 66.8424071598 . . . . . . . . . . . 50012 1 211 2 115.785 . 23.5755705324 . . . . . . . . . . . 50012 1 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 6.148 . . . . 1 1 139 HIS H . . . . . . . . . . 187 . 50012 1 1 2 1 . . 131.668 . . . . 1 1 139 HIS N . . . . . . . . . . 188 . 50012 1 2 1 1 . . 9.091 . . . . 1 1 131 GLU H . . . . . . . . . . 151 . 50012 1 2 2 1 . . 131.154 . . . . 1 1 131 GLU N . . . . . . . . . . 152 . 50012 1 3 1 1 . . 9.824 . . . . 1 1 147 TRP H . . . . . . . . . . 387 . 50012 1 3 2 1 . . 131.037 . . . . 1 1 147 TRP N . . . . . . . . . . 388 . 50012 1 4 1 1 . . 10.462 . . . . 1 1 176 TRP HE1 . . . . . . . . . . 39 . 50012 1 4 2 1 . . 130.754 . . . . 1 1 176 TRP NE1 . . . . . . . . . . 40 . 50012 1 5 1 1 . . 10.138 . . . . 1 1 88 TRP HE1 . . . . . . . . . . 53 . 50012 1 5 2 1 . . 130.494 . . . . 1 1 88 TRP NE1 . . . . . . . . . . 54 . 50012 1 6 1 1 . . 10.010 . . . . 1 1 124 TRP HE1 . . . . . . . . . . 127 . 50012 1 6 2 1 . . 130.484 . . . . 1 1 124 TRP NE1 . . . . . . . . . . 128 . 50012 1 7 1 1 . . 8.921 . . . . 1 1 12 LEU H . . . . . . . . . . 167 . 50012 1 7 2 1 . . 130.162 . . . . 1 1 12 LEU N . . . . . . . . . . 168 . 50012 1 8 1 1 . . 9.717 . . . . 1 1 34 HIS H . . . . . . . . . . 193 . 50012 1 8 2 1 . . 130.119 . . . . 1 1 34 HIS N . . . . . . . . . . 194 . 50012 1 9 1 1 . . 10.059 . . . . 1 1 28 TRP HE1 . . . . . . . . . . 209 . 50012 1 9 2 1 . . 129.201 . . . . 1 1 28 TRP NE1 . . . . . . . . . . 210 . 50012 1 10 1 1 . . 9.225 . . . . 1 1 132 VAL H . . . . . . . . . . 41 . 50012 1 10 2 1 . . 128.631 . . . . 1 1 132 VAL N . . . . . . . . . . 42 . 50012 1 11 1 1 . . 7.122 . . . . 1 1 125 LEU H . . . . . . . . . . 375 . 50012 1 11 2 1 . . 128.579 . . . . 1 1 125 LEU N . . . . . . . . . . 376 . 50012 1 12 1 1 . . 9.722 . . . . 1 1 62 TRP HE1 . . . . . . . . . . 392 . 50012 1 12 2 1 . . 128.486 . . . . 1 1 62 TRP NE1 . . . . . . . . . . 393 . 50012 1 13 1 1 . . 8.458 . . . . 1 1 124 TRP H . . . . . . . . . . 113 . 50012 1 13 2 1 . . 128.324 . . . . 1 1 124 TRP N . . . . . . . . . . 114 . 50012 1 14 1 1 . . 10.305 . . . . 1 1 147 TRP HE1 . . . . . . . . . . 339 . 50012 1 14 2 1 . . 128.130 . . . . 1 1 147 TRP NE1 . . . . . . . . . . 340 . 50012 1 15 1 1 . . 10.248 . . . . 1 1 155 PHE H . . . . . . . . . . 456 . 50012 1 15 2 1 . . 127.822 . . . . 1 1 155 PHE N . . . . . . . . . . 457 . 50012 1 16 1 1 . . 8.944 . . . . 1 1 26 ASN H . . . . . . . . . . 245 . 50012 1 16 2 1 . . 127.612 . . . . 1 1 26 ASN N . . . . . . . . . . 246 . 50012 1 17 1 1 . . 8.538 . . . . 1 1 25 VAL H . . . . . . . . . . 259 . 50012 1 17 2 1 . . 127.566 . . . . 1 1 25 VAL N . . . . . . . . . . 260 . 50012 1 18 1 1 . . 8.870 . . . . 1 1 33 LYS H . . . . . . . . . . 123 . 50012 1 18 2 1 . . 127.336 . . . . 1 1 33 LYS N . . . . . . . . . . 124 . 50012 1 19 1 1 . . 8.546 . . . . 1 1 71 LYS H . . . . . . . . . . 145 . 50012 1 19 2 1 . . 127.321 . . . . 1 1 71 LYS N . . . . . . . . . . 146 . 50012 1 20 1 1 . . 9.012 . . . . 1 1 11 LYS H . . . . . . . . . . 161 . 50012 1 20 2 1 . . 127.255 . . . . 1 1 11 LYS N . . . . . . . . . . 162 . 50012 1 21 1 1 . . 9.344 . . . . 1 1 53 ALA H . . . . . . . . . . 205 . 50012 1 21 2 1 . . 126.910 . . . . 1 1 53 ALA N . . . . . . . . . . 206 . 50012 1 22 1 1 . . 8.757 . . . . 1 1 154 LEU H . . . . . . . . . . 223 . 50012 1 22 2 1 . . 126.718 . . . . 1 1 154 LEU N . . . . . . . . . . 224 . 50012 1 23 1 1 . . 9.502 . . . . 1 1 17 PHE H . . . . . . . . . . 17 . 50012 1 23 2 1 . . 126.508 . . . . 1 1 17 PHE N . . . . . . . . . . 18 . 50012 1 24 1 1 . . 8.900 . . . . 1 1 38 VAL H . . . . . . . . . . 219 . 50012 1 24 2 1 . . 126.470 . . . . 1 1 38 VAL N . . . . . . . . . . 220 . 50012 1 25 1 1 . . 8.840 . . . . 1 1 24 GLU H . . . . . . . . . . 119 . 50012 1 25 2 1 . . 126.369 . . . . 1 1 24 GLU N . . . . . . . . . . 120 . 50012 1 26 1 1 . . 9.236 . . . . 1 1 47 ILE H . . . . . . . . . . 142 . 50012 1 26 2 1 . . 126.073 . . . . 1 1 47 ILE N . . . . . . . . . . 143 . 50012 1 27 1 1 . . 7.712 . . . . 1 1 148 LEU H . . . . . . . . . . 157 . 50012 1 27 2 1 . . 126.019 . . . . 1 1 148 LEU N . . . . . . . . . . 158 . 50012 1 28 1 1 . . 8.930 . . . . 1 1 39 LEU H . . . . . . . . . . 183 . 50012 1 28 2 1 . . 125.795 . . . . 1 1 39 LEU N . . . . . . . . . . 184 . 50012 1 29 1 1 . . 7.964 . . . . 1 1 228 ASN H . . . . . . . . . . 199 . 50012 1 29 2 1 . . 125.798 . . . . 1 1 228 ASN N . . . . . . . . . . 200 . 50012 1 30 1 1 . . 8.862 . . . . 1 1 10 GLU H . . . . . . . . . . 221 . 50012 1 30 2 1 . . 125.636 . . . . 1 1 10 GLU N . . . . . . . . . . 222 . 50012 1 31 1 1 . . 8.226 . . . . 1 1 19 HIS H . . . . . . . . . . 13 . 50012 1 31 2 1 . . 125.620 . . . . 1 1 19 HIS N . . . . . . . . . . 14 . 50012 1 32 1 1 . . 8.581 . . . . 1 1 120 GLU H . . . . . . . . . . 107 . 50012 1 32 2 1 . . 125.576 . . . . 1 1 120 GLU N . . . . . . . . . . 108 . 50012 1 33 1 1 . . 9.345 . . . . 1 1 40 VAL H . . . . . . . . . . 137 . 50012 1 33 2 1 . . 125.405 . . . . 1 1 40 VAL N . . . . . . . . . . 138 . 50012 1 34 1 1 . . 8.514 . . . . 1 1 213 ALA H . . . . . . . . . . 153 . 50012 1 34 2 1 . . 124.811 . . . . 1 1 213 ALA N . . . . . . . . . . 154 . 50012 1 35 1 1 . . 9.397 . . . . 1 1 193 VAL H . . . . . . . . . . 177 . 50012 1 35 2 1 . . 124.663 . . . . 1 1 193 VAL N . . . . . . . . . . 178 . 50012 1 36 1 1 . . 9.064 . . . . 1 1 64 VAL H . . . . . . . . . . 197 . 50012 1 36 2 1 . . 124.636 . . . . 1 1 64 VAL N . . . . . . . . . . 198 . 50012 1 37 1 1 . . 9.181 . . . . 1 1 41 ASN H . . . . . . . . . . 217 . 50012 1 37 2 1 . . 124.392 . . . . 1 1 41 ASN N . . . . . . . . . . 218 . 50012 1 38 1 1 . . 8.834 . . . . 1 1 70 ILE H . . . . . . . . . . 9 . 50012 1 38 2 1 . . 124.134 . . . . 1 1 70 ILE N . . . . . . . . . . 10 . 50012 1 39 1 1 . . 7.007 . . . . 1 1 207 LYS H . . . . . . . . . . 335 . 50012 1 39 2 1 . . 123.776 . . . . 1 1 207 LYS N . . . . . . . . . . 336 . 50012 1 40 1 1 . . 8.231 . . . . 1 1 195 SER H . . . . . . . . . . 357 . 50012 1 40 2 1 . . 123.649 . . . . 1 1 195 SER N . . . . . . . . . . 358 . 50012 1 41 1 1 . . 8.377 . . . . 1 1 43 ASP H . . . . . . . . . . 377 . 50012 1 41 2 1 . . 123.541 . . . . 1 1 43 ASP N . . . . . . . . . . 378 . 50012 1 42 1 1 . . 8.464 . . . . 1 1 115 LYS H . . . . . . . . . . 11 . 50012 1 42 2 1 . . 123.479 . . . . 1 1 115 LYS N . . . . . . . . . . 12 . 50012 1 43 1 1 . . 9.472 . . . . 1 1 191 LYS H . . . . . . . . . . 409 . 50012 1 43 2 1 . . 123.354 . . . . 1 1 191 LYS N . . . . . . . . . . 410 . 50012 1 44 1 1 . . 8.054 . . . . 1 1 104 GLU H . . . . . . . . . . 434 . 50012 1 44 2 1 . . 123.303 . . . . 1 1 104 GLU N . . . . . . . . . . 435 . 50012 1 45 1 1 . . 8.115 . . . . 1 1 9 ILE H . . . . . . . . . . 452 . 50012 1 45 2 1 . . 123.194 . . . . 1 1 9 ILE N . . . . . . . . . . 453 . 50012 1 46 1 1 . . 9.246 . . . . 1 1 180 ALA H . . . . . . . . . . 466 . 50012 1 46 2 1 . . 123.143 . . . . 1 1 180 ALA N . . . . . . . . . . 467 . 50012 1 47 1 1 . . 8.678 . . . . 1 1 173 LEU H . . . . . . . . . . 328 . 50012 1 47 2 1 . . 123.137 . . . . 1 1 173 LEU N . . . . . . . . . . 329 . 50012 1 48 1 1 . . 8.457 . . . . 1 1 114 ALA H . . . . . . . . . . 351 . 50012 1 48 2 1 . . 123.119 . . . . 1 1 114 ALA N . . . . . . . . . . 352 . 50012 1 49 1 1 . . 8.278 . . . . 1 1 32 THR H . . . . . . . . . . 373 . 50012 1 49 2 1 . . 123.010 . . . . 1 1 32 THR N . . . . . . . . . . 374 . 50012 1 50 1 1 . . 8.770 . . . . 1 1 106 LEU H . . . . . . . . . . 390 . 50012 1 50 2 1 . . 122.868 . . . . 1 1 106 LEU N . . . . . . . . . . 391 . 50012 1 51 1 1 . . 7.590 . . . . 1 1 94 ILE H . . . . . . . . . . 406 . 50012 1 51 2 1 . . 122.787 . . . . 1 1 94 ILE N . . . . . . . . . . 407 . 50012 1 52 1 1 . . 7.675 . . . . 1 1 210 TRP H . . . . . . . . . . 428 . 50012 1 52 2 1 . . 122.726 . . . . 1 1 210 TRP N . . . . . . . . . . 429 . 50012 1 53 1 1 . . 7.186 . . . . 1 1 171 ALA H . . . . . . . . . . 449 . 50012 1 53 2 1 . . 122.729 . . . . 1 1 171 ALA N . . . . . . . . . . 450 . 50012 1 54 1 1 . . 8.288 . . . . 1 1 46 LEU H . . . . . . . . . . 464 . 50012 1 54 2 1 . . 122.659 . . . . 1 1 46 LEU N . . . . . . . . . . 465 . 50012 1 55 1 1 . . 7.546 . . . . 1 1 57 GLU H . . . . . . . . . . 97 . 50012 1 55 2 1 . . 122.534 . . . . 1 1 57 GLU N . . . . . . . . . . 98 . 50012 1 56 1 1 . . 8.986 . . . . 1 1 44 ALA H . . . . . . . . . . 345 . 50012 1 56 2 1 . . 122.463 . . . . 1 1 44 ALA N . . . . . . . . . . 346 . 50012 1 57 1 1 . . 7.901 . . . . 1 1 182 ILE H . . . . . . . . . . 371 . 50012 1 57 2 1 . . 122.391 . . . . 1 1 182 ILE N . . . . . . . . . . 372 . 50012 1 58 1 1 . . 9.005 . . . . 1 1 88 TRP H . . . . . . . . . . 445 . 50012 1 58 2 1 . . 122.235 . . . . 1 1 88 TRP N . . . . . . . . . . 446 . 50012 1 59 1 1 . . 8.468 . . . . 1 1 98 ALA H . . . . . . . . . . 404 . 50012 1 59 2 1 . . 122.194 . . . . 1 1 98 ALA N . . . . . . . . . . 405 . 50012 1 60 1 1 . . 7.805 . . . . 1 1 190 ALA H . . . . . . . . . . 424 . 50012 1 60 2 1 . . 121.928 . . . . 1 1 190 ALA N . . . . . . . . . . 425 . 50012 1 61 1 1 . . 9.092 . . . . 1 1 74 ILE H . . . . . . . . . . 447 . 50012 1 61 2 1 . . 121.889 . . . . 1 1 74 ILE N . . . . . . . . . . 448 . 50012 1 62 1 1 . . 8.618 . . . . 1 1 89 LEU H . . . . . . . . . . 460 . 50012 1 62 2 1 . . 121.853 . . . . 1 1 89 LEU N . . . . . . . . . . 461 . 50012 1 63 1 1 . . 8.373 . . . . 1 1 30 VAL H . . . . . . . . . . 320 . 50012 1 63 2 1 . . 121.851 . . . . 1 1 30 VAL N . . . . . . . . . . 321 . 50012 1 64 1 1 . . 7.473 . . . . 1 1 186 LYS H . . . . . . . . . . 341 . 50012 1 64 2 1 . . 121.805 . . . . 1 1 186 LYS N . . . . . . . . . . 342 . 50012 1 65 1 1 . . 8.156 . . . . 1 1 205 LEU H . . . . . . . . . . 365 . 50012 1 65 2 1 . . 121.733 . . . . 1 1 205 LEU N . . . . . . . . . . 366 . 50012 1 66 1 1 . . 7.415 . . . . 1 1 75 SER H . . . . . . . . . . 385 . 50012 1 66 2 1 . . 121.730 . . . . 1 1 75 SER N . . . . . . . . . . 386 . 50012 1 67 1 1 . . 7.977 . . . . 1 1 62 TRP H . . . . . . . . . . 402 . 50012 1 67 2 1 . . 121.691 . . . . 1 1 62 TRP N . . . . . . . . . . 403 . 50012 1 68 1 1 . . 8.333 . . . . 1 1 200 LYS H . . . . . . . . . . 419 . 50012 1 68 2 1 . . 121.476 . . . . 1 1 200 LYS N . . . . . . . . . . 420 . 50012 1 69 1 1 . . 8.122 . . . . 1 1 181 LYS H . . . . . . . . . . 458 . 50012 1 69 2 1 . . 121.351 . . . . 1 1 181 LYS N . . . . . . . . . . 459 . 50012 1 70 1 1 . . 7.733 . . . . 1 1 55 ASP H . . . . . . . . . . 316 . 50012 1 70 2 1 . . 121.378 . . . . 1 1 55 ASP N . . . . . . . . . . 317 . 50012 1 71 1 1 . . 9.117 . . . . 1 1 37 VAL H . . . . . . . . . . 337 . 50012 1 71 2 1 . . 121.152 . . . . 1 1 37 VAL N . . . . . . . . . . 338 . 50012 1 72 1 1 . . 7.836 . . . . 1 1 222 LYS H . . . . . . . . . . 361 . 50012 1 72 2 1 . . 121.173 . . . . 1 1 222 LYS N . . . . . . . . . . 362 . 50012 1 73 1 1 . . 8.984 . . . . 1 1 144 LEU H . . . . . . . . . . 379 . 50012 1 73 2 1 . . 121.119 . . . . 1 1 144 LEU N . . . . . . . . . . 380 . 50012 1 74 1 1 . . 8.057 . . . . 1 1 107 LYS H . . . . . . . . . . 398 . 50012 1 74 2 1 . . 121.090 . . . . 1 1 107 LYS N . . . . . . . . . . 399 . 50012 1 75 1 1 . . 7.904 . . . . 1 1 59 LEU H . . . . . . . . . . 413 . 50012 1 75 2 1 . . 121.102 . . . . 1 1 59 LEU N . . . . . . . . . . 414 . 50012 1 76 1 1 . . 7.562 . . . . 1 1 221 LYS H . . . . . . . . . . 440 . 50012 1 76 2 1 . . 121.104 . . . . 1 1 221 LYS N . . . . . . . . . . 441 . 50012 1 77 1 1 . . 9.491 . . . . 1 1 18 VAL H . . . . . . . . . . 286 . 50012 1 77 2 1 . . 121.001 . . . . 1 1 18 VAL N . . . . . . . . . . 287 . 50012 1 78 1 1 . . 9.332 . . . . 1 1 20 THR H . . . . . . . . . . 304 . 50012 1 78 2 1 . . 120.950 . . . . 1 1 20 THR N . . . . . . . . . . 305 . 50012 1 79 1 1 . . 8.841 . . . . 1 1 87 GLU H . . . . . . . . . . 326 . 50012 1 79 2 1 . . 120.701 . . . . 1 1 87 GLU N . . . . . . . . . . 327 . 50012 1 80 1 1 . . 7.994 . . . . 1 1 218 LYS H . . . . . . . . . . 211 . 50012 1 80 2 1 . . 120.588 . . . . 1 1 218 LYS N . . . . . . . . . . 212 . 50012 1 81 1 1 . . 10.785 . . . . 1 1 76 SER H . . . . . . . . . . 322 . 50012 1 81 2 1 . . 120.550 . . . . 1 1 76 SER N . . . . . . . . . . 323 . 50012 1 82 1 1 . . 8.125 . . . . 1 1 101 LEU H . . . . . . . . . . 171 . 50012 1 82 2 1 . . 120.457 . . . . 1 1 101 LEU N . . . . . . . . . . 172 . 50012 1 83 1 1 . . 7.877 . . . . 1 1 112 VAL H . . . . . . . . . . 73 . 50012 1 83 2 1 . . 120.324 . . . . 1 1 112 VAL N . . . . . . . . . . 74 . 50012 1 84 1 1 . . 8.556 . . . . 1 1 65 GLU H . . . . . . . . . . 179 . 50012 1 84 2 1 . . 120.241 . . . . 1 1 65 GLU N . . . . . . . . . . 180 . 50012 1 85 1 1 . . 7.043 . . . . 1 1 92 GLN H . . . . . . . . . . 280 . 50012 1 85 2 1 . . 120.213 . . . . 1 1 92 GLN N . . . . . . . . . . 281 . 50012 1 86 1 1 . . 9.907 . . . . 1 1 141 GLN H . . . . . . . . . . 300 . 50012 1 86 2 1 . . 120.182 . . . . 1 1 141 GLN N . . . . . . . . . . 301 . 50012 1 87 1 1 . . 8.100 . . . . 1 1 23 GLU H . . . . . . . . . . 81 . 50012 1 87 2 1 . . 120.157 . . . . 1 1 23 GLU N . . . . . . . . . . 82 . 50012 1 88 1 1 . . 8.222 . . . . 1 1 28 TRP H . . . . . . . . . . 191 . 50012 1 88 2 1 . . 120.106 . . . . 1 1 28 TRP N . . . . . . . . . . 192 . 50012 1 89 1 1 . . 8.824 . . . . 1 1 21 SER H . . . . . . . . . . 298 . 50012 1 89 2 1 . . 120.024 . . . . 1 1 21 SER N . . . . . . . . . . 299 . 50012 1 90 1 1 . . 7.790 . . . . 1 1 100 GLU H . . . . . . . . . . 417 . 50012 1 90 2 1 . . 119.985 . . . . 1 1 100 GLU N . . . . . . . . . . 418 . 50012 1 91 1 1 . . 8.423 . . . . 1 1 108 LYS H . . . . . . . . . . 55 . 50012 1 91 2 1 . . 119.976 . . . . 1 1 108 LYS N . . . . . . . . . . 56 . 50012 1 92 1 1 . . 8.694 . . . . 1 1 165 LEU H . . . . . . . . . . 15 . 50012 1 92 2 1 . . 119.909 . . . . 1 1 165 LEU N . . . . . . . . . . 16 . 50012 1 93 1 1 . . 8.777 . . . . 1 1 14 GLU H . . . . . . . . . . 278 . 50012 1 93 2 1 . . 119.744 . . . . 1 1 14 GLU N . . . . . . . . . . 279 . 50012 1 94 1 1 . . 7.566 . . . . 1 1 215 LYS H . . . . . . . . . . 296 . 50012 1 94 2 1 . . 119.736 . . . . 1 1 215 LYS N . . . . . . . . . . 297 . 50012 1 95 1 1 . . 8.049 . . . . 1 1 214 LEU H . . . . . . . . . . 59 . 50012 1 95 2 1 . . 119.699 . . . . 1 1 214 LEU N . . . . . . . . . . 60 . 50012 1 96 1 1 . . 8.834 . . . . 1 1 97 TYR H . . . . . . . . . . 159 . 50012 1 96 2 1 . . 119.637 . . . . 1 1 97 TYR N . . . . . . . . . . 160 . 50012 1 97 1 1 . . 8.633 . . . . 1 1 199 GLU H . . . . . . . . . . 274 . 50012 1 97 2 1 . . 119.582 . . . . 1 1 199 GLU N . . . . . . . . . . 275 . 50012 1 98 1 1 . . 7.772 . . . . 1 1 183 LEU H . . . . . . . . . . 396 . 50012 1 98 2 1 . . 119.589 . . . . 1 1 183 LEU N . . . . . . . . . . 397 . 50012 1 99 1 1 . . 8.302 . . . . 1 1 69 GLU H . . . . . . . . . . 37 . 50012 1 99 2 1 . . 119.532 . . . . 1 1 69 GLU N . . . . . . . . . . 38 . 50012 1 100 1 1 . . 8.044 . . . . 1 1 111 LYS H . . . . . . . . . . 270 . 50012 1 100 2 1 . . 119.277 . . . . 1 1 111 LYS N . . . . . . . . . . 271 . 50012 1 101 1 1 . . 7.925 . . . . 1 1 91 SER H . . . . . . . . . . 294 . 50012 1 101 2 1 . . 119.235 . . . . 1 1 91 SER N . . . . . . . . . . 295 . 50012 1 102 1 1 . . 7.682 . . . . 1 1 6 ASP H . . . . . . . . . . 310 . 50012 1 102 2 1 . . 119.170 . . . . 1 1 6 ASP N . . . . . . . . . . 311 . 50012 1 103 1 1 . . 7.379 . . . . 1 1 192 LEU H . . . . . . . . . . 140 . 50012 1 103 2 1 . . 119.050 . . . . 1 1 192 LEU N . . . . . . . . . . 141 . 50012 1 104 1 1 . . 8.262 . . . . 1 1 225 SER H . . . . . . . . . . 251 . 50012 1 104 2 1 . . 118.838 . . . . 1 1 225 SER N . . . . . . . . . . 252 . 50012 1 105 1 1 . . 8.076 . . . . 1 1 16 VAL H . . . . . . . . . . 131 . 50012 1 105 2 1 . . 118.688 . . . . 1 1 16 VAL N . . . . . . . . . . 132 . 50012 1 106 1 1 . . 9.055 . . . . 1 1 90 ASN H . . . . . . . . . . 33 . 50012 1 106 2 1 . . 118.624 . . . . 1 1 90 ASN N . . . . . . . . . . 34 . 50012 1 107 1 1 . . 8.188 . . . . 1 1 212 GLN H . . . . . . . . . . 268 . 50012 1 107 2 1 . . 118.444 . . . . 1 1 212 GLN N . . . . . . . . . . 269 . 50012 1 108 1 1 . . 8.840 . . . . 1 1 45 TYR H . . . . . . . . . . 288 . 50012 1 108 2 1 . . 118.409 . . . . 1 1 45 TYR N . . . . . . . . . . 289 . 50012 1 109 1 1 . . 7.409 . . . . 1 1 58 LYS H . . . . . . . . . . 117 . 50012 1 109 2 1 . . 118.348 . . . . 1 1 58 LYS N . . . . . . . . . . 118 . 50012 1 110 1 1 . . 8.896 . . . . 1 1 179 SER H . . . . . . . . . . 231 . 50012 1 110 2 1 . . 118.214 . . . . 1 1 179 SER N . . . . . . . . . . 232 . 50012 1 111 1 1 . . 8.089 . . . . 1 1 81 ASP H . . . . . . . . . . 276 . 50012 1 111 2 1 . . 118.105 . . . . 1 1 81 ASP N . . . . . . . . . . 277 . 50012 1 112 1 1 . . 7.694 . . . . 1 1 196 SER H . . . . . . . . . . 462 . 50012 1 112 2 1 . . 118.112 . . . . 1 1 196 SER N . . . . . . . . . . 463 . 50012 1 113 1 1 . . 8.573 . . . . 1 1 116 TYR H . . . . . . . . . . 87 . 50012 1 113 2 1 . . 117.855 . . . . 1 1 116 TYR N . . . . . . . . . . 88 . 50012 1 114 1 1 . . 8.216 . . . . 1 1 224 SER H . . . . . . . . . . 35 . 50012 1 114 2 1 . . 117.852 . . . . 1 1 224 SER N . . . . . . . . . . 36 . 50012 1 115 1 1 . . 8.998 . . . . 1 1 204 SER H . . . . . . . . . . 49 . 50012 1 115 2 1 . . 117.813 . . . . 1 1 204 SER N . . . . . . . . . . 50 . 50012 1 116 1 1 . . 7.253 . . . . 1 1 133 PHE H . . . . . . . . . . 95 . 50012 1 116 2 1 . . 117.750 . . . . 1 1 133 PHE N . . . . . . . . . . 96 . 50012 1 117 1 1 . . 7.329 . . . . 1 1 175 ALA H . . . . . . . . . . 115 . 50012 1 117 2 1 . . 117.690 . . . . 1 1 175 ALA N . . . . . . . . . . 116 . 50012 1 118 1 1 . . 8.297 . . . . 1 1 60 VAL H . . . . . . . . . . 284 . 50012 1 118 2 1 . . 117.646 . . . . 1 1 60 VAL N . . . . . . . . . . 285 . 50012 1 119 1 1 . . 8.164 . . . . 1 1 219 GLU H . . . . . . . . . . 65 . 50012 1 119 2 1 . . 117.625 . . . . 1 1 219 GLU N . . . . . . . . . . 66 . 50012 1 120 1 1 . . 7.219 . . . . 1 1 178 LYS H . . . . . . . . . . 31 . 50012 1 120 2 1 . . 117.474 . . . . 1 1 178 LYS N . . . . . . . . . . 32 . 50012 1 121 1 1 . . 6.580 . . . . 1 1 153 ILE H . . . . . . . . . . 45 . 50012 1 121 2 1 . . 117.423 . . . . 1 1 153 ILE N . . . . . . . . . . 46 . 50012 1 122 1 1 . . 8.735 . . . . 1 1 61 ASN H . . . . . . . . . . 79 . 50012 1 122 2 1 . . 117.099 . . . . 1 1 61 ASN N . . . . . . . . . . 80 . 50012 1 123 1 1 . . 6.743 . . . . 1 1 66 ARG H . . . . . . . . . . 91 . 50012 1 123 2 1 . . 116.989 . . . . 1 1 66 ARG N . . . . . . . . . . 92 . 50012 1 124 1 1 . . 8.655 . . . . 1 1 208 ARG H . . . . . . . . . . 111 . 50012 1 124 2 1 . . 116.860 . . . . 1 1 208 ARG N . . . . . . . . . . 112 . 50012 1 125 1 1 . . 7.668 . . . . 1 1 152 LYS H . . . . . . . . . . 438 . 50012 1 125 2 1 . . 116.693 . . . . 1 1 152 LYS N . . . . . . . . . . 439 . 50012 1 126 1 1 . . 6.486 . . . . 1 1 143 ASN H . . . . . . . . . . 233 . 50012 1 126 2 1 . . 116.598 . . . . 1 1 143 ASN N . . . . . . . . . . 234 . 50012 1 127 1 1 . . 8.303 . . . . 1 1 130 ILE H . . . . . . . . . . 249 . 50012 1 127 2 1 . . 116.553 . . . . 1 1 130 ILE N . . . . . . . . . . 250 . 50012 1 128 1 1 . . 7.741 . . . . 1 1 170 ASP H . . . . . . . . . . 255 . 50012 1 128 2 1 . . 116.487 . . . . 1 1 170 ASP N . . . . . . . . . . 256 . 50012 1 129 1 1 . . 8.331 . . . . 1 1 227 SER H . . . . . . . . . . 383 . 50012 1 129 2 1 . . 116.273 . . . . 1 1 227 SER N . . . . . . . . . . 384 . 50012 1 130 1 1 . . 8.426 . . . . 1 1 203 ALA H . . . . . . . . . . 21 . 50012 1 130 2 1 . . 115.994 . . . . 1 1 203 ALA N . . . . . . . . . . 22 . 50012 1 131 1 1 . . 7.748 . . . . 1 1 129 LYS H . . . . . . . . . . 5 . 50012 1 131 2 1 . . 115.980 . . . . 1 1 129 LYS N . . . . . . . . . . 6 . 50012 1 132 1 1 . . 7.808 . . . . 1 1 184 MET H . . . . . . . . . . 29 . 50012 1 132 2 1 . . 115.791 . . . . 1 1 184 MET N . . . . . . . . . . 30 . 50012 1 133 1 1 . . 7.738 . . . . 1 1 189 LYS H . . . . . . . . . . 99 . 50012 1 133 2 1 . . 115.727 . . . . 1 1 189 LYS N . . . . . . . . . . 100 . 50012 1 134 1 1 . . 9.452 . . . . 1 1 99 SER H . . . . . . . . . . 229 . 50012 1 134 2 1 . . 115.707 . . . . 1 1 99 SER N . . . . . . . . . . 230 . 50012 1 135 1 1 . . 8.508 . . . . 1 1 22 PHE H . . . . . . . . . . 247 . 50012 1 135 2 1 . . 115.661 . . . . 1 1 22 PHE N . . . . . . . . . . 248 . 50012 1 136 1 1 . . 8.120 . . . . 1 1 163 HIS H . . . . . . . . . . 264 . 50012 1 136 2 1 . . 115.640 . . . . 1 1 163 HIS N . . . . . . . . . . 265 . 50012 1 137 1 1 . . 7.979 . . . . 1 1 13 GLU H . . . . . . . . . . 468 . 50012 1 137 2 1 . . 115.056 . . . . 1 1 13 GLU N . . . . . . . . . . 469 . 50012 1 138 1 1 . . 8.417 . . . . 1 1 36 LEU H . . . . . . . . . . 207 . 50012 1 138 2 1 . . 115.014 . . . . 1 1 36 LEU N . . . . . . . . . . 208 . 50012 1 139 1 1 . . 7.592 . . . . 1 1 187 TYR H . . . . . . . . . . 135 . 50012 1 139 2 1 . . 115.014 . . . . 1 1 187 TYR N . . . . . . . . . . 136 . 50012 1 140 1 1 . . 7.748 . . . . 1 1 220 SER H . . . . . . . . . . 239 . 50012 1 140 2 1 . . 114.892 . . . . 1 1 220 SER N . . . . . . . . . . 240 . 50012 1 141 1 1 . . 8.533 . . . . 1 1 150 GLU H . . . . . . . . . . 125 . 50012 1 141 2 1 . . 114.776 . . . . 1 1 150 GLU N . . . . . . . . . . 126 . 50012 1 142 1 1 . . 7.537 . . . . 1 1 198 SER H . . . . . . . . . . 109 . 50012 1 142 2 1 . . 114.763 . . . . 1 1 198 SER N . . . . . . . . . . 110 . 50012 1 143 1 1 . . 6.599 . . . . 1 1 118 PHE H . . . . . . . . . . 235 . 50012 1 143 2 1 . . 114.655 . . . . 1 1 118 PHE N . . . . . . . . . . 236 . 50012 1 144 1 1 . . 7.261 . . . . 1 1 209 THR H . . . . . . . . . . 331 . 50012 1 144 2 1 . . 114.566 . . . . 1 1 209 THR N . . . . . . . . . . 332 . 50012 1 145 1 1 . . 8.048 . . . . 1 1 223 THR H . . . . . . . . . . 314 . 50012 1 145 2 1 . . 114.258 . . . . 1 1 223 THR N . . . . . . . . . . 315 . 50012 1 146 1 1 . . 8.851 . . . . 1 1 27 GLY H . . . . . . . . . . 422 . 50012 1 146 2 1 . . 114.077 . . . . 1 1 27 GLY N . . . . . . . . . . 423 . 50012 1 147 1 1 . . 8.628 . . . . 1 1 119 SER H . . . . . . . . . . 169 . 50012 1 147 2 1 . . 114.005 . . . . 1 1 119 SER N . . . . . . . . . . 170 . 50012 1 148 1 1 . . 7.158 . . . . 1 1 96 THR H . . . . . . . . . . 1108 . 50012 1 148 2 1 . . 113.686 . . . . 1 1 96 THR N . . . . . . . . . . 1109 . 50012 1 149 1 1 . . 7.402 . . . . 1 1 63 PHE H . . . . . . . . . . 367 . 50012 1 149 2 1 . . 113.641 . . . . 1 1 63 PHE N . . . . . . . . . . 368 . 50012 1 150 1 1 . . 8.572 . . . . 1 1 156 GLY H . . . . . . . . . . 121 . 50012 1 150 2 1 . . 113.469 . . . . 1 1 156 GLY N . . . . . . . . . . 122 . 50012 1 151 1 1 . . 8.398 . . . . 1 1 84 GLY H . . . . . . . . . . 89 . 50012 1 151 2 1 . . 113.012 . . . . 1 1 84 GLY N . . . . . . . . . . 90 . 50012 1 152 1 1 . . 8.267 . . . . 1 1 117 SER H . . . . . . . . . . 75 . 50012 1 152 2 1 . . 112.835 . . . . 1 1 117 SER N . . . . . . . . . . 76 . 50012 1 153 1 1 . . 8.912 . . . . 1 1 35 GLY H . . . . . . . . . . 67 . 50012 1 153 2 1 . . 112.749 . . . . 1 1 35 GLY N . . . . . . . . . . 68 . 50012 1 154 1 1 . . 7.787 . . . . 1 1 42 THR H . . . . . . . . . . 349 . 50012 1 154 2 1 . . 112.335 . . . . 1 1 42 THR N . . . . . . . . . . 350 . 50012 1 155 1 1 . . 6.056 . . . . 1 1 134 TYR H . . . . . . . . . . 25 . 50012 1 155 2 1 . . 112.283 . . . . 1 1 134 TYR N . . . . . . . . . . 26 . 50012 1 156 1 1 . . 7.716 . . . . 1 1 197 HIS H . . . . . . . . . . 175 . 50012 1 156 2 1 . . 112.203 . . . . 1 1 197 HIS N . . . . . . . . . . 176 . 50012 1 157 1 1 . . 7.429 . . . . 1 1 122 SER H . . . . . . . . . . 394 . 50012 1 157 2 1 . . 112.091 . . . . 1 1 122 SER N . . . . . . . . . . 395 . 50012 1 158 1 1 . . 6.831 . . . . 1 1 126 VAL H . . . . . . . . . . 369 . 50012 1 158 2 1 . . 112.056 . . . . 1 1 126 VAL N . . . . . . . . . . 370 . 50012 1 159 1 1 . . 7.542 . . . . 1 1 185 SER H . . . . . . . . . . 103 . 50012 1 159 2 1 . . 112.026 . . . . 1 1 185 SER N . . . . . . . . . . 104 . 50012 1 160 1 1 . . 7.408 . . . . 1 1 109 SER H . . . . . . . . . . 454 . 50012 1 160 2 1 . . 111.755 . . . . 1 1 109 SER N . . . . . . . . . . 455 . 50012 1 161 1 1 . . 8.698 . . . . 1 1 15 GLY H . . . . . . . . . . 69 . 50012 1 161 2 1 . . 111.678 . . . . 1 1 15 GLY N . . . . . . . . . . 70 . 50012 1 162 1 1 . . 9.390 . . . . 1 1 142 ASP H . . . . . . . . . . 312 . 50012 1 162 2 1 . . 111.397 . . . . 1 1 142 ASP N . . . . . . . . . . 313 . 50012 1 163 1 1 . . 7.783 . . . . 1 1 54 THR H . . . . . . . . . . 272 . 50012 1 163 2 1 . . 110.995 . . . . 1 1 54 THR N . . . . . . . . . . 273 . 50012 1 164 1 1 . . 7.699 . . . . 1 1 93 SER H . . . . . . . . . . 105 . 50012 1 164 2 1 . . 110.444 . . . . 1 1 93 SER N . . . . . . . . . . 106 . 50012 1 165 1 1 . . 6.848 . . . . 1 1 151 SER H . . . . . . . . . . 227 . 50012 1 165 2 1 . . 110.420 . . . . 1 1 151 SER N . . . . . . . . . . 228 . 50012 1 166 1 1 . . 8.990 . . . . 1 1 145 VAL H . . . . . . . . . . 282 . 50012 1 166 2 1 . . 110.263 . . . . 1 1 145 VAL N . . . . . . . . . . 283 . 50012 1 167 1 1 . . 7.659 . . . . 1 1 77 HIS H . . . . . . . . . . 253 . 50012 1 167 2 1 . . 110.061 . . . . 1 1 77 HIS N . . . . . . . . . . 254 . 50012 1 168 1 1 . . 7.894 . . . . 1 1 110 GLY H . . . . . . . . . . 266 . 50012 1 168 2 1 . . 109.998 . . . . 1 1 110 GLY N . . . . . . . . . . 267 . 50012 1 169 1 1 . . 8.624 . . . . 1 1 169 GLY H . . . . . . . . . . 19 . 50012 1 169 2 1 . . 109.352 . . . . 1 1 169 GLY N . . . . . . . . . . 20 . 50012 1 170 1 1 . . 8.262 . . . . 1 1 29 GLY H . . . . . . . . . . 411 . 50012 1 170 2 1 . . 108.805 . . . . 1 1 29 GLY N . . . . . . . . . . 412 . 50012 1 171 1 1 . . 6.787 . . . . 1 1 164 GLY H . . . . . . . . . . 292 . 50012 1 171 2 1 . . 108.767 . . . . 1 1 164 GLY N . . . . . . . . . . 293 . 50012 1 172 1 1 . . 7.388 . . . . 1 1 83 THR H . . . . . . . . . . 93 . 50012 1 172 2 1 . . 108.719 . . . . 1 1 83 THR N . . . . . . . . . . 94 . 50012 1 173 1 1 . . 7.491 . . . . 1 1 82 SER H . . . . . . . . . . 400 . 50012 1 173 2 1 . . 108.490 . . . . 1 1 82 SER N . . . . . . . . . . 401 . 50012 1 174 1 1 . . 8.116 . . . . 1 1 201 GLY H . . . . . . . . . . 7 . 50012 1 174 2 1 . . 108.425 . . . . 1 1 201 GLY N . . . . . . . . . . 8 . 50012 1 175 1 1 . . 8.427 . . . . 1 1 166 GLY H . . . . . . . . . . 101 . 50012 1 175 2 1 . . 108.006 . . . . 1 1 166 GLY N . . . . . . . . . . 102 . 50012 1 176 1 1 . . 7.503 . . . . 1 1 138 GLY H . . . . . . . . . . 203 . 50012 1 176 2 1 . . 107.096 . . . . 1 1 138 GLY N . . . . . . . . . . 204 . 50012 1 177 1 1 . . 7.191 . . . . 1 1 188 GLY H . . . . . . . . . . 333 . 50012 1 177 2 1 . . 106.511 . . . . 1 1 188 GLY N . . . . . . . . . . 334 . 50012 1 178 1 1 . . 8.193 . . . . 1 1 216 GLY H . . . . . . . . . . 324 . 50012 1 178 2 1 . . 106.233 . . . . 1 1 216 GLY N . . . . . . . . . . 325 . 50012 1 179 1 1 . . 8.720 . . . . 1 1 85 GLY H . . . . . . . . . . 155 . 50012 1 179 2 1 . . 106.110 . . . . 1 1 85 GLY N . . . . . . . . . . 156 . 50012 1 180 1 1 . . 7.694 . . . . 1 1 67 GLY H . . . . . . . . . . 243 . 50012 1 180 2 1 . . 106.033 . . . . 1 1 67 GLY N . . . . . . . . . . 244 . 50012 1 181 1 1 . . 6.869 . . . . 1 1 49 THR H . . . . . . . . . . 165 . 50012 1 181 2 1 . . 103.912 . . . . 1 1 49 THR N . . . . . . . . . . 166 . 50012 1 182 1 1 . . 6.879 . . . . 1 1 72 GLY H . . . . . . . . . . 181 . 50012 1 182 2 1 . . 102.978 . . . . 1 1 72 GLY N . . . . . . . . . . 182 . 50012 1 183 1 1 . . 7.486 . . . . 1 1 140 THR H . . . . . . . . . . 257 . 50012 1 183 2 1 . . 102.415 . . . . 1 1 140 THR N . . . . . . . . . . 258 . 50012 1 184 1 1 . . 7.316 . . . . 1 1 52 THR H . . . . . . . . . . 51 . 50012 1 184 2 1 . . 99.749 . . . . 1 1 52 THR N . . . . . . . . . . 52 . 50012 1 185 1 1 . . 8.064 . . . . 1 1 174 GLU H . . . . . . . . . . 565 . 50012 1 185 2 1 . . 114.429 . . . . 1 1 174 GLU N . . . . . . . . . . 566 . 50012 1 186 1 1 . . 8.242 . . . . 1 1 121 VAL H . . . . . . . . . . 711 . 50012 1 186 2 1 . . 119.934 . . . . 1 1 121 VAL N . . . . . . . . . . 712 . 50012 1 187 1 1 . . 8.432 . . . . 1 1 102 THR H . . . . . . . . . . 718 . 50012 1 187 2 1 . . 119.722 . . . . 1 1 102 THR N . . . . . . . . . . 719 . 50012 1 188 1 1 . . 8.119 . . . . 1 1 217 LEU H . . . . . . . . . . 723 . 50012 1 188 2 1 . . 123.409 . . . . 1 1 217 LEU N . . . . . . . . . . 724 . 50012 1 189 1 1 . . 9.136 . . . . 1 1 8 LYS H . . . . . . . . . . 225 . 50012 1 189 2 1 . . 128.259 . . . . 1 1 8 LYS N . . . . . . . . . . 226 . 50012 1 190 1 1 . . 9.121 . . . . 1 1 123 TYR H . . . . . . . . . . 727 . 50012 1 190 2 1 . . 128.212 . . . . 1 1 123 TYR N . . . . . . . . . . 728 . 50012 1 191 1 1 . . 8.132 . . . . 1 1 202 ASP H . . . . . . . . . . 730 . 50012 1 191 2 1 . . 120.343 . . . . 1 1 202 ASP N . . . . . . . . . . 729 . 50012 1 192 1 1 . . 8.094 . . . . 1 1 7 LEU H . . . . . . . . . . 731 . 50012 1 192 2 1 . . 120.394 . . . . 1 1 7 LEU N . . . . . . . . . . 732 . 50012 1 193 1 1 . . 7.628 . . . . 1 1 68 TYR H . . . . . . . . . . 129 . 50012 1 193 2 1 . . 119.439 . . . . 1 1 68 TYR N . . . . . . . . . . 130 . 50012 1 194 1 1 . . 7.642 . . . . 1 1 56 THR H . . . . . . . . . . 736 . 50012 1 194 2 1 . . 119.357 . . . . 1 1 56 THR N . . . . . . . . . . 737 . 50012 1 195 1 1 . . 8.427 . . . . 1 1 73 THR H . . . . . . . . . . 739 . 50012 1 195 2 1 . . 114.900 . . . . 1 1 73 THR N . . . . . . . . . . 740 . 50012 1 196 1 1 . . 8.412 . . . . 1 1 36 LEU H . . . . . . . . . . 207 . 50012 1 196 2 1 . . 115.002 . . . . 1 1 36 LEU N . . . . . . . . . . 208 . 50012 1 197 1 1 . . 7.839 . . . . 1 1 86 ILE H . . . . . . . . . . 743 . 50012 1 197 2 1 . . 120.945 . . . . 1 1 86 ILE N . . . . . . . . . . 744 . 50012 1 198 1 1 . . 8.085 . . . . 1 1 206 MET H . . . . . . . . . . 760 . 50012 1 198 2 1 . . 118.518 . . . . 1 1 206 MET N . . . . . . . . . . 761 . 50012 1 199 1 1 . . 8.515 . . . . 1 1 146 VAL H . . . . . . . . . . 770 . 50012 1 199 2 1 . . 118.275 . . . . 1 1 146 VAL N . . . . . . . . . . 771 . 50012 1 200 1 1 . . 8.509 . . . . 1 1 172 ASN H . . . . . . . . . . 308 . 50012 1 200 2 1 . . 118.364 . . . . 1 1 172 ASN N . . . . . . . . . . 309 . 50012 1 201 1 1 . . 8.310 . . . . 1 1 211 GLU H . . . . . . . . . . 781 . 50012 1 201 2 1 . . 116.117 . . . . 1 1 211 GLU N . . . . . . . . . . 782 . 50012 1 202 1 1 . . 7.802 . . . . 1 1 113 GLN H . . . . . . . . . . 788 . 50012 1 202 2 1 . . 121.849 . . . . 1 1 113 GLN N . . . . . . . . . . 789 . 50012 1 203 1 1 . . 8.065 . . . . 1 1 157 GLY H . . . . . . . . . . 800 . 50012 1 203 2 1 . . 118.825 . . . . 1 1 157 GLY N . . . . . . . . . . 801 . 50012 1 204 1 1 . . 10.249 . . . . 1 1 210 TRP HE1 . . . . . . . . . . 810 . 50012 1 204 2 1 . . 127.428 . . . . 1 1 210 TRP NE1 . . . . . . . . . . 811 . 50012 1 205 1 1 . . 8.915 . . . . 1 1 48 ASP H . . . . . . . . . . 845 . 50012 1 205 2 1 . . 118.067 . . . . 1 1 48 ASP N . . . . . . . . . . 844 . 50012 1 206 1 1 . . 6.441 . . . . 1 1 128 ASN H . . . . . . . . . . 846 . 50012 1 206 2 1 . . 116.510 . . . . 1 1 128 ASN N . . . . . . . . . . 847 . 50012 1 207 1 1 . . 6.827 . . . . 1 1 51 PHE H . . . . . . . . . . 848 . 50012 1 207 2 1 . . 112.184 . . . . 1 1 51 PHE N . . . . . . . . . . 849 . 50012 1 208 1 1 . . 8.007 . . . . 1 1 105 LEU H . . . . . . . . . . 850 . 50012 1 208 2 1 . . 121.683 . . . . 1 1 105 LEU N . . . . . . . . . . 851 . 50012 1 209 1 1 . . 8.305 . . . . 1 1 103 ASN H . . . . . . . . . . 866 . 50012 1 209 2 1 . . 119.318 . . . . 1 1 103 ASN N . . . . . . . . . . 867 . 50012 1 210 1 1 . . 7.741 . . . . 1 1 176 TRP H . . . . . . . . . . 1678 . 50012 1 210 2 1 . . 119.593 . . . . 1 1 176 TRP N . . . . . . . . . . 1679 . 50012 1 211 1 1 . . 9.489 . . . . 1 1 78 PHE H . . . . . . . . . . 1711 . 50012 1 211 2 1 . . 115.785 . . . . 1 1 78 PHE N . . . . . . . . . . 1712 . 50012 1 stop_ save_