data_53625 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53625 _Entry.Title ; Glycosylated Fragment Crystallizable (Fc) Region of IgG1 Monoclonal Antibody ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-03-12 _Entry.Accession_date 2026-03-12 _Entry.Last_release_date 2026-03-19 _Entry.Original_release_date 2026-03-19 _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 _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 Donald Gagne . . . 0000-0002-3938-6567 53625 2 Grayson Hatfield . . . . 53625 3 Lioudmila Tepliakova . . . . 53625 4 Genevieve Gingras . . . . 53625 5 Andrew Stalker . . . . 53625 6 Xuguang Li . . . . 53625 7 Yves Aubin . . . 0000-0002-8554-0297 53625 8 Roger Tam . . . . 53625 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID spectral_peak_list 8 53625 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 . . 2026-03-23 . original BMRB . 53625 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53625 _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 ; Complete and Rapid NMR Characterization of Therapeutic Monoclonal Antibodies via Differential Labelling of Fab fragments in Escherichia coli ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Anal. Chem.' _Citation.Journal_name_full . _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 Donald Gagne . . . . 53625 1 2 Yves Aubin . . . . 53625 1 stop_ save_ save_citations_2 _Citation.Sf_category citations _Citation.Sf_framecode citations_2 _Citation.Entry_ID 53625 _Citation.ID 2 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36304448 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Specific location of galactosylation in an afucosylated antiviral monoclonal antibody affects its FcgRIIIA binding affinity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Front. Immunol.' _Citation.Journal_name_full . _Citation.Journal_volume 13 _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 972168 _Citation.Page_last 972168 _Citation.Year 2022 _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 Grayson Hatfield . . . . 53625 2 2 Lioudmila Tepliakova . . . . 53625 2 3 Genevieve Gingras . . . . 53625 2 4 Andrew Stalker . . . . 53625 2 5 Xuguang Li . . . . 53625 2 6 Yves Aubin . . . . 53625 2 7 Roger Tam . . . . 53625 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53625 _Assembly.ID 1 _Assembly.Name 'Glycosylated FcEEM' _Assembly.BMRB_code . _Assembly.Number_of_components 8 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 G0-FcEEM 1 $entity_1 . . no native no no . . . 53625 1 2 G0-FcEEM 1 $entity_1 . . no native no no . . . 53625 1 3 G1(6)-FcEEM 1 $entity_1 . . no native no no . . . 53625 1 4 G1(6)-FcEEM 1 $entity_1 . . no native no no . . . 53625 1 5 G1(3)-FcEEM 1 $entity_1 . . no native no no . . . 53625 1 6 G1(3)-FcEEM 1 $entity_1 . . no native no no . . . 53625 1 7 G2-FcEEM 1 $entity_1 . . no native no no . . . 53625 1 8 G2-FcEEM 1 $entity_1 . . no native no no . . . 53625 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53625 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTCPPCPAPELLGGPSVFLF PPKPKDTLMISRTPEVTCVV VDVSHEDPEVKFNWYVDGVE VHNAKTKPREEQYNSTYRVV SVLTVLHQDWLNGKEYKCKV SNKALPAPIEKTISKAKGQP REPQVYTLPPSREEMTKNQV SLTCLVKGFYPSDIAVEWES NGQPENNYKTTPPVLDSDGS FFLYSKLTVDKSRWQQGNVF SCSVMHEALHNHYTQKSLSL SPGK ; _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 224 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _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 . MET . 53625 1 2 . THR . 53625 1 3 . CYS . 53625 1 4 . PRO . 53625 1 5 . PRO . 53625 1 6 . CYS . 53625 1 7 . PRO . 53625 1 8 . ALA . 53625 1 9 . PRO . 53625 1 10 . GLU . 53625 1 11 . LEU . 53625 1 12 . LEU . 53625 1 13 . GLY . 53625 1 14 . GLY . 53625 1 15 . PRO . 53625 1 16 . SER . 53625 1 17 . VAL . 53625 1 18 . PHE . 53625 1 19 . LEU . 53625 1 20 . PHE . 53625 1 21 . PRO . 53625 1 22 . PRO . 53625 1 23 . LYS . 53625 1 24 . PRO . 53625 1 25 . LYS . 53625 1 26 . ASP . 53625 1 27 . THR . 53625 1 28 . LEU . 53625 1 29 . MET . 53625 1 30 . ILE . 53625 1 31 . SER . 53625 1 32 . ARG . 53625 1 33 . THR . 53625 1 34 . PRO . 53625 1 35 . GLU . 53625 1 36 . VAL . 53625 1 37 . THR . 53625 1 38 . CYS . 53625 1 39 . VAL . 53625 1 40 . VAL . 53625 1 41 . VAL . 53625 1 42 . ASP . 53625 1 43 . VAL . 53625 1 44 . SER . 53625 1 45 . HIS . 53625 1 46 . GLU . 53625 1 47 . ASP . 53625 1 48 . PRO . 53625 1 49 . GLU . 53625 1 50 . VAL . 53625 1 51 . LYS . 53625 1 52 . PHE . 53625 1 53 . ASN . 53625 1 54 . TRP . 53625 1 55 . TYR . 53625 1 56 . VAL . 53625 1 57 . ASP . 53625 1 58 . GLY . 53625 1 59 . VAL . 53625 1 60 . GLU . 53625 1 61 . VAL . 53625 1 62 . HIS . 53625 1 63 . ASN . 53625 1 64 . ALA . 53625 1 65 . LYS . 53625 1 66 . THR . 53625 1 67 . LYS . 53625 1 68 . PRO . 53625 1 69 . ARG . 53625 1 70 . GLU . 53625 1 71 . GLU . 53625 1 72 . GLN . 53625 1 73 . TYR . 53625 1 74 . ASN . 53625 1 75 . SER . 53625 1 76 . THR . 53625 1 77 . TYR . 53625 1 78 . ARG . 53625 1 79 . VAL . 53625 1 80 . VAL . 53625 1 81 . SER . 53625 1 82 . VAL . 53625 1 83 . LEU . 53625 1 84 . THR . 53625 1 85 . VAL . 53625 1 86 . LEU . 53625 1 87 . HIS . 53625 1 88 . GLN . 53625 1 89 . ASP . 53625 1 90 . TRP . 53625 1 91 . LEU . 53625 1 92 . ASN . 53625 1 93 . GLY . 53625 1 94 . LYS . 53625 1 95 . GLU . 53625 1 96 . TYR . 53625 1 97 . LYS . 53625 1 98 . CYS . 53625 1 99 . LYS . 53625 1 100 . VAL . 53625 1 101 . SER . 53625 1 102 . ASN . 53625 1 103 . LYS . 53625 1 104 . ALA . 53625 1 105 . LEU . 53625 1 106 . PRO . 53625 1 107 . ALA . 53625 1 108 . PRO . 53625 1 109 . ILE . 53625 1 110 . GLU . 53625 1 111 . LYS . 53625 1 112 . THR . 53625 1 113 . ILE . 53625 1 114 . SER . 53625 1 115 . LYS . 53625 1 116 . ALA . 53625 1 117 . LYS . 53625 1 118 . GLY . 53625 1 119 . GLN . 53625 1 120 . PRO . 53625 1 121 . ARG . 53625 1 122 . GLU . 53625 1 123 . PRO . 53625 1 124 . GLN . 53625 1 125 . VAL . 53625 1 126 . TYR . 53625 1 127 . THR . 53625 1 128 . LEU . 53625 1 129 . PRO . 53625 1 130 . PRO . 53625 1 131 . SER . 53625 1 132 . ARG . 53625 1 133 . GLU . 53625 1 134 . GLU . 53625 1 135 . MET . 53625 1 136 . THR . 53625 1 137 . LYS . 53625 1 138 . ASN . 53625 1 139 . GLN . 53625 1 140 . VAL . 53625 1 141 . SER . 53625 1 142 . LEU . 53625 1 143 . THR . 53625 1 144 . CYS . 53625 1 145 . LEU . 53625 1 146 . VAL . 53625 1 147 . LYS . 53625 1 148 . GLY . 53625 1 149 . PHE . 53625 1 150 . TYR . 53625 1 151 . PRO . 53625 1 152 . SER . 53625 1 153 . ASP . 53625 1 154 . ILE . 53625 1 155 . ALA . 53625 1 156 . VAL . 53625 1 157 . GLU . 53625 1 158 . TRP . 53625 1 159 . GLU . 53625 1 160 . SER . 53625 1 161 . ASN . 53625 1 162 . GLY . 53625 1 163 . GLN . 53625 1 164 . PRO . 53625 1 165 . GLU . 53625 1 166 . ASN . 53625 1 167 . ASN . 53625 1 168 . TYR . 53625 1 169 . LYS . 53625 1 170 . THR . 53625 1 171 . THR . 53625 1 172 . PRO . 53625 1 173 . PRO . 53625 1 174 . VAL . 53625 1 175 . LEU . 53625 1 176 . ASP . 53625 1 177 . SER . 53625 1 178 . ASP . 53625 1 179 . GLY . 53625 1 180 . SER . 53625 1 181 . PHE . 53625 1 182 . PHE . 53625 1 183 . LEU . 53625 1 184 . TYR . 53625 1 185 . SER . 53625 1 186 . LYS . 53625 1 187 . LEU . 53625 1 188 . THR . 53625 1 189 . VAL . 53625 1 190 . ASP . 53625 1 191 . LYS . 53625 1 192 . SER . 53625 1 193 . ARG . 53625 1 194 . TRP . 53625 1 195 . GLN . 53625 1 196 . GLN . 53625 1 197 . GLY . 53625 1 198 . ASN . 53625 1 199 . VAL . 53625 1 200 . PHE . 53625 1 201 . SER . 53625 1 202 . CYS . 53625 1 203 . SER . 53625 1 204 . VAL . 53625 1 205 . MET . 53625 1 206 . HIS . 53625 1 207 . GLU . 53625 1 208 . ALA . 53625 1 209 . LEU . 53625 1 210 . HIS . 53625 1 211 . ASN . 53625 1 212 . HIS . 53625 1 213 . TYR . 53625 1 214 . THR . 53625 1 215 . GLN . 53625 1 216 . LYS . 53625 1 217 . SER . 53625 1 218 . LEU . 53625 1 219 . SER . 53625 1 220 . LEU . 53625 1 221 . SER . 53625 1 222 . PRO . 53625 1 223 . GLY . 53625 1 224 . LYS . 53625 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 53625 1 . THR 2 2 53625 1 . CYS 3 3 53625 1 . PRO 4 4 53625 1 . PRO 5 5 53625 1 . CYS 6 6 53625 1 . PRO 7 7 53625 1 . ALA 8 8 53625 1 . PRO 9 9 53625 1 . GLU 10 10 53625 1 . LEU 11 11 53625 1 . LEU 12 12 53625 1 . GLY 13 13 53625 1 . GLY 14 14 53625 1 . PRO 15 15 53625 1 . SER 16 16 53625 1 . VAL 17 17 53625 1 . PHE 18 18 53625 1 . LEU 19 19 53625 1 . PHE 20 20 53625 1 . PRO 21 21 53625 1 . PRO 22 22 53625 1 . LYS 23 23 53625 1 . PRO 24 24 53625 1 . LYS 25 25 53625 1 . ASP 26 26 53625 1 . THR 27 27 53625 1 . LEU 28 28 53625 1 . MET 29 29 53625 1 . ILE 30 30 53625 1 . SER 31 31 53625 1 . ARG 32 32 53625 1 . THR 33 33 53625 1 . PRO 34 34 53625 1 . GLU 35 35 53625 1 . VAL 36 36 53625 1 . THR 37 37 53625 1 . CYS 38 38 53625 1 . VAL 39 39 53625 1 . VAL 40 40 53625 1 . VAL 41 41 53625 1 . ASP 42 42 53625 1 . VAL 43 43 53625 1 . SER 44 44 53625 1 . HIS 45 45 53625 1 . GLU 46 46 53625 1 . ASP 47 47 53625 1 . PRO 48 48 53625 1 . GLU 49 49 53625 1 . VAL 50 50 53625 1 . LYS 51 51 53625 1 . PHE 52 52 53625 1 . ASN 53 53 53625 1 . TRP 54 54 53625 1 . TYR 55 55 53625 1 . VAL 56 56 53625 1 . ASP 57 57 53625 1 . GLY 58 58 53625 1 . VAL 59 59 53625 1 . GLU 60 60 53625 1 . VAL 61 61 53625 1 . HIS 62 62 53625 1 . ASN 63 63 53625 1 . ALA 64 64 53625 1 . LYS 65 65 53625 1 . THR 66 66 53625 1 . LYS 67 67 53625 1 . PRO 68 68 53625 1 . ARG 69 69 53625 1 . GLU 70 70 53625 1 . GLU 71 71 53625 1 . GLN 72 72 53625 1 . TYR 73 73 53625 1 . ASN 74 74 53625 1 . SER 75 75 53625 1 . THR 76 76 53625 1 . TYR 77 77 53625 1 . ARG 78 78 53625 1 . VAL 79 79 53625 1 . VAL 80 80 53625 1 . SER 81 81 53625 1 . VAL 82 82 53625 1 . LEU 83 83 53625 1 . THR 84 84 53625 1 . VAL 85 85 53625 1 . LEU 86 86 53625 1 . HIS 87 87 53625 1 . GLN 88 88 53625 1 . ASP 89 89 53625 1 . TRP 90 90 53625 1 . LEU 91 91 53625 1 . ASN 92 92 53625 1 . GLY 93 93 53625 1 . LYS 94 94 53625 1 . GLU 95 95 53625 1 . TYR 96 96 53625 1 . LYS 97 97 53625 1 . CYS 98 98 53625 1 . LYS 99 99 53625 1 . VAL 100 100 53625 1 . SER 101 101 53625 1 . ASN 102 102 53625 1 . LYS 103 103 53625 1 . ALA 104 104 53625 1 . LEU 105 105 53625 1 . PRO 106 106 53625 1 . ALA 107 107 53625 1 . PRO 108 108 53625 1 . ILE 109 109 53625 1 . GLU 110 110 53625 1 . LYS 111 111 53625 1 . THR 112 112 53625 1 . ILE 113 113 53625 1 . SER 114 114 53625 1 . LYS 115 115 53625 1 . ALA 116 116 53625 1 . LYS 117 117 53625 1 . GLY 118 118 53625 1 . GLN 119 119 53625 1 . PRO 120 120 53625 1 . ARG 121 121 53625 1 . GLU 122 122 53625 1 . PRO 123 123 53625 1 . GLN 124 124 53625 1 . VAL 125 125 53625 1 . TYR 126 126 53625 1 . THR 127 127 53625 1 . LEU 128 128 53625 1 . PRO 129 129 53625 1 . PRO 130 130 53625 1 . SER 131 131 53625 1 . ARG 132 132 53625 1 . GLU 133 133 53625 1 . GLU 134 134 53625 1 . MET 135 135 53625 1 . THR 136 136 53625 1 . LYS 137 137 53625 1 . ASN 138 138 53625 1 . GLN 139 139 53625 1 . VAL 140 140 53625 1 . SER 141 141 53625 1 . LEU 142 142 53625 1 . THR 143 143 53625 1 . CYS 144 144 53625 1 . LEU 145 145 53625 1 . VAL 146 146 53625 1 . LYS 147 147 53625 1 . GLY 148 148 53625 1 . PHE 149 149 53625 1 . TYR 150 150 53625 1 . PRO 151 151 53625 1 . SER 152 152 53625 1 . ASP 153 153 53625 1 . ILE 154 154 53625 1 . ALA 155 155 53625 1 . VAL 156 156 53625 1 . GLU 157 157 53625 1 . TRP 158 158 53625 1 . GLU 159 159 53625 1 . SER 160 160 53625 1 . ASN 161 161 53625 1 . GLY 162 162 53625 1 . GLN 163 163 53625 1 . PRO 164 164 53625 1 . GLU 165 165 53625 1 . ASN 166 166 53625 1 . ASN 167 167 53625 1 . TYR 168 168 53625 1 . LYS 169 169 53625 1 . THR 170 170 53625 1 . THR 171 171 53625 1 . PRO 172 172 53625 1 . PRO 173 173 53625 1 . VAL 174 174 53625 1 . LEU 175 175 53625 1 . ASP 176 176 53625 1 . SER 177 177 53625 1 . ASP 178 178 53625 1 . GLY 179 179 53625 1 . SER 180 180 53625 1 . PHE 181 181 53625 1 . PHE 182 182 53625 1 . LEU 183 183 53625 1 . TYR 184 184 53625 1 . SER 185 185 53625 1 . LYS 186 186 53625 1 . LEU 187 187 53625 1 . THR 188 188 53625 1 . VAL 189 189 53625 1 . ASP 190 190 53625 1 . LYS 191 191 53625 1 . SER 192 192 53625 1 . ARG 193 193 53625 1 . TRP 194 194 53625 1 . GLN 195 195 53625 1 . GLN 196 196 53625 1 . GLY 197 197 53625 1 . ASN 198 198 53625 1 . VAL 199 199 53625 1 . PHE 200 200 53625 1 . SER 201 201 53625 1 . CYS 202 202 53625 1 . SER 203 203 53625 1 . VAL 204 204 53625 1 . MET 205 205 53625 1 . HIS 206 206 53625 1 . GLU 207 207 53625 1 . ALA 208 208 53625 1 . LEU 209 209 53625 1 . HIS 210 210 53625 1 . ASN 211 211 53625 1 . HIS 212 212 53625 1 . TYR 213 213 53625 1 . THR 214 214 53625 1 . GLN 215 215 53625 1 . LYS 216 216 53625 1 . SER 217 217 53625 1 . LEU 218 218 53625 1 . SER 219 219 53625 1 . LEU 220 220 53625 1 . SER 221 221 53625 1 . PRO 222 222 53625 1 . GLY 223 223 53625 1 . LYS 224 224 53625 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 53625 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 53625 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . save_ save_entity_4 _Entity.Sf_category entity _Entity.Sf_framecode entity_4 _Entity.Entry_ID 53625 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name entity_4 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 4 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . save_ save_entity_5 _Entity.Sf_category entity _Entity.Sf_framecode entity_5 _Entity.Entry_ID 53625 _Entity.ID 5 _Entity.BMRB_code . _Entity.Name entity_5 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 5 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 53625 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53625 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 53625 _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 . na 'Pichia pastoris' . . . Pichia pastoris . . . . . . . . . . 53625 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53625 _Sample.ID 1 _Sample.Name 'Sample 1' _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 FcEEM '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 15 . . uM . . . . 53625 1 2 'sodium acetate' [U-2H] . . . . . . 50 . . mM . . . . 53625 1 3 G0 'natural abundance' . . . . . . na . . na . . . . 53625 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 53625 _Sample.ID 2 _Sample.Name 'Sample 2' _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 FcEEM '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 15 . . uM . . . . 53625 2 2 'sodium acetate' [U-2H] . . . . . . 50 . . uM . . . . 53625 2 3 G1(6) 'natural abundance' . . . . . . na . . na . . . . 53625 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 53625 _Sample.ID 3 _Sample.Name 'Sample 3' _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 FcEEM '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 15 . . uM . . . . 53625 3 2 'sodium acetate' [U-2H] . . . . . . 50 . . uM . . . . 53625 3 3 G1(3) 'natural abundance' . . . . . . na . . na . . . . 53625 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 53625 _Sample.ID 4 _Sample.Name 'Sample 4' _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 FcEEM '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 15 . . uM . . . . 53625 4 2 'sodium acetate' [U-2H] . . . . . . 50 . . uM . . . . 53625 4 3 G2 'natural abundance' . . . . . . na . . na . . . . 53625 4 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 53625 _Sample_condition_list.ID 1 _Sample_condition_list.Name Sample_condition_list_40C _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . pH 53625 1 temperature 313 . K 53625 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 53625 _Sample_condition_list.ID 2 _Sample_condition_list.Name Sample_condition_list_45C _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . pH 53625 2 temperature 318 . K 53625 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 53625 _Sample_condition_list.ID 3 _Sample_condition_list.Name Sample_condition_list_50C _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . pH 53625 3 temperature 323 . K 53625 3 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53625 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53625 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53625 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53625 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53625 _Software.ID 3 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 53625 3 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 53625 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '700 MHz AVANCE III' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 53625 _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 '2D 1H-15N HSQC' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53625 1 2 '2D 1H-13C HSQC' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53625 1 3 '2D 1H-15N HSQC' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53625 1 4 '2D 1H-13C HSQC' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53625 1 5 '2D 1H-15N HSQC' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53625 1 6 '2D 1H-13C HSQC' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53625 1 7 '2D 1H-15N HSQC' no no yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53625 1 8 '2D 1H-13C HSQC' no no yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53625 1 9 '2D 1H-15N HSQC' no no yes . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53625 1 10 '2D 1H-13C HSQC' no no yes . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53625 1 11 '2D 1H-15N HSQC' no no yes . . . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53625 1 12 '2D 1H-13C HSQC' no no yes . . . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53625 1 13 '2D 1H-15N HSQC' no no yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53625 1 14 '2D 1H-13C HSQC' no no yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53625 1 15 '2D 1H-15N HSQC' no no yes . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53625 1 16 '2D 1H-13C HSQC' no no yes . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53625 1 17 '2D 1H-15N HSQC' no no yes . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53625 1 18 '2D 1H-13C HSQC' no no yes . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53625 1 19 '2D 1H-15N HSQC' no no yes . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53625 1 20 '2D 1H-13C HSQC' no no yes . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53625 1 21 '2D 1H-15N HSQC' no no yes . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53625 1 22 '2D 1H-13C HSQC' no no yes . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53625 1 23 '2D 1H-15N HSQC' no no yes . . . . . . . . . . 4 $sample_4 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53625 1 24 '2D 1H-13C HSQC' no no yes . . . . . . . . . . 4 $sample_4 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53625 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 53625 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Chem_shift_reference1 _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 na 'methyl carbons' . . . . ppm 0 na direct 1 . . . . . 53625 1 H 1 DSS protons . . . . ppm 0 internal direct 1 . . . . . 53625 1 N 15 na nitrogen . . . . ppm 0 na direct 1 . . . . . 53625 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 53625 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name Fc_EEM_G0 _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 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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf HN 15N s25r001-10_trosy_DG2-274.nv 4204.64404297 2837.68408203 700.132995605 70.952003479 HN.L HN.P HN.W HN.B HN.E HN.J HN.U 15N.L 15N.P 15N.W 15N.B 15N.E 15N.J 15N.U vol int stat comment flag0 flag8 flag9 0 {L639.H} 9.15985 0.02779 0.05636 ++ {0.0} {} {L639.N} 134.06813 0.12316 0.34549 ++ {0.0} {} 0.0 57.2038 0 {} 0 0 0 1 {D509.H} 9.84605 0.02726 0.04590 ++ {0.0} {} {D509.N} 131.22981 0.13794 0.29100 ++ {0.0} {} 0.0 27.4212 0 {} 0 0 0 2 {K638.H} 9.46996 0.02584 0.03917 ++ {0.0} {} {K638.N} 131.18591 0.16694 0.29463 ++ {0.0} {} 0.0 21.7072 0 {} 0 0 0 3 {L597.H} 9.35619 0.02142 0.04945 ++ {0.0} {} {L597.N} 131.16919 0.10724 0.32386 ++ {0.0} {} 0.0 79.2329 0 {} 0 0 0 4 {C490.H} 9.93480 0.02955 0.04222 ++ {0.0} {} {C490.N} 130.01353 0.18964 0.29896 ++ {0.0} {} 0.0 17.3734 0 {} 0 0 0 5 {L535.H} 8.46141 0.02733 0.04482 ++ {0.0} {} {L535.N} 129.82372 0.16171 0.29789 ++ {0.0} {} 0.0 26.0978 0 {} 0 0 0 6 {E512.H} 8.81037 0.02149 0.04242 ++ {0.0} {} {E512.N} 129.35213 0.13148 0.31661 ++ {0.0} {} 0.0 38.5063 0 {} 0 0 0 7 {C596.H} 9.71554 0.02664 0.05422 ++ {0.0} {} {C596.N} 128.70462 0.15724 0.30856 ++ {0.0} {} 0.0 59.4315 0 {} 0 0 0 8 {D628.H} 9.53865 0.01979 0.03829 ++ {0.0} {} {D628.N} 128.79146 0.12013 0.31867 ++ {0.0} {} 0.0 54.7882 0 {} 0 0 0 9 {A568.H} 8.55612 0.02430 0.03850 ++ {0.0} {} {A568.N} 128.75304 0.18478 0.33555 ++ {0.0} {} 0.0 24.6933 0 {} 0 0 0 10 {L594.H} 9.22208 0.02240 0.05655 ++ {0.0} {} {L594.N} 128.48523 0.13073 0.34334 ++ {0.0} {} 0.0 65.0399 0 {} 0 0 0 11 {F652.H} 9.00540 0.02185 0.05079 ++ {0.0} {} {F652.N} 128.43423 0.14509 0.36293 ++ {0.0} {} 0.0 59.5688 0 {} 0 0 0 12 {K551.H} 9.04468 0.02966 0.04916 ++ {0.0} {} {K551.N} 128.44473 0.14681 0.28304 ++ {0.0} {} 0.0 22.4856 0 {} 0 0 0 13 {K519.H} 8.68134 0.03082 0.03479 ++ {0.0} {} {K519.N} 128.26846 0.16295 0.18867 ++ {0.0} {} 0.0 11.5166 0 {} 0 0 0 14 {V552.H} 9.14526 0.02650 0.04181 ++ {0.0} {} {V552.N} 127.81712 0.15291 0.27061 ++ {0.0} {} 0.0 19.7709 0 {} 0 0 0 15 {L627.H} 8.27861 0.02005 0.05132 ++ {0.0} {} {L627.N} 127.88311 0.12454 0.32182 ++ {0.0} {} 0.0 91.4695 0 {} 0 0 0 16 {R584.H} 8.94976 0.02544 0.05476 ++ {0.0} {} {R584.N} 127.39537 0.15817 0.49564 ++ {0.0} {} 0.0 75.6704 0 {} 0 0 0 17 {K643.H} 8.66526 0.02206 0.05223 ++ {0.0} {} {K643.N} 127.09795 0.13957 0.40048 ++ {0.0} {} 0.0 86.6778 0 {} 0 0 0 18 {V492.H} 9.25577 0.02867 0.03834 ++ {0.0} {} {V492.N} 126.98722 0.16818 0.24151 ++ {0.0} {} 0.0 15.4133 0 {} 0 0 0 19 {Y548.H} 9.07249 0.02317 0.03502 ++ {0.0} {} {Y548.N} 127.00925 0.15801 0.27202 ++ {0.0} {} 0.0 19.1031 0 {} 0 0 0 20 {V491.H} 9.46819 0.02682 0.04406 ++ {0.0} {} {V491.N} 126.73635 0.14770 0.28800 ++ {0.0} {} 0.0 26.5518 0 {} 0 0 0 21 {V532.H} 8.36217 0.03246 0.04413 ++ {0.0} {} {V532.N} 126.69684 0.15611 0.21716 ++ {0.0} {} 0.0 13.6938 0 {} 0 0 0 22 {E659.H} 8.65894 0.03234 0.04772 ++ {0.0} {} {E659.N} 126.51377 0.21430 0.31575 ++ {0.0} {} 0.0 19.6467 0 {} 0 0 0 23 {N613.H} 9.31032 0.02179 0.03695 ++ {0.0} {} {N613.N} 126.64541 0.30074 0.42963 ++ {0.0} {} 0.0 22.2388 0 {} 0 0 0 24 {E523.H} 8.98114 0.02615 0.03193 ++ {0.0} {} {E523.N} 126.21961 0.25098 0.30661 ++ {0.0} {} 0.0 12.9451 0 {} 0 0 0 25 {A607.H} 8.11687 0.02358 0.03982 ++ {0.0} {} {A607.N} 126.27168 0.20287 0.31047 ++ {0.0} {} 0.0 25.8989 0 {} 0 0 0 26 {V626.H} 9.19655 0.02573 0.04246 ++ {0.0} {} {V626.N} 126.17886 0.18552 0.27044 ++ {0.0} {} 0.0 22.6767 0 {} 0 0 0 27 {K503.H} 8.22185 0.03352 0.06071 ++ {0.0} {} {K503.N} 126.13053 0.16942 0.29358 ++ {0.0} {} 0.0 24.1366 0 {} 0 0 0 28 {K676.H} 7.66449 0.01775 0.04115 ++ {0.0} {} {K676.N} 125.81020 0.14003 0.50711 ++ {0.0} {} 0.0 291.2917 0 {} 0 0 0 29 {V531.H} 9.16549 0.02013 0.04404 ++ {0.0} {} {V531.N} 125.63221 0.10965 0.28199 ++ {0.0} {} 0.0 47.6316 -1 {} 0 0 0 30 {A460.H} 8.16685 0.02477 0.04811 ++ {0.0} {} {A460.N} 125.47073 0.15050 0.33937 ++ {0.0} {} 0.0 47.9727 0 {} 0 0 0 31 {V534.H} 8.65060 0.02809 0.06114 ++ {0.0} {} {V534.N} 125.38631 0.20395 0.54119 ++ {0.0} {} 0.0 47.7980 0 {} 0 0 0 32 {V531.H} 9.28557 0.03127 0.03715 ++ {0.0} {} {V531.N} 125.48894 0.26822 0.31274 ++ {0.0} {} 0.0 12.8766 0 {} 0 0 0 33 {E609.H} 8.84014 0.02418 0.05126 ++ {0.0} {} {E609.N} 125.71035 0.20774 0.44130 ++ {0.0} {} 0.0 71.6285 0 {} 0 0 0 34 {C550.H} 8.63919 0.02844 0.04790 ++ {0.0} {} {C550.N} 125.42715 0.16380 0.33116 ++ {0.0} {} 0.0 21.2259 0 {} 0 0 0 35 {T640.H} 8.14693 0.04410 0.06299 ++ {0.0} {} {T640.N} 125.27579 0.13220 0.33093 ++ {0.0} {} 0.0 63.8317 0 {} 0 0 0 36 {F470.H} 9.38711 0.02899 0.04601 ++ {0.0} {} {F470.N} 125.12501 0.15494 0.26927 ++ {0.0} {} 0.0 21.4745 0 {} 0 0 0 37 {L672.H} 8.69619 0.02543 0.07339 ++ {0.0} {} {L672.N} 124.74640 0.13132 0.33953 ++ {0.0} {} 0.0 65.2806 0 {} 0 0 0 38 {K567.H} 8.65051 0.04315 0.06164 ++ {0.0} {} {K567.N} 124.75938 0.24097 0.29567 ++ {0.0} {} 0.0 13.5469 0 {} 0 0 0 39 {Y578.H} 9.28388 0.02526 0.05535 ++ {0.0} {} {Y578.N} 124.61497 0.13942 0.43469 ++ {0.0} {} 0.0 82.0009 0 {} 0 0 0 40 {L580.H} 9.43914 0.01417 0.01113 ++ {0.0} {} {L580.N} 124.10309 0.17525 0.05055 ++ {0.0} {} 0.0 5.8467 0 {} 0 0 0 41 {A660.H} 10.40236 0.03001 0.04204 ++ {0.0} {} {A660.N} 124.22035 0.22293 0.30714 ++ {0.0} {} 0.0 17.2518 0 {} 0 0 0 42 {L670.H} 9.46876 0.02842 0.07664 ++ {0.0} {} {L670.N} 124.02315 0.16087 0.44908 ++ {0.0} {} 0.0 74.5453 0 {} 0 0 0 43 {E574.H} 8.57078 0.02432 0.04425 ++ {0.0} {} {E574.N} 124.06941 0.17100 0.30930 ++ {0.0} {} 0.0 40.6824 0 {} 0 0 0 44 {E562.H} 8.39085 0.02649 0.04910 ++ {0.0} {} {E562.N} 123.84856 0.20830 0.37282 ++ {0.0} {} 0.0 34.8924 0 {} 0 0 0 45 {V511.H} 7.93660 0.02361 0.03972 ++ {0.0} {} {V511.N} 123.79831 0.20324 0.30881 ++ {0.0} {} 0.0 28.5726 0 {} 0 0 0 46 {K549.H} 9.38166 0.02502 0.04395 ++ {0.0} {} {K549.N} 123.62777 0.18006 0.29201 ++ {0.0} {} 0.0 22.8751 0 {} 0 0 0 47 {S655.H} 8.77128 0.02534 0.03890 ++ {0.0} {} {S655.N} 123.71680 0.23680 0.36992 ++ {0.0} {} 0.0 24.1335 0 {} 0 0 0 48 {A516.H} 8.02238 0.02785 0.03469 ++ {0.0} {} {A516.N} 123.57233 0.22189 0.27607 ++ {0.0} {} 0.0 13.0429 0 {} 0 0 0 49 {V656.H} 8.38045 0.02107 0.04408 ++ {0.0} {} {V656.N} 123.56402 0.14692 0.24778 ++ {0.0} {} 0.0 30.1073 0 {} 0 0 0 50 {L471.H} 8.07223 0.02730 0.07103 ++ {0.0} {} {L471.N} 123.02914 0.20765 0.52585 ++ {0.0} {} 0.0 54.9855 0 {} 0 0 0 51 {I606.H} 7.88959 0.02515 0.04672 ++ {0.0} {} {I606.N} 123.47283 0.17176 0.32011 ++ {0.0} {} 0.0 30.2199 0 {} 0 0 0 52 {E617.H} 8.08468 0.02622 0.04516 ++ {0.0} {} {E617.N} 122.99552 0.19131 0.31603 ++ {0.0} {} 0.0 28.3966 0 {} 0 0 0 53 {M657.H} 8.69189 0.02725 0.05088 ++ {0.0} {} {M657.N} 123.48753 0.21277 0.32395 ++ {0.0} {} 0.0 25.3446 0 {} 0 0 0 54 {D642.H} 8.43858 0.03390 0.04843 ++ {0.0} {} {D642.N} 123.31955 0.18909 0.46464 ++ {0.0} {} 0.0 59.8412 0 {} 0 0 0 55 {W506.H} 8.77083 0.02495 0.05313 ++ {0.0} {} {W506.N} 122.81280 0.19350 0.85433 ++ {0.0} {} 0.0 66.7781 0 {} 0 0 0 56 {K599.H} 9.28937 0.02495 0.05449 ++ {0.0} {} {K599.N} 122.70755 0.13223 0.40644 ++ {0.0} {} 0.0 45.4572 0 {} 0 0 0 57 {I482.H} 8.16867 0.02780 0.04617 ++ {0.0} {} {I482.N} 122.31729 0.25332 0.41640 ++ {0.0} {} 0.0 23.0673 0 {} 0 0 0 58 {L464.H} 8.02174 0.02996 0.06052 ++ {0.0} {} {L464.N} 122.99615 0.22111 0.47906 ++ {0.0} {} 0.0 28.8159 0 {} 0 0 0 59 {R521.H} 8.41082 0.02805 0.04861 ++ {0.0} {} {R521.N} 122.40241 0.23639 0.34785 ++ {0.0} {} 0.0 25.6605 0 {} 0 0 0 60 {V577.H} 7.75408 0.02502 0.07548 ++ {0.0} {} {V577.N} 122.41309 0.18643 0.48234 ++ {0.0} {} 0.0 116.3260 0 {} 0 0 0 61 {R573.H} 9.38574 0.02623 0.03697 ++ {0.0} {} {R573.N} 122.19733 0.21884 0.27606 ++ {0.0} {} 0.0 16.4367 0 {} 0 0 0 62 {E522.H} 8.74948 0.02293 0.03300 ++ {0.0} {} {E522.N} 122.20368 0.24400 0.33557 ++ {0.0} {} 0.0 16.2272 0 {} 0 0 0 63 {L463.H} 8.05983 0.04250 0.03381 ++ {0.0} {} {L463.N} 122.16250 0.28957 0.21281 ++ {0.0} {} 0.0 8.5694 0 {} 0 0 0 64 {K589.H} 7.88073 0.02653 0.07621 ++ {0.0} {} {K589.N} 122.29921 0.18048 0.57332 ++ {0.0} {} 0.0 109.4875 0 {} 0 0 0 65 {K563.H} 8.60924 0.02654 0.04613 ++ {0.0} {} {K563.N} 122.26432 0.17759 0.33249 ++ {0.0} {} 0.0 26.5163 0 {} 0 0 0 66 {L538.H} 8.32197 0.02836 0.05117 ++ {0.0} {} {L538.N} 122.42755 0.23422 0.40008 ++ {0.0} {} 0.0 28.6353 0 {} 0 0 0 67 {V495.H} 7.99489 0.02788 0.06230 ++ {0.0} {} {V495.N} 122.57861 0.25169 0.42569 ++ {0.0} {} 0.0 26.7105 0 {} 0 0 0 68 {Q571.H} 8.12549 0.03097 0.05570 ++ {0.0} {} {Q571.N} 122.18003 0.25692 0.45319 ++ {0.0} {} 0.0 38.1180 0 {} 0 0 0 69 {V608.H} 8.06305 0.03390 0.04843 ++ {0.0} {} {V608.N} 122.00804 0.23803 0.36989 ++ {0.0} {} 0.0 31.3572 0 {} 0 0 0 70 {I561.H} 8.33191 0.03537 0.05452 ++ {0.0} {} {I561.N} 122.14892 0.08314 0.28158 ++ {0.0} {} 0.0 20.4277 0 {} 0 0 0 71 {V508.H} 8.89862 0.02324 0.04212 ++ {0.0} {} {V508.N} 121.74764 0.20573 0.29953 ++ {0.0} {} 0.0 25.8819 0 {} 0 0 0 72 {V469.H} 7.86341 0.02519 0.04607 ++ {0.0} {} {V469.N} 121.53683 0.25889 0.38580 ++ {0.0} {} 0.0 20.8089 0 {} 0 0 0 73 {F504.H} 8.58468 0.02287 0.03765 ++ {0.0} {} {F504.N} 120.99641 0.24532 0.42409 ++ {0.0} {} 0.0 21.4284 0 {} 0 0 0 74 {E586.H} 7.47594 0.02397 0.06173 ++ {0.0} {} {E586.N} 121.63532 0.18554 0.47594 ++ {0.0} {} 0.0 71.9620 0 {} 0 0 0 75 {I565.H} 9.35557 0.02448 0.04135 ++ {0.0} {} {I565.N} 121.36399 0.17876 0.29895 ++ {0.0} {} 0.0 30.2781 0 {} 0 0 0 76 {T666.H} 8.29400 0.03420 0.05735 ++ {0.0} {} {T666.N} 121.41304 0.30811 0.50835 ++ {0.0} {} 0.0 23.2107 0 {} 0 0 0 77 {V651.H} 8.21358 0.02506 0.06520 ++ {0.0} {} {V651.N} 121.06190 0.14612 0.39003 ++ {0.0} {} 0.0 105.9092 0 {} 0 0 0 78 {T622.H} 9.00112 0.02764 0.05186 ++ {0.0} {} {T622.N} 120.89169 0.26429 0.42041 ++ {0.0} {} 0.0 30.8056 0 {} 0 0 0 79 {C458.H} 8.52684 0.02407 0.04489 ++ {0.0} {} {C458.N} 121.01643 0.24271 0.48323 ++ {0.0} {} 0.0 41.6471 0 {} 0 0 0 80 {S533.H} 8.90351 0.02328 0.04843 ++ {0.0} {} {S533.N} 120.66099 0.11674 0.30796 ++ {0.0} {} 0.0 56.5284 0 {} 0 0 0 81 {N505.H} 9.22762 0.02322 0.03456 ++ {0.0} {} {N505.N} 120.64683 0.18989 0.28362 ++ {0.0} {} 0.0 17.9651 0 {} 0 0 0 82 {Q576.H} 8.97197 0.03268 0.04668 ++ {0.0} {} {Q576.N} 120.65594 0.22362 0.40305 ++ {0.0} {} 0.0 29.9603 0 {} 0 0 0 83 {K569.H} 8.29065 0.02676 0.04960 ++ {0.0} {} {K569.N} 120.82879 0.24021 0.42653 ++ {0.0} {} 0.0 33.3687 0 {} 0 0 0 84 {N554.H} 8.07966 0.02672 0.03786 ++ {0.0} {} {N554.N} 120.89045 0.34500 0.51874 ++ {0.0} {} 0.0 17.7264 0 {} 0 0 0 85 {N619.H} 8.40004 0.03098 0.03870 ++ {0.0} {} {N619.N} 120.52800 0.28689 0.35231 ++ {0.0} {} 0.0 14.1264 0 {} 0 0 0 86 {V537.H} 7.83998 0.02793 0.04881 ++ {0.0} {} {V537.N} 120.45468 0.19631 0.38279 ++ {0.0} {} 0.0 28.5374 0 {} 0 0 0 87 {K517.H} 8.50366 0.03304 0.08033 ++ {0.0} {} {K517.N} 120.22089 0.25093 0.55656 ++ {0.0} {} 0.0 32.2197 0 {} 0 0 0 88 {V488.H} 8.49486 0.03402 0.07143 ++ {0.0} {} {V488.N} 120.39865 0.24324 0.43197 ++ {0.0} {} 0.0 32.6456 0 {} 0 0 0 89 {Q667.H} 7.63296 0.02120 0.04316 ++ {0.0} {} {Q667.N} 120.33739 0.23308 0.41110 ++ {0.0} {} 0.0 31.0230 0 {} 0 0 0 90 {D605.H} 6.76554 0.03973 0.05595 ++ {0.0} {} {D605.N} 120.51602 0.19034 0.28108 ++ {0.0} {} 0.0 16.5828 0 {} 0 0 0 91 {R530.H} 8.77207 0.02840 0.04436 ++ {0.0} {} {R530.N} 120.19494 0.17314 0.27897 ++ {0.0} {} 0.0 20.9014 0 {} 0 0 0 92 {R645.H} 7.39967 0.02427 0.06446 ++ {0.0} {} {R645.N} 120.26078 0.18722 0.36855 ++ {0.0} {} 0.0 59.0686 0 {} 0 0 0 93 {Y525.H} 8.34916 0.02663 0.05741 ++ {0.0} {} {Y525.N} 119.97861 0.18047 0.29452 ++ {0.0} {} 0.0 39.8934 0 {} 0 0 0 94 {Q615.H} 7.91508 0.02237 0.04959 ++ {0.0} {} {Q615.N} 119.81818 0.11865 0.34282 ++ {0.0} {} 0.0 72.5574 0 {} 0 0 0 95 {H658.H} 7.09727 0.02766 0.04750 ++ {0.0} {} {H658.N} 120.12904 0.16431 0.28639 ++ {0.0} {} 0.0 24.3050 0 {} 0 0 0 96 {Y602.H} 8.29014 0.04746 0.06780 ++ {0.0} {} {Y602.N} 119.81510 0.24726 0.30439 ++ {0.0} {} 0.0 13.7889 0 {} 0 0 0 97 {D541.H} 6.98624 0.03160 0.05780 ++ {0.0} {} {D541.N} 119.72800 0.13884 0.39102 ++ {0.0} {} 0.0 46.6667 0 {} 0 0 0 98 {K621.H} 8.46716 0.02790 0.06471 ++ {0.0} {} {K621.N} 119.33021 0.30074 0.42963 ++ {0.0} {} 0.0 38.4008 0 {} 0 0 0 99 {W646.H} 7.44147 0.02914 0.05766 ++ {0.0} {} {W646.N} 119.37397 0.15121 0.30794 ++ {0.0} {} 0.0 42.3266 0 {} 0 0 0 100 {V641.H} 8.42876 0.02665 0.05279 ++ {0.0} {} {V641.N} 119.88235 0.16831 0.30946 ++ {0.0} {} 0.0 45.5358 0 {} 0 0 0 101 {V513.H} 8.13505 0.03036 0.04808 ++ {0.0} {} {V513.N} 118.84824 0.22781 0.36077 ++ {0.0} {} 0.0 20.9090 0 {} 0 0 0 102 {T489.H} 7.91826 0.02728 0.04764 ++ {0.0} {} {T489.N} 119.40361 0.24842 0.35365 ++ {0.0} {} 0.0 19.7329 0 {} 0 0 0 103 {E547.H} 8.45970 0.01894 0.05359 ++ {0.0} {} {E547.N} 119.17845 0.19571 0.46789 ++ {0.0} {} 0.0 58.3592 0 {} 0 0 0 104 {M481.H} 7.24699 0.02687 0.04220 ++ {0.0} {} {M481.N} 118.97424 0.19507 0.31705 ++ {0.0} {} 0.0 22.6302 0 {} 0 0 0 105 {W542.H} 7.62938 0.03138 0.05109 ++ {0.0} {} {W542.N} 118.68202 0.20490 0.39506 ++ {0.0} {} 0.0 26.3204 0 {} 0 0 0 106 {S673.H} 8.07916 0.02304 0.05461 ++ {0.0} {} {S673.N} 118.74885 0.19023 0.63927 ++ {0.0} {} 0.0 129.4164 0 {} 0 0 0 107 {Y665.H} 7.32156 0.02754 0.05010 ++ {0.0} {} {Y665.N} 118.45201 0.18860 0.34104 ++ {0.0} {} 0.0 29.3102 0 {} 0 0 0 108 {K546.H} 7.37962 0.03666 0.06780 ++ {0.0} {} {K546.N} 118.37428 0.27243 0.40186 ++ {0.0} {} 0.0 21.1504 0 {} 0 0 0 109 {A559.H} 7.25907 0.03025 0.04637 ++ {0.0} {} {A559.N} 118.34765 0.23422 0.33110 ++ {0.0} {} 0.0 20.4332 0 {} 0 0 0 110 {S553.H} 8.31833 0.02983 0.04744 ++ {0.0} {} {S553.N} 118.33955 0.20544 0.31181 ++ {0.0} {} 0.0 20.5446 0 {} 0 0 0 111 {S669.H} 8.56031 0.02529 0.05151 ++ {0.0} {} {S669.N} 118.16062 0.20006 0.50142 ++ {0.0} {} 0.0 62.8258 0 {} 0 0 0 112 {Q591.H} 7.40544 0.02695 0.05705 ++ {0.0} {} {Q591.N} 118.18420 0.13062 0.56348 ++ {0.0} {} 0.0 89.0344 0 {} 0 0 0 113 {T623.H} 9.51382 0.02530 0.04767 ++ {0.0} {} {T623.N} 118.22704 0.12656 0.30307 ++ {0.0} {} 0.0 54.5429 0 {} 0 0 0 114 {S496.H} 8.24510 0.03122 0.03350 ++ {0.0} {} {S496.N} 117.99267 0.25012 0.26559 ++ {0.0} {} 0.0 10.9897 0 {} 0 0 0 115 {E611.H} 9.08422 0.02260 0.04457 ++ {0.0} {} {E611.N} 118.31295 0.14964 0.30659 ++ {0.0} {} 0.0 54.0205 0 {} 0 0 0 116 {T595.H} 7.86533 0.02514 0.05649 ++ {0.0} {} {T595.N} 117.65358 0.15549 0.34091 ++ {0.0} {} 0.0 46.6462 0 {} 0 0 0 117 {E487.H} 7.71641 0.02190 0.04089 ++ {0.0} {} {E487.N} 117.65501 0.19030 0.30853 ++ {0.0} {} 0.0 31.2407 0 {} 0 0 0 118 {D630.H} 7.59457 0.03114 0.06341 ++ {0.0} {} {D630.N} 117.59330 0.14663 0.47594 ++ {0.0} {} 0.0 61.7915 0 {} 0 0 0 119 {L480.H} 7.12774 0.03387 0.04140 ++ {0.0} {} {L480.N} 117.37034 0.19235 0.24696 ++ {0.0} {} 0.0 12.6607 0 {} 0 0 0 120 {S583.H} 8.85664 0.02831 0.06217 ++ {0.0} {} {S583.N} 117.27367 0.13627 0.36252 ++ {0.0} {} 0.0 46.9384 0 {} 0 0 0 121 {E585.H} 8.52022 0.02398 0.05551 ++ {0.0} {} {E585.N} 117.23782 0.16712 0.46763 ++ {0.0} {} 0.0 65.3511 0 {} 0 0 0 122 {Y507.H} 9.15655 0.02634 0.03678 ++ {0.0} {} {Y507.N} 116.63819 0.17451 0.26421 ++ {0.0} {} 0.0 16.3092 0 {} 0 0 0 123 {L661.H} 7.17538 0.02431 0.04019 ++ {0.0} {} {L661.N} 116.52823 0.16625 0.29482 ++ {0.0} {} 0.0 28.5147 0 {} 0 0 0 124 {S629.H} 9.77000 0.03377 0.06702 ++ {0.0} {} {S629.N} 116.16519 0.16005 0.47548 ++ {0.0} {} 0.0 54.3088 0 {} 0 0 0 125 {N515.H} 8.09241 0.03379 0.02674 ++ {0.0} {} {N515.N} 116.03900 0.29816 0.23823 ++ {0.0} {} 0.0 8.0395 0 {} 0 0 0 126 {N650.H} 6.80733 0.02757 0.05794 ++ {0.0} {} {N650.N} 116.01636 0.15026 0.46506 ++ {0.0} {} 0.0 53.9619 0 {} 0 0 0 127 {N618.H} 8.64447 0.02852 0.06002 ++ {0.0} {} {N618.N} 115.72792 0.18811 0.37738 ++ {0.0} {} 0.0 38.6016 0 {} 0 0 0 128 {N544.H} 7.90891 0.02822 0.04171 ++ {0.0} {} {N544.N} 115.75834 0.24186 0.34035 ++ {0.0} {} 0.0 19.7001 0 {} 0 0 0 129 {S671.H} 8.19487 0.02773 0.05620 ++ {0.0} {} {S671.N} 115.20422 0.27895 0.52754 ++ {0.0} {} 0.0 63.3201 0 {} 0 0 0 130 {Q647.H} 8.58385 0.04015 0.07313 ++ {0.0} {} {Q647.N} 115.56458 0.13668 0.32077 ++ {0.0} {} 0.0 36.7594 0 {} 0 0 0 131 {T485.H} 8.35435 0.02665 0.04902 ++ {0.0} {} {T485.N} 115.35175 0.15907 0.36539 ++ {0.0} {} 0.0 35.8002 0 {} 0 0 0 132 {Y636.H} 8.06024 0.02120 0.05079 ++ {0.0} {} {Y636.N} 115.75888 0.17351 0.40330 ++ {0.0} {} 0.0 59.5775 0 {} 0 0 0 133 {K477.H} 8.73709 0.03488 0.05319 ++ {0.0} {} {K477.N} 115.44131 0.19303 0.28545 ++ {0.0} {} 0.0 18.1833 0 {} 0 0 0 134 {Y620.H} 7.50152 0.02751 0.05789 ++ {0.0} {} {Y620.N} 115.31821 0.14161 0.43128 ++ {0.0} {} 0.0 79.1520 0 {} 0 0 0 135 {Q648.H} 7.62286 0.02569 0.06773 ++ {0.0} {} {Q648.N} 115.26022 0.18838 0.57160 ++ {0.0} {} 0.0 57.5473 0 {} 0 0 0 136 {S566.H} 7.64131 0.02670 0.04729 ++ {0.0} {} {S566.N} 114.98150 0.17566 0.40087 ++ {0.0} {} 0.0 30.0380 0 {} 0 0 0 137 {W610.H} 6.10420 0.03441 0.04101 ++ {0.0} {} {W610.N} 114.83339 0.21279 0.26816 ++ {0.0} {} 0.0 12.6599 0 {} 0 0 0 138 {L635.H} 9.56703 0.02278 0.05538 ++ {0.0} {} {L635.N} 114.87298 0.15833 0.34048 ++ {0.0} {} 0.0 72.2669 0 {} 0 0 0 139 {S593.H} 8.75392 0.02272 0.05055 ++ {0.0} {} {S593.N} 114.80788 0.15873 0.45105 ++ {0.0} {} 0.0 52.9959 0 {} 0 0 0 140 {S637.H} 9.28783 0.02382 0.04821 ++ {0.0} {} {S637.N} 114.40125 0.15711 0.32541 ++ {0.0} {} 0.0 48.1511 0 {} 0 0 0 141 {N590.H} 8.31788 0.02655 0.05164 ++ {0.0} {} {N590.N} 113.95778 0.22738 0.45129 ++ {0.0} {} 0.0 32.1814 0 {} 0 0 0 142 {D478.H} 6.79407 0.03020 0.03531 ++ {0.0} {} {D478.N} 113.87177 0.22100 0.26269 ++ {0.0} {} 0.0 12.7945 0 {} 0 0 0 143 {Q540.H} 9.07607 0.02778 0.04439 ++ {0.0} {} {Q540.N} 113.15289 0.16826 0.34776 ++ {0.0} {} 0.0 24.2122 0 {} 0 0 0 144 {S644.H} 8.73673 0.02571 0.05162 ++ {0.0} {} {S644.N} 113.40629 0.21901 0.55502 ++ {0.0} {} 0.0 66.8198 0 {} 0 0 0 145 {S612.H} 8.93374 0.03079 0.05502 ++ {0.0} {} {S612.N} 113.15090 0.15259 0.30283 ++ {0.0} {} 0.0 56.3234 0 {} 0 0 0 146 {T564.H} 8.18554 0.02522 0.04114 ++ {0.0} {} {T564.N} 113.02150 0.20192 0.36953 ++ {0.0} {} 0.0 30.1256 0 {} 0 0 0 147 {M587.H} 7.16960 0.02550 0.05557 ++ {0.0} {} {M587.N} 112.27568 0.19303 0.49015 ++ {0.0} {} 0.0 67.2463 0 {} 0 0 0 148 {S483.H} 7.52511 0.03127 0.04333 ++ {0.0} {} {S483.N} 112.05015 0.26532 0.37024 ++ {0.0} {} 0.0 16.1700 0 {} 0 0 0 149 {T579.H} 8.63561 0.02446 0.06116 ++ {0.0} {} {T579.N} 111.91570 0.12262 0.46552 ++ {0.0} {} 0.0 91.2589 0 {} 0 0 0 150 {S604.H} 8.19451 0.03102 0.03642 ++ {0.0} {} {S604.N} 111.82097 0.26418 0.29742 ++ {0.0} {} 0.0 12.2789 0 {} 0 0 0 151 {F634.H} 8.70105 0.02886 0.05573 ++ {0.0} {} {F634.N} 111.85783 0.13568 0.31820 ++ {0.0} {} 0.0 45.7030 0 {} 0 0 0 152 {F601.H} 7.75593 0.02651 0.04927 ++ {0.0} {} {F601.N} 111.38747 0.17212 0.33623 ++ {0.0} {} 0.0 38.6574 0 {} 0 0 0 153 {V592.H} 8.60941 0.02175 0.05160 ++ {0.0} {} {V592.N} 111.20872 0.12085 0.45635 ++ {0.0} {} 0.0 93.3604 0 {} 0 0 0 154 {G600.H} 8.28012 0.01800 0.03646 ++ {0.0} {} {G600.N} 111.17960 0.18681 0.36460 ++ {0.0} {} 0.0 41.4531 0 {} 0 0 0 155 {S527.H} 8.07443 0.03000 0.03017 ++ {0.0} {} {S527.N} 110.95270 0.29553 0.29714 ++ {0.0} {} 0.0 10.0618 0 {} 0 0 0 156 {G570.H} 8.38630 0.02566 0.04388 ++ {0.0} {} {G570.N} 110.81726 0.22734 0.42235 ++ {0.0} {} 0.0 29.5693 0 {} 0 0 0 157 {G675.H} 8.27155 0.01812 0.04891 ++ {0.0} {} {G675.N} 109.31213 0.16469 0.58145 ++ {0.0} {} 0.0 152.3505 0 {} 0 0 0 158 {G465.H} 8.17962 0.02589 0.04475 ++ {0.0} {} {G465.N} 109.17943 0.16324 0.41195 ++ {0.0} {} 0.0 26.7027 0 {} 0 0 0 159 {H664.H} 8.43917 0.03089 0.03537 ++ {0.0} {} {H664.N} 108.68024 0.17811 0.22711 ++ {0.0} {} 0.0 11.8771 0 {} 0 0 0 160 {G466.H} 7.80328 0.02923 0.01510 ++ {0.0} {} {G466.N} 108.22093 0.15373 0.06824 ++ {0.0} {} 0.0 6.4262 0 {} 0 0 0 161 {T588.H} 7.05419 0.02620 0.05533 ++ {0.0} {} {T588.N} 107.80208 0.13973 0.43617 ++ {0.0} {} 0.0 58.6134 0 {} 0 0 0 162 {G631.H} 7.67568 0.02023 0.05235 ++ {0.0} {} {G631.N} 107.54619 0.14959 0.43850 ++ {0.0} {} 0.0 71.2977 0 {} 0 0 0 163 {G545.H} 7.69696 0.02772 0.04205 ++ {0.0} {} {G545.N} 107.00130 0.16594 0.29117 ++ {0.0} {} 0.0 20.4159 0 {} 0 0 0 164 {T479.H} 7.07900 0.02955 0.02633 ++ {0.0} {} {T479.N} 104.64157 0.18507 0.16084 ++ {0.0} {} 0.0 9.0017 0 {} 0 0 0 165 {G649.H} 7.48438 0.02214 0.05444 ++ {0.0} {} {G649.N} 104.85102 0.18610 0.44018 ++ {0.0} {} 0.0 56.6359 0 {} 0 0 0 166 {G614.H} 8.64561 0.02067 0.04465 ++ {0.0} {} {G614.N} 103.69493 0.16340 0.39539 ++ {0.0} {} 0.0 72.2687 0 {} 0 0 0 167 {G510.H} 8.97175 0.02376 0.03911 ++ {0.0} {} {G510.N} 102.06239 0.16728 0.28746 ++ {0.0} {} 0.0 28.3953 0 {} 0 0 0 168 {S468.H} 8.08341 0.04009 0.04180 ++ {0.0} {} {S468.N} 114.25079 0.26696 0.27580 ++ {0.0} {} 0.0 4.2968 0 {} 0 0 0 169 {F633.H} 8.65576 0.02852 0.07694 ++ {0.0} {} {F633.N} 115.59599 0.18811 0.50160 ++ {0.0} {} 0.0 38.6016 0 {} 0 0 0 170 {N663.H} 8.98201 0.03727 0.02881 ++ {0.0} {} {N663.N} 121.56627 0.19379 0.28126 ++ {0.0} {} 0.0 3.0546 0 {} 0 0 0 171 {Y578.H} 9.28587 0.02526 0.07201 ++ {0.0} {} {Y578.N} 124.53115 0.13942 0.64295 ++ {0.0} {} 0.0 82.0009 0 {} 0 0 0 172 {H662.H} 9.27873 0.03127 0.05781 ++ {0.0} {} {H662.N} 125.21728 0.26822 0.43947 ++ {0.0} {} 0.0 12.8766 0 {} 0 0 0 173 {C654.H} 8.67592 0.03234 0.05752 ++ {0.0} {} {C654.N} 125.97787 0.21430 0.39996 ++ {0.0} {} 0.0 19.6467 0 {} 0 0 0 174 {Q524.H} 8.77151 0.02534 0.05273 ++ {0.0} {} {Q524.H} 123.04612 0.23680 0.45710 ++ {0.0} {} 0.0 24.1335 0 {} 0 0 0 175 {H539.H} 8.92471 0.04130 0.03906 ++ {0.0} {} {H539.N} 123.27820 0.36071 0.33620 ++ {0.0} {} 0.0 3.0965 0 {} 0 0 0 176 {H514.H} 8.75231 0.03329 0.02582 ++ {0.0} {} {H514.N} 118.03606 0.30788 0.23220 ++ {0.0} {} 0.0 4.0159 0 {} 0 0 0 177 {T518.H} 8.59427 0.02287 0.05089 ++ {0.0} {} {T518.N} 121.74004 0.25596 0.66120 ++ {0.0} {} 0.0 21.4284 0 {} 0 0 0 178 {E462.H} 8.46521 0.02721 0.04668 ++ {0.0} {} {E462.N} 119.58562 0.19706 0.43160 ++ {0.0} {} 0.0 81.1261 0 {} 0 0 0 179 {V598.H} 8.26769 0.02005 0.03628 ++ {0.0} {} {V598.N} 127.23742 0.12454 0.25596 ++ {0.0} {} 0.0 91.4695 0 {} 0 0 0 180 {R484.H} 7.74812 0.02502 0.03927 ++ {0.0} {} {R484.N} 122.69505 0.18643 0.29663 ++ {0.0} {} 0.0 116.3260 0 {} 0 0 0 181 {T528.H} 7.05950 0.05758 0.06040 ++ {0.0} {} {T528.N} 108.87343 0.38209 0.40280 ++ {0.0} {} 0.0 1.4225 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 Proton . 'not observed' . ppm . . . . . . 53625 1 2 . . N 15 Nitrogen . 'not observed' . ppm . . . . . . 53625 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 53625 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 53625 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name C_Fc_EEM_G0 _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 '2D 1H-13C 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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 1H 13C s25r001-11_Chsqc_DG2-274.nv 2811.97680664 4238.30175781 700.132995605 176.050994873 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U 13C.L 13C.P 13C.W 13C.B 13C.E 13C.J 13C.U vol int stat comment flag0 flag8 flag9 0 {A660.HB1} 1.64003 0.04692 0.02861 ++ {0.0} {} {A660.CB} 19.20034 0.50620 0.40894 ++ {0.0} {} 0.0 7.0436 0 {} 0 0 0 1 {T588.HG21} 1.27692 0.03434 0.01527 ++ {0.0} {} {T588.CG2} 21.55033 0.40727 0.26296 ++ {0.0} {} 0.0 6.4300 0 {} 0 0 0 2 {V531.HG11} 1.21454 0.03718 0.07965 ++ {0.0} {} {V531.CG1} 22.54481 0.09960 0.24302 ++ {0.0} {} 0.0 50.5073 0 {} 0 0 0 3 {L670.HD11} 1.11189 0.04124 0.06917 ++ {0.0} {} {L670.CD1} 24.74135 0.16399 0.27265 ++ {0.0} {} 0.0 35.6864 0 {} 0 0 0 4 {L670.HD21} 1.12058 0.02717 0.06448 ++ {0.0} {} {L670.CD2} 26.49713 0.09112 0.23871 ++ {0.0} {} 0.0 90.2452 0 {} 0 0 0 5 {I565.HD11} 1.07412 0.03559 0.07175 ++ {0.0} {} {I565.CD1} 14.86434 0.07907 0.23370 ++ {0.0} {} 0.0 76.5008 0 {} 0 0 0 6 {L471.HD21} 0.98465 0.03272 0.09033 ++ {0.0} {} {L471.CD2} 24.98923 0.09565 0.22198 ++ {0.0} {} 0.0 183.3565 0 {} 0 0 0 7 {V491.HG11} 1.09400 0.03660 0.08562 ++ {0.0} {} {V491.CG1} 22.38225 0.16578 0.31359 ++ {0.0} {} 0.0 39.8126 0 {} 0 0 0 8 {V511.HG11} 1.02275 0.04879 0.04583 ++ {0.0} {} {V511.CG1} 21.08199 0.15414 0.14790 ++ {0.0} {} 0.0 9.5090 0 {} 0 0 0 9 {T536.HG21} 1.04073 0.05118 0.18376 ++ {0.0} {} {T536.CG2} 21.70227 0.14069 0.22111 ++ {0.0} {} 0.0 43.6604 0 {} 0 0 0 10 {T666.HG21} 0.97421 0.06205 0.01283 ++ {0.0} {} {T666.CG2} 19.63786 0.19749 0.05918 ++ {0.0} {} 0.0 5.6246 0 {} 0 0 0 11 {L580.HD11} 0.96448 0.03305 0.08202 ++ {0.0} {} {L580.CD1} 26.85848 0.07106 0.20127 ++ {0.0} {} 0.0 126.9544 0 {} 0 0 0 12 {L538.HD11} 0.95941 0.03054 0.08562 ++ {0.0} {} {L538.CD1} 23.82178 0.19381 0.45103 ++ {0.0} {} 0.0 207.4971 0 {} 0 0 0 13 {L464.HD11} 0.91528 0.05119 0.17851 ++ {0.0} {} {L463.CD1} 25.16854 0.14789 0.88402 ++ {0.0} {} 0.0 239.1225 0 {} 0 0 0 14 {V492.HG11} 0.95427 0.03904 0.08644 ++ {0.0} {} {V492.CG1} 23.49676 0.12726 0.24056 ++ {0.0} {} 0.0 123.1249 0 {} 0 0 0 15 {V511.HG21} 0.97747 0.04428 0.11987 ++ {0.0} {} {V511.CG2} 21.77031 0.09682 0.25539 ++ {0.0} {} 0.0 222.0678 0 {} 0 0 0 16 {L463.HD21} 0.85687 0.03975 0.09617 ++ {0.0} {} {L463.CD2} 23.88462 0.22551 0.32216 ++ {0.0} {} 0.0 149.6751 0 {} 0 0 0 17 {L661.HD21} 0.95518 0.03957 0.11987 ++ {0.0} {} {L661.CD2} 23.39529 0.16865 0.28964 ++ {0.0} {} 0.0 85.5536 0 {} 0 0 0 18 {L464.HD21} 0.86096 0.04447 0.11987 ++ {0.0} {} {L464.CD2} 23.62662 0.12227 0.25383 ++ {0.0} {} 0.0 194.3369 0 {} 0 0 0 19 {L543.HD21} 0.87246 0.03101 0.14488 ++ {0.0} {} {L543.CD2} 22.37557 0.12153 0.22402 ++ {0.0} {} 0.0 204.9551 0 {} 0 0 0 20 {L471.HD11} 0.81103 0.04949 0.08839 ++ {0.0} {} {L471.CD1} 27.76817 0.16357 0.23626 ++ {0.0} {} 0.0 29.6506 0 {} 0 0 0 21 {L543.HD11} 0.84473 0.04060 0.06957 ++ {0.0} {} {L543.CD1} 25.51016 0.12204 0.21822 ++ {0.0} {} 0.0 28.5366 0 {} 0 0 0 22 {V626.HG11} 0.85180 0.04332 0.12307 ++ {0.0} {} {V626.CG1} 22.00333 0.13322 0.30154 ++ {0.0} {} 0.0 182.5475 0 {} 0 0 0 23 {L635.HD21} 0.81952 0.03377 0.08329 ++ {0.0} {} {L635.CD2} 28.06204 0.08517 0.22999 ++ {0.0} {} 0.0 149.2362 0 {} 0 0 0 24 {V534.HG21} 0.80641 0.03973 0.10091 ++ {0.0} {} {V534.CG2} 21.10968 0.13389 0.24634 ++ {0.0} {} 0.0 102.3286 0 {} 0 0 0 25 {A516.HB1} 0.80866 0.05877 0.06880 ++ {0.0} {} {A516.CB} 20.51290 0.17657 0.19391 ++ {0.0} {} 0.0 11.4579 0 {} 0 0 0 26 {I561.HD11} 0.80857 0.03531 0.07235 ++ {0.0} {} {I561.CD1} 14.09391 0.15372 0.34969 ++ {0.0} {} 0.0 48.3795 0 {} 0 0 0 27 {V513.HG11} 0.77731 0.04455 0.07970 ++ {0.0} {} {V513.CG1} 19.81433 0.14323 0.23191 ++ {0.0} {} 0.0 32.1356 0 {} 0 0 0 28 {V469.HG11} 0.73362 0.04265 0.06685 ++ {0.0} {} {V469.CG1} 22.74534 0.18501 0.30406 ++ {0.0} {} 0.0 28.1161 0 {} 0 0 0 29 {V608.HG21} 0.76955 0.04317 0.12088 ++ {0.0} {} {V608.CG2} 22.24636 0.11504 0.23163 ++ {0.0} {} 0.0 202.2609 0 {} 0 0 0 30 {I561.HG21} 0.75117 0.05273 0.05702 ++ {0.0} {} {I561.CG2} 17.94664 0.29068 0.32395 ++ {0.0} {} 0.0 11.0402 0 {} 0 0 0 31 {L672.HD21} 0.73596 0.02954 0.08632 ++ {0.0} {} {L672.CD2} 24.13451 0.09898 0.22138 ++ {0.0} {} 0.0 373.0201 0 {} 0 0 0 32 {L627.HD11} 0.69643 0.02687 0.09127 ++ {0.0} {} {L627.CD1} 25.90859 0.09759 0.21876 ++ {0.0} {} 0.0 217.0400 0 {} 0 0 0 33 {V651.HG11} 0.97779 0.04083 0.08901 ++ {0.0} {} {V651.CG2} 21.51141 0.14305 0.37710 ++ {0.0} {} 0.0 45.3283 0 {} 0 0 0 34 {L635.HD11} 0.71607 0.03514 0.09701 ++ {0.0} {} {L635.CD1} 23.92512 0.09550 0.21724 ++ {0.0} {} 0.0 179.7163 0 {} 0 0 0 35 {L597.HD21} 0.66580 0.04276 0.11737 ++ {0.0} {} {L597.CD2} 25.35919 0.13689 0.22822 ++ {0.0} {} 0.0 106.8593 0 {} 0 0 0 36 {L661.HD11} 0.66280 0.03288 0.05828 ++ {0.0} {} {L661.CD1} 27.31226 0.11950 0.18448 ++ {0.0} {} 0.0 22.6138 0 {} 0 0 0 37 {L672.HD11} 0.66617 0.03827 0.08721 ++ {0.0} {} {L672.CD1} 25.53188 0.07279 0.22892 ++ {0.0} {} 0.0 343.1174 0 {} 0 0 0 38 {I482.HD11} 0.61774 0.03828 0.08266 ++ {0.0} {} {I482.CD1} 13.02077 0.08815 0.21960 ++ {0.0} {} 0.0 139.5825 0 {} 0 0 0 39 {V656.HG11} 0.56461 0.04200 0.10030 ++ {0.0} {} {V656.CG1} 22.86756 0.15713 0.25417 ++ {0.0} {} 0.0 115.1665 0 {} 0 0 0 40 {V552.HG21} 0.57354 0.04710 0.09926 ++ {0.0} {} {V552.CG2} 22.45010 0.08985 0.16412 ++ {0.0} {} 0.0 52.1159 0 {} 0 0 0 41 {V534.HG11} 0.66803 0.04389 0.11987 ++ {0.0} {} {V534.CG1} 21.82185 0.08438 0.20049 ++ {0.0} {} 0.0 332.0548 0 {} 0 0 0 42 {V577.HG11} 0.50209 0.01889 0.02788 ++ {0.0} {} {V577.CG1} 21.51223 0.04933 0.07280 ++ {0.0} {} 0.0 19.0722 0 {} 0 0 0 43 {V577.HG21} 0.49972 0.03623 0.08589 ++ {0.0} {} {V577.CG2} 21.05658 0.07352 0.17710 ++ {0.0} {} 0.0 130.1865 0 {} 0 0 0 44 {V608.HG21} 0.56120 0.04463 0.06403 ++ {0.0} {} {V608.CG2} 20.87821 0.09723 0.16857 ++ {0.0} {} 0.0 24.8214 0 {} 0 0 0 45 {I606.HG21} 0.57722 0.04267 0.03176 ++ {0.0} {} {I606.CG2} 15.80484 0.31150 0.25222 ++ {0.0} {} 0.0 8.1853 0 {} 0 0 0 46 {V508.HG11} 0.53052 0.04123 0.07398 ++ {0.0} {} {V508.CG1} 20.51072 0.15704 0.23476 ++ {0.0} {} 0.0 37.6952 0 {} 0 0 0 47 {V592.HG11} 0.51244 0.03940 0.09566 ++ {0.0} {} {V592.CG1} 21.57708 0.07889 0.20569 ++ {0.0} {} 0.0 158.8486 0 {} 0 0 0 48 {L535.HD11} 0.45712 0.03238 0.05499 ++ {0.0} {} {L535.CD1} 26.47722 0.10116 0.16590 ++ {0.0} {} 0.0 19.7301 0 {} 0 0 0 49 {L480.HD21} 0.41601 0.04529 0.06418 ++ {0.0} {} {L480.CD2} 25.12341 0.10665 0.16217 ++ {0.0} {} 0.0 18.9743 0 {} 0 0 0 50 {V598.HG21} 0.58045 0.04234 0.11086 ++ {0.0} {} {V598.CG2} 21.88623 0.08317 0.21448 ++ {0.0} {} 0.0 329.2691 0 {} 0 0 0 51 {V552.HG11} 0.35924 0.03941 0.07732 ++ {0.0} {} {V552.CG1} 20.62712 0.09304 0.22384 ++ {0.0} {} 0.0 41.0038 0 {} 0 0 0 52 {V502.HG11} 0.36309 0.03812 0.08435 ++ {0.0} {} {V502.CG1} 23.00463 0.11372 0.21753 ++ {0.0} {} 0.0 53.1351 0 {} 0 0 0 53 {V641.HG11} 0.25730 0.03323 0.11936 ++ {0.0} {} {V641.CG1} 19.67663 0.08570 0.22444 ++ {0.0} {} 0.0 279.1941 0 {} 0 0 0 54 {L535.HD21} 0.27447 0.04859 0.13991 ++ {0.0} {} {L535.CD2} 23.07676 0.07347 0.23283 ++ {0.0} {} 0.0 169.9771 0 {} 0 0 0 55 {V537.HG11} 0.23785 0.04639 0.08324 ++ {0.0} {} {V537.CG1} 19.34427 0.15755 0.22037 ++ {0.0} {} 0.0 49.4671 0 {} 0 0 0 56 {L597.HD11} 0.14247 0.04087 0.09546 ++ {0.0} {} {L597.CD1} 21.08067 0.10240 0.21881 ++ {0.0} {} 0.0 131.2808 0 {} 0 0 0 57 {V592.HG21} 0.13507 0.04142 0.10444 ++ {0.0} {} {V592.CG2} 17.79646 0.07678 0.20443 ++ {0.0} {} 0.0 200.8882 0 {} 0 0 0 58 {L594.HD21} -0.05954 0.04063 0.10016 ++ {0.0} {} {L594.CD2} 25.11216 0.08289 0.23498 ++ {0.0} {} 0.0 226.8006 0 {} 0 0 0 59 {L594.HD11} -0.13541 0.03721 0.09473 ++ {0.0} {} {L594.CD1} 24.00010 0.11697 0.41713 ++ {0.0} {} 0.0 227.2365 0 {} 0 0 0 60 {I606.HD11} -0.60739 0.04077 0.09196 ++ {0.0} {} {I606.CD1} 13.20735 0.10455 0.22292 ++ {0.0} {} 0.0 105.4390 0 {} 0 0 0 61 {I565.HG21} 1.13291 0.04749 0.06810 ++ {0.0} {} {I565.CG2} 17.93048 0.31470 0.48382 ++ {0.0} {} 0.0 4.3864 0 {} 0 0 0 62 {V656.HG21} 0.45515 0.03972 0.05878 ++ {0.0} {} {V656.CG2} 22.20201 0.06674 0.09541 ++ {0.0} {} 0.0 163.2579 0 {} 0 0 0 63 {V537.HG21} 0.42664 0.03881 0.04080 ++ {0.0} {} {V537.CG1} 23.47433 0.07959 0.08349 ++ {0.0} {} 0.0 97.9305 0 {} 0 0 0 64 {V598.HG11} 0.55700 0.03881 0.04080 ++ {0.0} {} {V598.CG1} 23.55521 0.07959 0.08349 ++ {0.0} {} 0.0 97.9305 0 {} 0 0 0 65 {I482.HD21} 0.79953 0.05273 0.05702 ++ {0.0} {} {I482.CD2} 17.93914 0.29068 0.32395 ++ {0.0} {} 0.0 11.0402 0 {} 0 0 0 66 {V651.HG21} 0.90592 0.04710 0.05668 ++ {0.0} {} {V651.CG1} 21.53877 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0 67 {T564.HG21} 1.00124 0.04710 0.05668 ++ {0.0} {} {T564.CG2} 21.45953 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0 68 {V626.HG21} 0.83991 0.04710 0.05668 ++ {0.0} {} {V626.CG2} 22.11143 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0 69 {V508.HG21} 0.96529 0.04710 0.05668 ++ {0.0} {} {V508.CG2} 21.35863 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0 70 {V531.HG21} 0.98589 0.04710 0.05668 ++ {0.0} {} {V531.CG2} 21.26934 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0 71 {V469.HG11} 0.69282 0.04083 0.05942 ++ {0.0} {} {V469.CG1} 21.75070 0.14305 0.20386 ++ {0.0} {} 0.0 45.3283 0 {} 0 0 0 72 {V532.HG11} 1.03839 0.05011 0.06982 ++ {0.0} {} {V532.CG1} 21.97343 0.14069 0.18667 ++ {0.0} {} 0.0 43.6604 0 {} 0 0 0 73 {A607.HB1} 1.32317 0.04946 0.04161 ++ {0.0} {} {A607.CB} 22.00985 0.54703 0.49428 ++ {0.0} {} 0.0 6.6121 0 {} 0 0 0 74 {V513.HG21} 0.97573 0.03183 0.07386 ++ {0.0} {} {V513.CG2} 21.59949 0.09682 0.22325 ++ {0.0} {} 0.0 222.0680 0 {} 0 0 0 75 {L480.HD11} 0.10662 0.04087 0.07759 ++ {0.0} {} {L48.CD1} 20.76982 0.08771 0.20096 ++ {0.0} {} 0.0 131.2810 0 {} 0 0 0 76 {L627.HD21} 0.21670 0.03812 0.06102 ++ {0.0} {} {L627.CD2} 23.00603 0.10704 0.18048 ++ {0.0} {} 0.0 53.1351 0 {} 0 0 0 77 {L639.HD11} 0.45456 0.03881 0.05968 ++ {0.0} {} {L639.CD1} 23.54540 0.07959 0.12043 ++ {0.0} {} 0.0 97.9305 0 {} 0 0 0 78 {T579.HG21} 0.94875 0.03957 0.04450 ++ {0.0} {} {T579.CG2} 23.23119 0.16865 0.18315 ++ {0.0} {} 0.0 85.5536 0 {} 0 0 0 79 {V488.HG11} 0.89414 0.03957 0.04450 ++ {0.0} {} {V488.CG1} 23.09757 0.16865 0.18315 ++ {0.0} {} 0.0 85.5536 0 {} 0 0 0 80 {L538.HD21} 1.02462 0.03272 0.05686 ++ {0.0} {} {L538.CD1} 24.93345 0.09565 0.17251 ++ {0.0} {} 0.0 183.3560 0 {} 0 0 0 81 {V488.HG21} 0.45850 0.03972 0.06384 ++ {0.0} {} {V488.CG2} 22.08135 0.06674 0.10302 ++ {0.0} {} 0.0 163.2580 0 {} 0 0 0 82 {A568.HB1} 1.45901 0.05055 0.04902 ++ {0.0} {} {A568.CB} 19.26295 0.52953 0.51505 ++ {0.0} {} 0.0 4.9338 0 {} 0 0 0 83 {L463.HD11} 0.91947 0.04060 0.03759 ++ {0.0} {} {L463.CD1} 25.40611 0.12204 0.11357 ++ {0.0} {} 0.0 28.5366 0 {} 0 0 0 84 {V491.HG21} 1.00867 0.07628 0.10897 ++ {0.0} {} {V491.CG2} 21.31830 0.34395 0.18522 ++ {0.0} {} 0.0 23.8916 0 {} 0 0 0 85 {V492.HG21} 0.96883 0.03660 0.01792 ++ {0.0} {} {V492.CG2} 21.99310 0.16578 0.10117 ++ {0.0} {} 0.0 39.8126 0 {} 0 0 0 86 {L580.HD21} 0.98768 0.03054 0.08363 ++ {0.0} {} {L580.CD2} 23.69277 0.19381 0.34286 ++ {0.0} {} 0.0 207.4970 0 {} 0 0 0 87 {V502.HG21} 0.81115 0.03101 0.06672 ++ {0.0} {} {V502.CD2} 22.46157 0.12153 0.19904 ++ {0.0} {} 0.0 204.9550 0 {} 0 0 0 88 {V532.HG21} 0.84570 0.04083 0.03875 ++ {0.0} {} {V532.CG2} 22.18390 0.14305 0.13620 ++ {0.0} {} 0.0 45.3283 0 {} 0 0 0 89 {L639.HD11} 0.05680 0.04257 0.05340 ++ {0.0} {} {L639.CD1} 26.94534 0.07102 0.09376 ++ {0.0} {} 0.0 70.1462 0 {} 0 0 0 90 {V641.HG21} 0.41614 0.04234 0.06625 ++ {0.0} {} {V641.CG1} 21.79003 0.08317 0.15129 ++ {0.0} {} 0.0 329.2690 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 Proton . 'not observed' . ppm . . . . . . 53625 2 2 . . N 15 Nitrogen . 'not observed' . ppm . . . . . . 53625 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 53625 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 53625 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name Fc_EEM_G1_6 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _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 7 _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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf HN 15N s25r001-10_trosy_DG2-274.nv 4204.64404297 2837.68408203 700.132995605 70.952003479 HN.L HN.P HN.W HN.B HN.E HN.J HN.U 15N.L 15N.P 15N.W 15N.B 15N.E 15N.J 15N.U vol int stat comment flag0 flag8 flag9 0 {L639.H} 9.14723 0.02779 0.05636 ++ {0.0} {} {L639.N} 134.04962 0.12316 0.34549 ++ {0.0} {} 0.0 57.2038 0 {} 0 0 0 1 {D509.H} 9.86078 0.02726 0.04590 ++ {0.0} {} {D509.N} 131.47211 0.13794 0.29100 ++ {0.0} {} 0.0 27.4212 0 {} 0 0 0 2 {K638.H} 9.46084 0.02584 0.03917 ++ {0.0} {} {K638.N} 131.19472 0.16694 0.29463 ++ {0.0} {} 0.0 21.7072 0 {} 0 0 0 3 {L597.H} 9.35315 0.02142 0.04945 ++ {0.0} {} {L597.N} 131.36304 0.10724 0.32386 ++ {0.0} {} 0.0 79.2329 0 {} 0 0 0 4 {C490.H} 9.93480 0.02955 0.04222 ++ {0.0} {} {C490.N} 130.01353 0.18964 0.29896 ++ {0.0} {} 0.0 17.3734 0 {} 0 0 0 5 {L535.H} 8.43398 0.02733 0.04482 ++ {0.0} {} {L535.N} 129.64120 0.16171 0.29789 ++ {0.0} {} 0.0 26.0978 0 {} 0 0 0 6 {E512.H} 8.80036 0.02149 0.04242 ++ {0.0} {} {E512.N} 129.25258 0.13148 0.31661 ++ {0.0} {} 0.0 38.5063 0 {} 0 0 0 7 {C596.H} 9.71554 0.02664 0.05422 ++ {0.0} {} {C596.N} 128.70462 0.15724 0.30856 ++ {0.0} {} 0.0 59.4315 0 {} 0 0 0 8 {D628.H} 9.53837 0.01979 0.03829 ++ {0.0} {} {D628.N} 128.79785 0.12013 0.31867 ++ {0.0} {} 0.0 54.7882 0 {} 0 0 0 9 {A568.H} 8.56093 0.02430 0.03850 ++ {0.0} {} {A568.N} 128.60786 0.18478 0.33555 ++ {0.0} {} 0.0 24.6933 0 {} 0 0 0 10 {L594.H} 9.21776 0.02240 0.05655 ++ {0.0} {} {L594.N} 128.57010 0.13073 0.34334 ++ {0.0} {} 0.0 65.0399 0 {} 0 0 0 11 {F652.H} 8.98888 0.02185 0.05079 ++ {0.0} {} {F652.N} 128.30769 0.14509 0.36293 ++ {0.0} {} 0.0 59.5688 0 {} 0 0 0 12 {K551.H} 9.03037 0.02966 0.04916 ++ {0.0} {} {K551.N} 128.36464 0.14681 0.28304 ++ {0.0} {} 0.0 22.4856 0 {} 0 0 0 13 {K519.H} 8.68134 0.03082 0.03479 ++ {0.0} {} {K519.N} 128.26846 0.16295 0.18867 ++ {0.0} {} 0.0 11.5166 0 {} 0 0 0 14 {V552.H} 9.13280 0.02650 0.04181 ++ {0.0} {} {V552.N} 128.31969 0.15291 0.27061 ++ {0.0} {} 0.0 19.7709 0 {} 0 0 0 15 {L627.H} 8.27472 0.02005 0.05132 ++ {0.0} {} {L627.N} 127.91715 0.12454 0.32182 ++ {0.0} {} 0.0 91.4695 0 {} 0 0 0 16 {R584.H} 8.94976 0.02544 0.05476 ++ {0.0} {} {R584.N} 127.39537 0.15817 0.49564 ++ {0.0} {} 0.0 75.6704 0 {} 0 0 0 17 {K643.H} 8.66722 0.02206 0.05223 ++ {0.0} {} {K643.N} 127.12584 0.13957 0.40048 ++ {0.0} {} 0.0 86.6778 0 {} 0 0 0 18 {V492.H} 9.24899 0.02867 0.03834 ++ {0.0} {} {V492.N} 126.92545 0.16818 0.24151 ++ {0.0} {} 0.0 15.4133 0 {} 0 0 0 19 {Y548.H} 9.07476 0.02317 0.03502 ++ {0.0} {} {Y548.N} 127.00639 0.15801 0.27202 ++ {0.0} {} 0.0 19.1031 0 {} 0 0 0 20 {V491.H} 9.46819 0.02682 0.04406 ++ {0.0} {} {V491.N} 126.73635 0.14770 0.28800 ++ {0.0} {} 0.0 26.5518 0 {} 0 0 0 21 {V532.H} 8.36217 0.03246 0.04413 ++ {0.0} {} {V532.N} 126.69684 0.15611 0.21716 ++ {0.0} {} 0.0 13.6938 0 {} 0 0 0 22 {E659.H} 8.62838 0.03234 0.04772 ++ {0.0} {} {E659.N} 126.40539 0.21430 0.31575 ++ {0.0} {} 0.0 19.6467 0 {} 0 0 0 23 {N613.H} 9.33134 0.02179 0.03695 ++ {0.0} {} {N613.N} 126.22657 0.30074 0.42963 ++ {0.0} {} 0.0 22.2388 0 {} 0 0 0 24 {E523.H} 8.98114 0.02615 0.03193 ++ {0.0} {} {E523.N} 126.21961 0.25098 0.30661 ++ {0.0} {} 0.0 12.9451 0 {} 0 0 0 25 {A607.H} 8.14676 0.02358 0.03982 ++ {0.0} {} {A607.N} 126.49101 0.20287 0.31047 ++ {0.0} {} 0.0 25.8989 0 {} 0 0 0 26 {V626.H} 9.18481 0.02573 0.04246 ++ {0.0} {} {V626.N} 126.17526 0.18552 0.27044 ++ {0.0} {} 0.0 22.6767 0 {} 0 0 0 27 {K503.H} 8.21574 0.03352 0.06071 ++ {0.0} {} {K503.N} 126.16791 0.16942 0.29358 ++ {0.0} {} 0.0 24.1366 0 {} 0 0 0 28 {K676.H} 7.66449 0.01775 0.04115 ++ {0.0} {} {K676.N} 125.81020 0.14003 0.50711 ++ {0.0} {} 0.0 291.2917 0 {} 0 0 0 29 {V531.H} 9.16549 0.02013 0.04404 ++ {0.0} {} {V531.N} 125.63221 0.10965 0.28199 ++ {0.0} {} 0.0 47.6316 -1 {} 0 0 0 30 {A460.H} 8.19322 0.02477 0.04811 ++ {0.0} {} {A460.N} 125.52109 0.15050 0.33937 ++ {0.0} {} 0.0 47.9727 0 {} 0 0 0 31 {V534.H} 8.67020 0.02809 0.06114 ++ {0.0} {} {V534.N} 125.77132 0.20395 0.54119 ++ {0.0} {} 0.0 47.7980 0 {} 0 0 0 32 {V531.H} 9.28557 0.03127 0.03715 ++ {0.0} {} {V531.N} 125.48894 0.26822 0.31274 ++ {0.0} {} 0.0 12.8766 0 {} 0 0 0 33 {E609.H} 8.84123 0.02418 0.05126 ++ {0.0} {} {E609.N} 125.76234 0.20774 0.44130 ++ {0.0} {} 0.0 71.6285 0 {} 0 0 0 34 {C550.H} 8.64395 0.02844 0.04790 ++ {0.0} {} {C550.N} 125.38381 0.16380 0.33116 ++ {0.0} {} 0.0 21.2259 0 {} 0 0 0 35 {T640.H} 8.13901 0.04410 0.06299 ++ {0.0} {} {T640.N} 125.30555 0.13220 0.33093 ++ {0.0} {} 0.0 63.8317 0 {} 0 0 0 36 {F470.H} 9.38711 0.02899 0.04601 ++ {0.0} {} {F470.N} 125.12501 0.15494 0.26927 ++ {0.0} {} 0.0 21.4745 0 {} 0 0 0 37 {L672.H} 8.69619 0.02543 0.07339 ++ {0.0} {} {L672.N} 124.74640 0.13132 0.33953 ++ {0.0} {} 0.0 65.2806 0 {} 0 0 0 38 {K567.H} 8.65188 0.04315 0.06164 ++ {0.0} {} {K567.N} 124.80930 0.24097 0.29567 ++ {0.0} {} 0.0 13.5469 0 {} 0 0 0 39 {Y578.H} 9.28472 0.02526 0.05535 ++ {0.0} {} {Y578.N} 124.59601 0.13942 0.43469 ++ {0.0} {} 0.0 82.0009 0 {} 0 0 0 40 {L580.H} 9.45317 0.01417 0.01113 ++ {0.0} {} {L580.N} 123.98855 0.17525 0.05055 ++ {0.0} {} 0.0 5.8467 0 {} 0 0 0 41 {A660.H} 10.38760 0.03001 0.04204 ++ {0.0} {} {A660.N} 124.37799 0.22293 0.30714 ++ {0.0} {} 0.0 17.2518 0 {} 0 0 0 42 {L670.H} 9.47694 0.02842 0.07664 ++ {0.0} {} {L670.N} 123.95707 0.16087 0.44908 ++ {0.0} {} 0.0 74.5453 0 {} 0 0 0 43 {E574.H} 8.56779 0.02432 0.04425 ++ {0.0} {} {E574.N} 124.05596 0.17100 0.30930 ++ {0.0} {} 0.0 40.6824 0 {} 0 0 0 44 {E562.H} 8.39354 0.02649 0.04910 ++ {0.0} {} {E562.N} 123.70287 0.20830 0.37282 ++ {0.0} {} 0.0 34.8924 0 {} 0 0 0 45 {V511.H} 7.92726 0.02361 0.03972 ++ {0.0} {} {V511.N} 123.82868 0.20324 0.30881 ++ {0.0} {} 0.0 28.5726 0 {} 0 0 0 46 {K549.H} 9.37351 0.02502 0.04395 ++ {0.0} {} {K549.N} 123.68214 0.18006 0.29201 ++ {0.0} {} 0.0 22.8751 0 {} 0 0 0 47 {S655.H} 8.77068 0.02534 0.03890 ++ {0.0} {} {S655.N} 123.73141 0.23680 0.36992 ++ {0.0} {} 0.0 24.1335 0 {} 0 0 0 48 {A516.H} 8.01725 0.02785 0.03469 ++ {0.0} {} {A516.N} 123.58143 0.22189 0.27607 ++ {0.0} {} 0.0 13.0429 0 {} 0 0 0 49 {V656.H} 8.38207 0.02107 0.04408 ++ {0.0} {} {V656.N} 123.40012 0.14692 0.24778 ++ {0.0} {} 0.0 30.1073 0 {} 0 0 0 50 {L471.H} 8.06951 0.02730 0.07103 ++ {0.0} {} {L471.N} 123.01358 0.20765 0.52585 ++ {0.0} {} 0.0 54.9855 0 {} 0 0 0 51 {I606.H} 7.89876 0.02515 0.04672 ++ {0.0} {} {I606.N} 123.48045 0.17176 0.32011 ++ {0.0} {} 0.0 30.2199 0 {} 0 0 0 52 {E617.H} 8.12544 0.02622 0.04516 ++ {0.0} {} {E617.N} 123.17789 0.19131 0.31603 ++ {0.0} {} 0.0 28.3966 0 {} 0 0 0 53 {M657.H} 8.69662 0.02725 0.05088 ++ {0.0} {} {M657.N} 123.40974 0.21277 0.32395 ++ {0.0} {} 0.0 25.3446 0 {} 0 0 0 54 {D642.H} 8.43776 0.03390 0.04843 ++ {0.0} {} {D642.N} 123.37843 0.18909 0.46464 ++ {0.0} {} 0.0 59.8412 0 {} 0 0 0 55 {W506.H} 8.79862 0.02495 0.05313 ++ {0.0} {} {W506.N} 122.75436 0.19350 0.85433 ++ {0.0} {} 0.0 66.7781 0 {} 0 0 0 56 {K599.H} 9.29032 0.02495 0.05449 ++ {0.0} {} {K599.N} 122.73460 0.13223 0.40644 ++ {0.0} {} 0.0 45.4572 0 {} 0 0 0 57 {I482.H} 8.18106 0.02780 0.04617 ++ {0.0} {} {I482.N} 122.42363 0.25332 0.41640 ++ {0.0} {} 0.0 23.0673 0 {} 0 0 0 58 {L464.H} 8.02485 0.02996 0.06052 ++ {0.0} {} {L464.N} 123.09353 0.22111 0.47906 ++ {0.0} {} 0.0 28.8159 0 {} 0 0 0 59 {R521.H} 8.38895 0.02805 0.04861 ++ {0.0} {} {R521.N} 122.68113 0.23639 0.34785 ++ {0.0} {} 0.0 25.6605 0 {} 0 0 0 60 {V577.H} 7.76810 0.02502 0.07548 ++ {0.0} {} {V577.N} 122.43237 0.18643 0.48234 ++ {0.0} {} 0.0 116.3260 0 {} 0 0 0 61 {R573.H} 9.34932 0.02623 0.03697 ++ {0.0} {} {R573.N} 122.22070 0.21884 0.27606 ++ {0.0} {} 0.0 16.4367 0 {} 0 0 0 62 {E522.H} 8.76673 0.02293 0.03300 ++ {0.0} {} {E522.N} 121.51412 0.24400 0.33557 ++ {0.0} {} 0.0 16.2272 0 {} 0 0 0 63 {L463.H} 7.99083 0.04250 0.03381 ++ {0.0} {} {L463.N} 121.71838 0.28957 0.21281 ++ {0.0} {} 0.0 8.5694 0 {} 0 0 0 64 {K589.H} 7.87810 0.02653 0.07621 ++ {0.0} {} {K589.N} 122.25232 0.18048 0.57332 ++ {0.0} {} 0.0 109.4875 0 {} 0 0 0 65 {K563.H} 8.62645 0.02654 0.04613 ++ {0.0} {} {K563.N} 122.35830 0.17759 0.33249 ++ {0.0} {} 0.0 26.5163 0 {} 0 0 0 66 {L538.H} 8.34951 0.02836 0.05117 ++ {0.0} {} {L538.N} 122.06599 0.23422 0.40008 ++ {0.0} {} 0.0 28.6353 0 {} 0 0 0 67 {V495.H} 7.98608 0.02788 0.06230 ++ {0.0} {} {V495.N} 122.68251 0.25169 0.42569 ++ {0.0} {} 0.0 26.7105 0 {} 0 0 0 68 {Q571.H} 8.13597 0.03097 0.05570 ++ {0.0} {} {Q571.N} 122.34216 0.25692 0.45319 ++ {0.0} {} 0.0 38.1180 0 {} 0 0 0 69 {V608.H} 8.06717 0.03390 0.04843 ++ {0.0} {} {V608.N} 122.20476 0.23803 0.36989 ++ {0.0} {} 0.0 31.3572 0 {} 0 0 0 70 {I561.H} 8.33730 0.03537 0.05452 ++ {0.0} {} {I561.N} 121.84389 0.08314 0.28158 ++ {0.0} {} 0.0 20.4277 0 {} 0 0 0 71 {V508.H} 8.89862 0.02324 0.04212 ++ {0.0} {} {V508.N} 121.74764 0.20573 0.29953 ++ {0.0} {} 0.0 25.8819 0 {} 0 0 0 72 {V469.H} 7.87914 0.02519 0.04607 ++ {0.0} {} {V469.N} 121.49885 0.25889 0.38580 ++ {0.0} {} 0.0 20.8089 0 {} 0 0 0 73 {F504.H} 8.57514 0.02287 0.03765 ++ {0.0} {} {F504.N} 120.92139 0.24532 0.42409 ++ {0.0} {} 0.0 21.4284 0 {} 0 0 0 74 {E586.H} 7.47486 0.02397 0.06173 ++ {0.0} {} {E586.N} 121.60590 0.18554 0.47594 ++ {0.0} {} 0.0 71.9620 0 {} 0 0 0 75 {I565.H} 9.31628 0.02448 0.04135 ++ {0.0} {} {I565.N} 121.36399 0.17876 0.29895 ++ {0.0} {} 0.0 30.2781 0 {} 0 0 0 76 {T666.H} 8.29873 0.03420 0.05735 ++ {0.0} {} {T666.N} 121.41521 0.30811 0.50835 ++ {0.0} {} 0.0 23.2107 0 {} 0 0 0 77 {V651.H} 8.20508 0.02506 0.06520 ++ {0.0} {} {V651.N} 121.04355 0.14612 0.39003 ++ {0.0} {} 0.0 105.9092 0 {} 0 0 0 78 {T622.H} 9.01091 0.02764 0.05186 ++ {0.0} {} {T622.N} 120.94554 0.26429 0.42041 ++ {0.0} {} 0.0 30.8056 0 {} 0 0 0 79 {C458.H} 8.52735 0.02407 0.04489 ++ {0.0} {} {C458.N} 121.08266 0.24271 0.48323 ++ {0.0} {} 0.0 41.6471 0 {} 0 0 0 80 {S533.H} 8.88626 0.02328 0.04843 ++ {0.0} {} {S533.N} 120.29868 0.11674 0.30796 ++ {0.0} {} 0.0 56.5284 0 {} 0 0 0 81 {N505.H} 9.22379 0.02322 0.03456 ++ {0.0} {} {N505.N} 120.44814 0.18989 0.28362 ++ {0.0} {} 0.0 17.9651 0 {} 0 0 0 82 {Q576.H} 8.97202 0.03268 0.04668 ++ {0.0} {} {Q576.N} 120.80024 0.22362 0.40305 ++ {0.0} {} 0.0 29.9603 0 {} 0 0 0 83 {K569.H} 8.27304 0.02676 0.04960 ++ {0.0} {} {K569.N} 120.92915 0.24021 0.42653 ++ {0.0} {} 0.0 33.3687 0 {} 0 0 0 84 {N554.H} 8.08168 0.02672 0.03786 ++ {0.0} {} {N554.N} 120.90764 0.34500 0.51874 ++ {0.0} {} 0.0 17.7264 0 {} 0 0 0 85 {N619.H} 8.40154 0.03098 0.03870 ++ {0.0} {} {N619.N} 120.53461 0.28689 0.35231 ++ {0.0} {} 0.0 14.1264 0 {} 0 0 0 86 {V537.H} 7.82752 0.02793 0.04881 ++ {0.0} {} {V537.N} 121.13527 0.19631 0.38279 ++ {0.0} {} 0.0 28.5374 0 {} 0 0 0 87 {K517.H} 8.54470 0.03304 0.08033 ++ {0.0} {} {K517.N} 120.15232 0.25093 0.55656 ++ {0.0} {} 0.0 32.2197 0 {} 0 0 0 88 {V488.H} 8.50255 0.03402 0.07143 ++ {0.0} {} {V488.N} 120.26237 0.24324 0.43197 ++ {0.0} {} 0.0 32.6456 0 {} 0 0 0 89 {Q667.H} 7.62816 0.02120 0.04316 ++ {0.0} {} {Q667.N} 120.33012 0.23308 0.41110 ++ {0.0} {} 0.0 31.0230 0 {} 0 0 0 90 {D605.H} 6.74610 0.03973 0.05595 ++ {0.0} {} {D605.N} 120.56039 0.19034 0.28108 ++ {0.0} {} 0.0 16.5828 0 {} 0 0 0 91 {R530.H} 8.77207 0.02840 0.04436 ++ {0.0} {} {R530.N} 120.19494 0.17314 0.27897 ++ {0.0} {} 0.0 20.9014 0 {} 0 0 0 92 {R645.H} 7.39343 0.02427 0.06446 ++ {0.0} {} {R645.N} 120.26975 0.18722 0.36855 ++ {0.0} {} 0.0 59.0686 0 {} 0 0 0 93 {Y525.H} 8.30028 0.02663 0.05741 ++ {0.0} {} {Y525.N} 119.85005 0.18047 0.29452 ++ {0.0} {} 0.0 39.8934 0 {} 0 0 0 94 {Q615.H} 7.91047 0.02237 0.04959 ++ {0.0} {} {Q615.N} 119.84821 0.11865 0.34282 ++ {0.0} {} 0.0 72.5574 0 {} 0 0 0 95 {H658.H} 7.11938 0.02766 0.04750 ++ {0.0} {} {H658.N} 120.15928 0.16431 0.28639 ++ {0.0} {} 0.0 24.3050 0 {} 0 0 0 96 {Y602.H} 8.26054 0.04746 0.06780 ++ {0.0} {} {Y602.N} 119.90996 0.24726 0.30439 ++ {0.0} {} 0.0 13.7889 0 {} 0 0 0 97 {D541.H} 6.98452 0.03160 0.05780 ++ {0.0} {} {D541.N} 119.65197 0.13884 0.39102 ++ {0.0} {} 0.0 46.6667 0 {} 0 0 0 98 {K621.H} 8.44210 0.02790 0.06471 ++ {0.0} {} {K621.N} 119.32360 0.30074 0.42963 ++ {0.0} {} 0.0 38.4008 0 {} 0 0 0 99 {W646.H} 7.44147 0.02914 0.05766 ++ {0.0} {} {W646.N} 119.37397 0.15121 0.30794 ++ {0.0} {} 0.0 42.3266 0 {} 0 0 0 100 {V641.H} 8.43425 0.02665 0.05279 ++ {0.0} {} {V641.N} 119.83888 0.16831 0.30946 ++ {0.0} {} 0.0 45.5358 0 {} 0 0 0 101 {V513.H} 8.13366 0.03036 0.04808 ++ {0.0} {} {V513.N} 118.82432 0.22781 0.36077 ++ {0.0} {} 0.0 20.9090 0 {} 0 0 0 102 {T489.H} 7.79182 0.02728 0.04764 ++ {0.0} {} {T489.N} 118.87469 0.24842 0.35365 ++ {0.0} {} 0.0 19.7329 0 {} 0 0 0 103 {E547.H} 8.46769 0.01894 0.05359 ++ {0.0} {} {E547.N} 119.24203 0.19571 0.46789 ++ {0.0} {} 0.0 58.3592 0 {} 0 0 0 104 {M481.H} 7.25181 0.02687 0.04220 ++ {0.0} {} {M481.N} 119.07192 0.19507 0.31705 ++ {0.0} {} 0.0 22.6302 0 {} 0 0 0 105 {W542.H} 7.61884 0.03138 0.05109 ++ {0.0} {} {W542.N} 118.44827 0.20490 0.39506 ++ {0.0} {} 0.0 26.3204 0 {} 0 0 0 106 {S673.H} 8.07199 0.02304 0.05461 ++ {0.0} {} {S673.N} 118.73036 0.19023 0.63927 ++ {0.0} {} 0.0 129.4164 0 {} 0 0 0 107 {Y665.H} 7.32255 0.02754 0.05010 ++ {0.0} {} {Y665.N} 118.45984 0.18860 0.34104 ++ {0.0} {} 0.0 29.3102 0 {} 0 0 0 108 {K546.H} 7.37004 0.03666 0.06780 ++ {0.0} {} {K546.N} 118.31584 0.27243 0.40186 ++ {0.0} {} 0.0 21.1504 0 {} 0 0 0 109 {A559.H} 7.25301 0.03025 0.04637 ++ {0.0} {} {A559.N} 118.34721 0.23422 0.33110 ++ {0.0} {} 0.0 20.4332 0 {} 0 0 0 110 {S553.H} 8.32720 0.02983 0.04744 ++ {0.0} {} {S553.N} 118.37298 0.20544 0.31181 ++ {0.0} {} 0.0 20.5446 0 {} 0 0 0 111 {S669.H} 8.56031 0.02529 0.05151 ++ {0.0} {} {S669.N} 118.16062 0.20006 0.50142 ++ {0.0} {} 0.0 62.8258 0 {} 0 0 0 112 {Q591.H} 7.38841 0.02695 0.05705 ++ {0.0} {} {Q591.N} 118.04330 0.13062 0.56348 ++ {0.0} {} 0.0 89.0344 0 {} 0 0 0 113 {T623.H} 9.52581 0.02530 0.04767 ++ {0.0} {} {T623.N} 118.21923 0.12656 0.30307 ++ {0.0} {} 0.0 54.5429 0 {} 0 0 0 114 {S496.H} 8.30068 0.03122 0.03350 ++ {0.0} {} {S496.N} 118.36667 0.25012 0.26559 ++ {0.0} {} 0.0 10.9897 0 {} 0 0 0 115 {E611.H} 9.06961 0.02260 0.04457 ++ {0.0} {} {E611.N} 118.31866 0.14964 0.30659 ++ {0.0} {} 0.0 54.0205 0 {} 0 0 0 116 {T595.H} 7.86890 0.02514 0.05649 ++ {0.0} {} {T595.N} 117.66255 0.15549 0.34091 ++ {0.0} {} 0.0 46.6462 0 {} 0 0 0 117 {E487.H} 7.81643 0.02190 0.04089 ++ {0.0} {} {E487.N} 117.76659 0.19030 0.30853 ++ {0.0} {} 0.0 31.2407 0 {} 0 0 0 118 {D630.H} 7.58572 0.03114 0.06341 ++ {0.0} {} {D630.N} 117.57732 0.14663 0.47594 ++ {0.0} {} 0.0 61.7915 0 {} 0 0 0 119 {L480.H} 7.13773 0.03387 0.04140 ++ {0.0} {} {L480.N} 117.51907 0.19235 0.24696 ++ {0.0} {} 0.0 12.6607 0 {} 0 0 0 120 {S583.H} 8.89544 0.02831 0.06217 ++ {0.0} {} {S583.N} 117.26456 0.13627 0.36252 ++ {0.0} {} 0.0 46.9384 0 {} 0 0 0 121 {E585.H} 8.51924 0.02398 0.05551 ++ {0.0} {} {E585.N} 117.26952 0.16712 0.46763 ++ {0.0} {} 0.0 65.3511 0 {} 0 0 0 122 {Y507.H} 9.14941 0.02634 0.03678 ++ {0.0} {} {Y507.N} 116.48075 0.17451 0.26421 ++ {0.0} {} 0.0 16.3092 0 {} 0 0 0 123 {L661.H} 7.17832 0.02431 0.04019 ++ {0.0} {} {L661.N} 116.54407 0.16625 0.29482 ++ {0.0} {} 0.0 28.5147 0 {} 0 0 0 124 {S629.H} 9.77238 0.03377 0.06702 ++ {0.0} {} {S629.N} 116.18693 0.16005 0.47548 ++ {0.0} {} 0.0 54.3088 0 {} 0 0 0 125 {N515.H} 8.05791 0.03379 0.02674 ++ {0.0} {} {N515.N} 115.65331 0.29816 0.23823 ++ {0.0} {} 0.0 8.0395 0 {} 0 0 0 126 {N650.H} 6.80445 0.02757 0.05794 ++ {0.0} {} {N650.N} 116.08649 0.15026 0.46506 ++ {0.0} {} 0.0 53.9619 0 {} 0 0 0 127 {N618.H} 8.65031 0.02852 0.06002 ++ {0.0} {} {N618.N} 115.63541 0.18811 0.37738 ++ {0.0} {} 0.0 38.6016 0 {} 0 0 0 128 {N544.H} 7.90999 0.02822 0.04171 ++ {0.0} {} {N544.N} 115.86142 0.24186 0.34035 ++ {0.0} {} 0.0 19.7001 0 {} 0 0 0 129 {S671.H} 8.19343 0.02773 0.05620 ++ {0.0} {} {S671.N} 115.25939 0.27895 0.52754 ++ {0.0} {} 0.0 63.3201 0 {} 0 0 0 130 {Q647.H} 8.58758 0.04015 0.07313 ++ {0.0} {} {Q647.N} 115.61833 0.13668 0.32077 ++ {0.0} {} 0.0 36.7594 0 {} 0 0 0 131 {T485.H} 8.34612 0.02665 0.04902 ++ {0.0} {} {T485.N} 115.38342 0.15907 0.36539 ++ {0.0} {} 0.0 35.8002 0 {} 0 0 0 132 {Y636.H} 8.05515 0.02120 0.05079 ++ {0.0} {} {Y636.N} 115.77274 0.17351 0.40330 ++ {0.0} {} 0.0 59.5775 0 {} 0 0 0 133 {K477.H} 8.73306 0.03488 0.05319 ++ {0.0} {} {K477.N} 115.72647 0.19303 0.28545 ++ {0.0} {} 0.0 18.1833 0 {} 0 0 0 134 {Y620.H} 7.50012 0.02751 0.05789 ++ {0.0} {} {Y620.N} 115.32196 0.14161 0.43128 ++ {0.0} {} 0.0 79.1520 0 {} 0 0 0 135 {Q648.H} 7.62184 0.02569 0.06773 ++ {0.0} {} {Q648.N} 115.20543 0.18838 0.57160 ++ {0.0} {} 0.0 57.5473 0 {} 0 0 0 136 {S566.H} 7.63202 0.02670 0.04729 ++ {0.0} {} {S566.N} 115.02010 0.17566 0.40087 ++ {0.0} {} 0.0 30.0380 0 {} 0 0 0 137 {W610.H} 6.10014 0.03441 0.04101 ++ {0.0} {} {W610.N} 114.78481 0.21279 0.26816 ++ {0.0} {} 0.0 12.6599 0 {} 0 0 0 138 {L635.H} 9.56870 0.02278 0.05538 ++ {0.0} {} {L635.N} 114.86689 0.15833 0.34048 ++ {0.0} {} 0.0 72.2669 0 {} 0 0 0 139 {S593.H} 8.75547 0.02272 0.05055 ++ {0.0} {} {S593.N} 114.71350 0.15873 0.45105 ++ {0.0} {} 0.0 52.9959 0 {} 0 0 0 140 {S637.H} 9.29609 0.02382 0.04821 ++ {0.0} {} {S637.N} 114.39112 0.15711 0.32541 ++ {0.0} {} 0.0 48.1511 0 {} 0 0 0 141 {N590.H} 8.31788 0.02655 0.05164 ++ {0.0} {} {N590.N} 113.95778 0.22738 0.45129 ++ {0.0} {} 0.0 32.1814 0 {} 0 0 0 142 {D478.H} 6.75219 0.03020 0.03531 ++ {0.0} {} {D478.N} 113.72880 0.22100 0.26269 ++ {0.0} {} 0.0 12.7945 0 {} 0 0 0 143 {Q540.H} 9.08037 0.02778 0.04439 ++ {0.0} {} {Q540.N} 113.25271 0.16826 0.34776 ++ {0.0} {} 0.0 24.2122 0 {} 0 0 0 144 {S644.H} 8.73673 0.02571 0.05162 ++ {0.0} {} {S644.N} 113.40629 0.21901 0.55502 ++ {0.0} {} 0.0 66.8198 0 {} 0 0 0 145 {S612.H} 8.92997 0.03079 0.05502 ++ {0.0} {} {S612.N} 113.13935 0.15259 0.30283 ++ {0.0} {} 0.0 56.3234 0 {} 0 0 0 146 {T564.H} 8.17422 0.02522 0.04114 ++ {0.0} {} {T564.N} 113.14442 0.20192 0.36953 ++ {0.0} {} 0.0 30.1256 0 {} 0 0 0 147 {M587.H} 7.16481 0.02550 0.05557 ++ {0.0} {} {M587.N} 112.20556 0.19303 0.49015 ++ {0.0} {} 0.0 67.2463 0 {} 0 0 0 148 {S483.H} 7.51655 0.03127 0.04333 ++ {0.0} {} {S483.N} 112.06194 0.26532 0.37024 ++ {0.0} {} 0.0 16.1700 0 {} 0 0 0 149 {T579.H} 8.63972 0.02446 0.06116 ++ {0.0} {} {T579.N} 111.93009 0.12262 0.46552 ++ {0.0} {} 0.0 91.2589 0 {} 0 0 0 150 {S604.H} 8.19451 0.03102 0.03642 ++ {0.0} {} {S604.N} 111.82097 0.26418 0.29742 ++ {0.0} {} 0.0 12.2789 0 {} 0 0 0 151 {F634.H} 8.69831 0.02886 0.05573 ++ {0.0} {} {F634.N} 111.79967 0.13568 0.31820 ++ {0.0} {} 0.0 45.7030 0 {} 0 0 0 152 {F601.H} 7.75311 0.02651 0.04927 ++ {0.0} {} {F601.N} 111.35220 0.17212 0.33623 ++ {0.0} {} 0.0 38.6574 0 {} 0 0 0 153 {V592.H} 8.61394 0.02175 0.05160 ++ {0.0} {} {V592.N} 111.16554 0.12085 0.45635 ++ {0.0} {} 0.0 93.3604 0 {} 0 0 0 154 {G600.H} 8.26665 0.01800 0.03646 ++ {0.0} {} {G600.N} 111.08399 0.18681 0.36460 ++ {0.0} {} 0.0 41.4531 0 {} 0 0 0 155 {S527.H} 8.07443 0.03000 0.03017 ++ {0.0} {} {S527.N} 110.95270 0.29553 0.29714 ++ {0.0} {} 0.0 10.0618 0 {} 0 0 0 156 {G570.H} 8.38630 0.02566 0.04388 ++ {0.0} {} {G570.N} 110.81726 0.22734 0.42235 ++ {0.0} {} 0.0 29.5693 0 {} 0 0 0 157 {G675.H} 8.27545 0.01812 0.04891 ++ {0.0} {} {G675.N} 109.32505 0.16469 0.58145 ++ {0.0} {} 0.0 152.3505 0 {} 0 0 0 158 {G465.H} 8.17529 0.02589 0.04475 ++ {0.0} {} {G465.N} 109.22985 0.16324 0.41195 ++ {0.0} {} 0.0 26.7027 0 {} 0 0 0 159 {H664.H} 8.44192 0.03089 0.03537 ++ {0.0} {} {H664.N} 108.71215 0.17811 0.22711 ++ {0.0} {} 0.0 11.8771 0 {} 0 0 0 160 {G466.H} 7.82469 0.02923 0.01510 ++ {0.0} {} {G466.N} 108.23914 0.15373 0.06824 ++ {0.0} {} 0.0 6.4262 0 {} 0 0 0 161 {T588.H} 7.05898 0.02620 0.05533 ++ {0.0} {} {T588.N} 107.80208 0.13973 0.43617 ++ {0.0} {} 0.0 58.6134 0 {} 0 0 0 162 {G631.H} 7.67568 0.02023 0.05235 ++ {0.0} {} {G631.N} 107.54619 0.14959 0.43850 ++ {0.0} {} 0.0 71.2977 0 {} 0 0 0 163 {G545.H} 7.73841 0.02772 0.04205 ++ {0.0} {} {G545.N} 107.05132 0.16594 0.29117 ++ {0.0} {} 0.0 20.4159 0 {} 0 0 0 164 {T479.H} 7.10374 0.02955 0.02633 ++ {0.0} {} {T479.N} 104.46355 0.18507 0.16084 ++ {0.0} {} 0.0 9.0017 0 {} 0 0 0 165 {G649.H} 7.47528 0.02214 0.05444 ++ {0.0} {} {G649.N} 104.79256 0.18610 0.44018 ++ {0.0} {} 0.0 56.6359 0 {} 0 0 0 166 {G614.H} 8.64553 0.02067 0.04465 ++ {0.0} {} {G614.N} 103.68844 0.16340 0.39539 ++ {0.0} {} 0.0 72.2687 0 {} 0 0 0 167 {G510.H} 8.97217 0.02376 0.03911 ++ {0.0} {} {G510.N} 102.03248 0.16728 0.28746 ++ {0.0} {} 0.0 28.3953 0 {} 0 0 0 168 {S468.H} 8.07449 0.04009 0.04180 ++ {0.0} {} {S468.N} 114.23469 0.26696 0.27580 ++ {0.0} {} 0.0 4.2968 0 {} 0 0 0 169 {F633.H} 8.67661 0.02852 0.07694 ++ {0.0} {} {F633.N} 115.65855 0.18811 0.50160 ++ {0.0} {} 0.0 38.6016 0 {} 0 0 0 170 {N663.H} 8.98201 0.03727 0.02881 ++ {0.0} {} {N663.N} 121.56627 0.19379 0.28126 ++ {0.0} {} 0.0 3.0546 0 {} 0 0 0 171 {Y578.H} 9.31766 0.02526 0.07201 ++ {0.0} {} {Y578.N} 124.32628 0.13942 0.64295 ++ {0.0} {} 0.0 82.0009 0 {} 0 0 0 172 {H662.H} 9.27873 0.03127 0.05781 ++ {0.0} {} {H662.N} 125.21728 0.26822 0.43947 ++ {0.0} {} 0.0 12.8766 0 {} 0 0 0 173 {C654.H} 8.67676 0.03234 0.05752 ++ {0.0} {} {C654.N} 126.10678 0.21430 0.39996 ++ {0.0} {} 0.0 19.6467 0 {} 0 0 0 174 {Q524.H} 8.77918 0.02534 0.05273 ++ {0.0} {} {Q524.H} 122.88249 0.23680 0.45710 ++ {0.0} {} 0.0 24.1335 0 {} 0 0 0 175 {H539.H} 8.92471 0.04130 0.03906 ++ {0.0} {} {H539.N} 123.27820 0.36071 0.33620 ++ {0.0} {} 0.0 3.0965 0 {} 0 0 0 176 {H514.H} 8.75792 0.03329 0.02582 ++ {0.0} {} {H514.N} 118.25633 0.30788 0.23220 ++ {0.0} {} 0.0 4.0159 0 {} 0 0 0 177 {T518.H} 8.59351 0.02287 0.05089 ++ {0.0} {} {T518.N} 121.76029 0.25596 0.66120 ++ {0.0} {} 0.0 21.4284 0 {} 0 0 0 178 {E462.H} 8.45782 0.02721 0.04668 ++ {0.0} {} {E462.N} 119.69532 0.19706 0.43160 ++ {0.0} {} 0.0 81.1261 0 {} 0 0 0 179 {V598.H} 8.25619 0.02005 0.03628 ++ {0.0} {} {V598.N} 127.00367 0.12454 0.25596 ++ {0.0} {} 0.0 91.4695 0 {} 0 0 0 180 {R484.H} 7.76167 0.02502 0.03927 ++ {0.0} {} {R484.N} 122.69009 0.18643 0.29663 ++ {0.0} {} 0.0 116.3260 0 {} 0 0 0 181 {T528.H} 7.05950 0.05758 0.06040 ++ {0.0} {} {T528.N} 108.87343 0.38209 0.40280 ++ {0.0} {} 0.0 1.4225 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 Proton . 'not observed' . ppm . . . . . . 53625 3 2 . . N 15 Nitrogen . 'not observed' . ppm . . . . . . 53625 3 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 53625 3 stop_ save_ save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 53625 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name C_Fc_EEM_G1_6 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _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 8 _Spectral_peak_list.Experiment_name '2D 1H-13C 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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 1H 13C s25r001-11_Chsqc_DG2-274.nv 2811.97680664 4238.30175781 700.132995605 176.050994873 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U 13C.L 13C.P 13C.W 13C.B 13C.E 13C.J 13C.U vol int stat comment flag0 flag8 flag9 0 {A660.HB1} 1.64360 0.04692 0.02861 ++ {0.0} {} {A660.CB} 19.22915 0.50620 0.40894 ++ {0.0} {} 0.0 7.0436 0 {} 0 0 0 1 {T588.HG21} 1.27692 0.03434 0.01527 ++ {0.0} {} {T588.CG2} 21.55033 0.40727 0.26296 ++ {0.0} {} 0.0 6.4300 0 {} 0 0 0 2 {V531.HG11} 1.23595 0.03718 0.07965 ++ {0.0} {} {V531.CG1} 22.47570 0.09960 0.24302 ++ {0.0} {} 0.0 50.5073 0 {} 0 0 0 3 {L670.HD11} 1.11130 0.04124 0.06917 ++ {0.0} {} {L670.CD1} 24.73034 0.16399 0.27265 ++ {0.0} {} 0.0 35.6864 0 {} 0 0 0 4 {L670.HD21} 1.11660 0.02717 0.06448 ++ {0.0} {} {L670.CD2} 26.49441 0.09112 0.23871 ++ {0.0} {} 0.0 90.2452 0 {} 0 0 0 5 {I565.HD11} 1.05145 0.03559 0.07175 ++ {0.0} {} {I565.CD1} 14.88599 0.07907 0.23370 ++ {0.0} {} 0.0 76.5008 0 {} 0 0 0 6 {L471.HD21} 1.02556 0.03272 0.09033 ++ {0.0} {} {L471.CD2} 25.00015 0.09565 0.22198 ++ {0.0} {} 0.0 183.3565 0 {} 0 0 0 7 {V491.HG11} 1.08812 0.03660 0.08562 ++ {0.0} {} {V491.CG1} 22.40647 0.16578 0.31359 ++ {0.0} {} 0.0 39.8126 0 {} 0 0 0 8 {V511.HG11} 1.01799 0.04879 0.04583 ++ {0.0} {} {V511.CG1} 21.10626 0.15414 0.14790 ++ {0.0} {} 0.0 9.5090 0 {} 0 0 0 9 {T536.HG21} 1.09948 0.05118 0.18376 ++ {0.0} {} {T536.CG2} 21.90596 0.14069 0.22111 ++ {0.0} {} 0.0 43.6604 0 {} 0 0 0 10 {T666.HG21} 0.97421 0.06205 0.01283 ++ {0.0} {} {T666.CG2} 19.63786 0.19749 0.05918 ++ {0.0} {} 0.0 5.6246 0 {} 0 0 0 11 {L580.HD11} 0.96353 0.03305 0.08202 ++ {0.0} {} {L580.CD1} 26.78998 0.07106 0.20127 ++ {0.0} {} 0.0 126.9544 0 {} 0 0 0 12 {L538.HD11} 0.99022 0.03054 0.08562 ++ {0.0} {} {L538.CD1} 23.85694 0.19381 0.45103 ++ {0.0} {} 0.0 207.4971 0 {} 0 0 0 13 {L464.HD11} 0.91582 0.05119 0.17851 ++ {0.0} {} {L463.CD1} 25.14379 0.14789 0.88402 ++ {0.0} {} 0.0 239.1225 0 {} 0 0 0 14 {V492.HG11} 0.95378 0.03904 0.08644 ++ {0.0} {} {V492.CG1} 23.68713 0.12726 0.24056 ++ {0.0} {} 0.0 123.1249 0 {} 0 0 0 15 {V511.HG21} 0.93871 0.04428 0.11987 ++ {0.0} {} {V511.CG2} 21.82367 0.09682 0.25539 ++ {0.0} {} 0.0 222.0678 0 {} 0 0 0 16 {L463.HD21} 0.86777 0.03975 0.09617 ++ {0.0} {} {L463.CD2} 23.95981 0.22551 0.32216 ++ {0.0} {} 0.0 149.6751 0 {} 0 0 0 17 {L661.HD21} 0.91521 0.03957 0.11987 ++ {0.0} {} {L661.CD2} 23.38559 0.16865 0.28964 ++ {0.0} {} 0.0 85.5536 0 {} 0 0 0 18 {L464.HD21} 0.85975 0.04447 0.11987 ++ {0.0} {} {L464.CD2} 23.74789 0.12227 0.25383 ++ {0.0} {} 0.0 194.3369 0 {} 0 0 0 19 {L543.HD21} 0.85405 0.03101 0.14488 ++ {0.0} {} {L543.CD2} 22.26648 0.12153 0.22402 ++ {0.0} {} 0.0 204.9551 0 {} 0 0 0 20 {L471.HD11} 0.80239 0.04949 0.08839 ++ {0.0} {} {L471.CD1} 27.60346 0.16357 0.23626 ++ {0.0} {} 0.0 29.6506 0 {} 0 0 0 21 {L543.HD11} 0.84475 0.04060 0.06957 ++ {0.0} {} {L543.CD1} 25.50418 0.12204 0.21822 ++ {0.0} {} 0.0 28.5366 0 {} 0 0 0 22 {V626.HG11} 0.83261 0.04332 0.12307 ++ {0.0} {} {V626.CG1} 21.88089 0.13322 0.30154 ++ {0.0} {} 0.0 182.5475 0 {} 0 0 0 23 {L635.HD21} 0.81264 0.03377 0.08329 ++ {0.0} {} {L635.CD2} 28.08418 0.08517 0.22999 ++ {0.0} {} 0.0 149.2362 0 {} 0 0 0 24 {V534.HG21} 0.79406 0.03973 0.10091 ++ {0.0} {} {V534.CG2} 21.14483 0.13389 0.24634 ++ {0.0} {} 0.0 102.3286 0 {} 0 0 0 25 {A516.HB1} 0.80650 0.05877 0.06880 ++ {0.0} {} {A516.CB} 20.56827 0.17657 0.19391 ++ {0.0} {} 0.0 11.4579 0 {} 0 0 0 26 {I561.HD11} 0.80088 0.03531 0.07235 ++ {0.0} {} {I561.CD1} 14.12046 0.15372 0.34969 ++ {0.0} {} 0.0 48.3795 0 {} 0 0 0 27 {V513.HG11} 0.77162 0.04455 0.07970 ++ {0.0} {} {V513.CG1} 19.78292 0.14323 0.23191 ++ {0.0} {} 0.0 32.1356 0 {} 0 0 0 28 {V469.HG11} 0.73585 0.04265 0.06685 ++ {0.0} {} {V469.CG1} 22.68957 0.18501 0.30406 ++ {0.0} {} 0.0 28.1161 0 {} 0 0 0 29 {V608.HG21} 0.73927 0.04317 0.12088 ++ {0.0} {} {V608.CG2} 22.32882 0.11504 0.23163 ++ {0.0} {} 0.0 202.2609 0 {} 0 0 0 30 {I561.HG21} 0.74269 0.05273 0.05702 ++ {0.0} {} {I561.CG2} 17.97456 0.29068 0.32395 ++ {0.0} {} 0.0 11.0402 0 {} 0 0 0 31 {L672.HD21} 0.74031 0.02954 0.08632 ++ {0.0} {} {L672.CD2} 24.13937 0.09898 0.22138 ++ {0.0} {} 0.0 373.0201 0 {} 0 0 0 32 {L627.HD11} 0.69074 0.02687 0.09127 ++ {0.0} {} {L627.CD1} 25.89865 0.09759 0.21876 ++ {0.0} {} 0.0 217.0400 0 {} 0 0 0 33 {V651.HG11} 0.97779 0.04083 0.08901 ++ {0.0} {} {V651.CG2} 21.47018 0.14305 0.37710 ++ {0.0} {} 0.0 45.3283 0 {} 0 0 0 34 {L635.HD11} 0.71291 0.03514 0.09701 ++ {0.0} {} {L635.CD1} 23.92272 0.09550 0.21724 ++ {0.0} {} 0.0 179.7163 0 {} 0 0 0 35 {L597.HD21} 0.67660 0.04276 0.11737 ++ {0.0} {} {L597.CD2} 25.24425 0.13689 0.22822 ++ {0.0} {} 0.0 106.8593 0 {} 0 0 0 36 {L661.HD11} 0.65315 0.03288 0.05828 ++ {0.0} {} {L661.CD1} 27.42101 0.11950 0.18448 ++ {0.0} {} 0.0 22.6138 0 {} 0 0 0 37 {L672.HD11} 0.66525 0.03827 0.08721 ++ {0.0} {} {L672.CD1} 25.43852 0.07279 0.22892 ++ {0.0} {} 0.0 343.1174 0 {} 0 0 0 38 {I482.HD11} 0.61774 0.03828 0.08266 ++ {0.0} {} {I482.CD1} 13.02077 0.08815 0.21960 ++ {0.0} {} 0.0 139.5825 0 {} 0 0 0 39 {V656.HG11} 0.57153 0.04200 0.10030 ++ {0.0} {} {V656.CG1} 22.85420 0.15713 0.25417 ++ {0.0} {} 0.0 115.1665 0 {} 0 0 0 40 {V552.HG21} 0.57277 0.04710 0.09926 ++ {0.0} {} {V552.CG2} 22.50223 0.08985 0.16412 ++ {0.0} {} 0.0 52.1159 0 {} 0 0 0 41 {V534.HG11} 0.65350 0.04389 0.11987 ++ {0.0} {} {V534.CG1} 21.94069 0.08438 0.20049 ++ {0.0} {} 0.0 332.0548 0 {} 0 0 0 42 {V577.HG11} 0.49921 0.01889 0.02788 ++ {0.0} {} {V577.CG1} 21.54864 0.04933 0.07280 ++ {0.0} {} 0.0 19.0722 0 {} 0 0 0 43 {V577.HG21} 0.49258 0.03623 0.08589 ++ {0.0} {} {V577.CG2} 21.03842 0.07352 0.17710 ++ {0.0} {} 0.0 130.1865 0 {} 0 0 0 44 {V608.HG21} 0.55462 0.04463 0.06403 ++ {0.0} {} {V608.CG2} 20.86257 0.09723 0.16857 ++ {0.0} {} 0.0 24.8214 0 {} 0 0 0 45 {I606.HG21} 0.57530 0.04267 0.03176 ++ {0.0} {} {I606.CG2} 15.75367 0.31150 0.25222 ++ {0.0} {} 0.0 8.1853 0 {} 0 0 0 46 {V508.HG11} 0.51744 0.04123 0.07398 ++ {0.0} {} {V508.CG1} 20.50693 0.15704 0.23476 ++ {0.0} {} 0.0 37.6952 0 {} 0 0 0 47 {V592.HG11} 0.50069 0.03940 0.09566 ++ {0.0} {} {V592.CG1} 21.71775 0.07889 0.20569 ++ {0.0} {} 0.0 158.8486 0 {} 0 0 0 48 {L535.HD11} 0.47399 0.03238 0.05499 ++ {0.0} {} {L535.CD1} 26.52866 0.10116 0.16590 ++ {0.0} {} 0.0 19.7301 0 {} 0 0 0 49 {L480.HD21} 0.40910 0.04529 0.06418 ++ {0.0} {} {L480.CD2} 25.09079 0.10665 0.16217 ++ {0.0} {} 0.0 18.9743 0 {} 0 0 0 50 {V598.HG21} 0.57636 0.04234 0.11086 ++ {0.0} {} {V598.CG2} 21.88503 0.08317 0.21448 ++ {0.0} {} 0.0 329.2691 0 {} 0 0 0 51 {V552.HG11} 0.35501 0.03941 0.07732 ++ {0.0} {} {V552.CG1} 20.61611 0.09304 0.22384 ++ {0.0} {} 0.0 41.0038 0 {} 0 0 0 52 {V502.HG11} 0.35821 0.03812 0.08435 ++ {0.0} {} {V502.CG1} 23.02524 0.11372 0.21753 ++ {0.0} {} 0.0 53.1351 0 {} 0 0 0 53 {V641.HG11} 0.25303 0.03323 0.11936 ++ {0.0} {} {V641.CG1} 19.69509 0.08570 0.22444 ++ {0.0} {} 0.0 279.1941 0 {} 0 0 0 54 {L535.HD21} 0.27418 0.04859 0.13991 ++ {0.0} {} {L535.CD2} 23.06828 0.07347 0.23283 ++ {0.0} {} 0.0 169.9771 0 {} 0 0 0 55 {V537.HG11} 0.24653 0.04639 0.08324 ++ {0.0} {} {V537.CG1} 19.54679 0.15755 0.22037 ++ {0.0} {} 0.0 49.4671 0 {} 0 0 0 56 {L597.HD11} 0.14175 0.04087 0.09546 ++ {0.0} {} {L597.CD1} 21.07576 0.10240 0.21881 ++ {0.0} {} 0.0 131.2808 0 {} 0 0 0 57 {V592.HG21} 0.13581 0.04142 0.10444 ++ {0.0} {} {V592.CG2} 17.78635 0.07678 0.20443 ++ {0.0} {} 0.0 200.8882 0 {} 0 0 0 58 {L594.HD21} -0.06062 0.04063 0.10016 ++ {0.0} {} {L594.CD2} 25.08333 0.08289 0.23498 ++ {0.0} {} 0.0 226.8006 0 {} 0 0 0 59 {L594.HD11} -0.13299 0.03721 0.09473 ++ {0.0} {} {L594.CD1} 24.00762 0.11697 0.41713 ++ {0.0} {} 0.0 227.2365 0 {} 0 0 0 60 {I606.HD11} -0.60348 0.04077 0.09196 ++ {0.0} {} {I606.CD1} 13.22651 0.10455 0.22292 ++ {0.0} {} 0.0 105.4390 0 {} 0 0 0 61 {I565.HG21} 1.12783 0.04749 0.06810 ++ {0.0} {} {I565.CG2} 17.84601 0.31470 0.48382 ++ {0.0} {} 0.0 4.3864 0 {} 0 0 0 62 {V656.HG21} 0.49654 0.03972 0.05878 ++ {0.0} {} {V656.CG2} 22.25413 0.06674 0.09541 ++ {0.0} {} 0.0 163.2579 0 {} 0 0 0 63 {V537.HG21} 0.42230 0.03881 0.04080 ++ {0.0} {} {V537.CG1} 23.44283 0.07959 0.08349 ++ {0.0} {} 0.0 97.9305 0 {} 0 0 0 64 {V598.HG11} 0.55985 0.03881 0.04080 ++ {0.0} {} {V598.CG1} 23.55766 0.07959 0.08349 ++ {0.0} {} 0.0 97.9305 0 {} 0 0 0 65 {I482.HD21} 0.79460 0.05273 0.05702 ++ {0.0} {} {I482.CD2} 18.00912 0.29068 0.32395 ++ {0.0} {} 0.0 11.0402 0 {} 0 0 0 66 {V651.HG21} 0.90810 0.04710 0.05668 ++ {0.0} {} {V651.CG1} 21.55578 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0 67 {T564.HG21} 1.00124 0.04710 0.05668 ++ {0.0} {} {T564.CG2} 21.45953 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0 68 {V626.HG21} 0.80842 0.04710 0.05668 ++ {0.0} {} {V626.CG2} 22.18904 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0 69 {V508.HG21} 0.96529 0.04710 0.05668 ++ {0.0} {} {V508.CG2} 21.35863 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0 70 {V531.HG21} 0.98013 0.04710 0.05668 ++ {0.0} {} {V531.CG2} 21.28147 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0 71 {V469.HG11} 0.68064 0.04083 0.05942 ++ {0.0} {} {V469.CG1} 21.83557 0.14305 0.20386 ++ {0.0} {} 0.0 45.3283 0 {} 0 0 0 72 {V532.HG11} 0.97698 0.05011 0.06982 ++ {0.0} {} {V532.CG1} 22.05951 0.14069 0.18667 ++ {0.0} {} 0.0 43.6604 0 {} 0 0 0 73 {A607.HB1} 1.31991 0.04946 0.04161 ++ {0.0} {} {A607.CB} 21.99289 0.54703 0.49428 ++ {0.0} {} 0.0 6.6121 0 {} 0 0 0 74 {V513.HG21} 1.02819 0.03183 0.07386 ++ {0.0} {} {V513.CG2} 21.90261 0.09682 0.22325 ++ {0.0} {} 0.0 222.0680 0 {} 0 0 0 75 {L480.HD11} 0.11159 0.04087 0.07759 ++ {0.0} {} {L48.CD1} 20.86756 0.08771 0.20096 ++ {0.0} {} 0.0 131.2810 0 {} 0 0 0 76 {L627.HD21} 0.21770 0.03812 0.06102 ++ {0.0} {} {L627.CD2} 23.00363 0.10704 0.18048 ++ {0.0} {} 0.0 53.1351 0 {} 0 0 0 77 {L639.HD11} 0.46439 0.03881 0.05968 ++ {0.0} {} {L639.CD1} 23.51027 0.07959 0.12043 ++ {0.0} {} 0.0 97.9305 0 {} 0 0 0 78 {T579.HG21} 0.94476 0.03957 0.04450 ++ {0.0} {} {T579.CG2} 23.19726 0.16865 0.18315 ++ {0.0} {} 0.0 85.5536 0 {} 0 0 0 79 {V488.HG11} 0.89362 0.03957 0.04450 ++ {0.0} {} {V488.CG1} 23.18610 0.16865 0.18315 ++ {0.0} {} 0.0 85.5536 0 {} 0 0 0 80 {L538.HD21} 1.02501 0.03272 0.05686 ++ {0.0} {} {L538.CD1} 24.88012 0.09565 0.17251 ++ {0.0} {} 0.0 183.3560 0 {} 0 0 0 81 {V488.HG21} 0.49177 0.03972 0.06384 ++ {0.0} {} {V488.CG2} 22.40266 0.06674 0.10302 ++ {0.0} {} 0.0 163.2580 0 {} 0 0 0 82 {A568.HB1} 1.44437 0.05055 0.04902 ++ {0.0} {} {A568.CB} 19.25017 0.52953 0.51505 ++ {0.0} {} 0.0 4.9338 0 {} 0 0 0 83 {L463.HD11} 0.90242 0.04060 0.03759 ++ {0.0} {} {L463.CD1} 25.53703 0.12204 0.11357 ++ {0.0} {} 0.0 28.5366 0 {} 0 0 0 84 {V491.HG21} 0.94569 0.07628 0.10897 ++ {0.0} {} {V491.CG2} 21.33043 0.34395 0.18522 ++ {0.0} {} 0.0 23.8916 0 {} 0 0 0 85 {V492.HG21} 0.97367 0.03660 0.01792 ++ {0.0} {} {V492.CG2} 21.96157 0.16578 0.10117 ++ {0.0} {} 0.0 39.8126 0 {} 0 0 0 86 {L580.HD21} 0.97261 0.03054 0.08363 ++ {0.0} {} {L580.CD2} 23.58607 0.19381 0.34286 ++ {0.0} {} 0.0 207.4970 0 {} 0 0 0 87 {V502.HG21} 0.78949 0.03101 0.06672 ++ {0.0} {} {V502.CD2} 22.46524 0.12153 0.19904 ++ {0.0} {} 0.0 204.9550 0 {} 0 0 0 88 {V532.HG21} 0.79725 0.04083 0.03875 ++ {0.0} {} {V532.CG2} 22.24696 0.14305 0.13620 ++ {0.0} {} 0.0 45.3283 0 {} 0 0 0 89 {L639.HD11} 0.03559 0.04257 0.05340 ++ {0.0} {} {L639.CD1} 26.87885 0.07102 0.09376 ++ {0.0} {} 0.0 70.1462 0 {} 0 0 0 90 {V641.HG21} 0.41790 0.04234 0.06625 ++ {0.0} {} {V641.CG1} 21.76338 0.08317 0.15129 ++ {0.0} {} 0.0 329.2690 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 Proton . 'not observed' . ppm . . . . . . 53625 4 2 . . N 15 Nitrogen . 'not observed' . ppm . . . . . . 53625 4 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 53625 4 stop_ save_ save_spectral_peak_list_5 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_5 _Spectral_peak_list.Entry_ID 53625 _Spectral_peak_list.ID 5 _Spectral_peak_list.Name Fc_EEM_G1_3 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $sample_3 _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 13 _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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf HN 15N s25r001-10_trosy_DG2-274.nv 4204.64404297 2837.68408203 700.132995605 70.952003479 HN.L HN.P HN.W HN.B HN.E HN.J HN.U 15N.L 15N.P 15N.W 15N.B 15N.E 15N.J 15N.U vol int stat comment flag0 flag8 flag9 0 {L639.H} 9.14045 0.02779 0.05636 ++ {0.0} {} {L639.N} 133.90424 0.12316 0.34549 ++ {0.0} {} 0.0 57.2038 0 {} 0 0 0 1 {D509.H} 9.84925 0.02726 0.04590 ++ {0.0} {} {D509.N} 131.47621 0.13794 0.29100 ++ {0.0} {} 0.0 27.4212 0 {} 0 0 0 2 {K638.H} 9.46276 0.02584 0.03917 ++ {0.0} {} {K638.N} 131.20563 0.16694 0.29463 ++ {0.0} {} 0.0 21.7072 0 {} 0 0 0 3 {L597.H} 9.36179 0.02142 0.04945 ++ {0.0} {} {L597.N} 131.34659 0.10724 0.32386 ++ {0.0} {} 0.0 79.2329 0 {} 0 0 0 4 {C490.H} 10.01564 0.02955 0.04222 ++ {0.0} {} {C490.N} 130.79214 0.18964 0.29896 ++ {0.0} {} 0.0 17.3734 0 {} 0 0 0 5 {L535.H} 8.47443 0.02733 0.04482 ++ {0.0} {} {L535.N} 129.89842 0.16171 0.29789 ++ {0.0} {} 0.0 26.0978 0 {} 0 0 0 6 {E512.H} 8.81214 0.02149 0.04242 ++ {0.0} {} {E512.N} 129.34747 0.13148 0.31661 ++ {0.0} {} 0.0 38.5063 0 {} 0 0 0 7 {C596.H} 9.70273 0.02664 0.05422 ++ {0.0} {} {C596.N} 128.73419 0.15724 0.30856 ++ {0.0} {} 0.0 59.4315 0 {} 0 0 0 8 {D628.H} 9.52997 0.01979 0.03829 ++ {0.0} {} {D628.N} 128.74744 0.12013 0.31867 ++ {0.0} {} 0.0 54.7882 0 {} 0 0 0 9 {A568.H} 8.55624 0.02430 0.03850 ++ {0.0} {} {A568.N} 128.75673 0.18478 0.33555 ++ {0.0} {} 0.0 24.6933 0 {} 0 0 0 10 {L594.H} 9.22239 0.02240 0.05655 ++ {0.0} {} {L594.N} 128.52910 0.13073 0.34334 ++ {0.0} {} 0.0 65.0399 0 {} 0 0 0 11 {F652.H} 8.98228 0.02185 0.05079 ++ {0.0} {} {F652.N} 128.25752 0.14509 0.36293 ++ {0.0} {} 0.0 59.5688 0 {} 0 0 0 12 {K551.H} 9.04468 0.02966 0.04916 ++ {0.0} {} {K551.N} 128.33092 0.14681 0.28304 ++ {0.0} {} 0.0 22.4856 0 {} 0 0 0 13 {K519.H} 8.68134 0.03082 0.03479 ++ {0.0} {} {K519.N} 128.26846 0.16295 0.18867 ++ {0.0} {} 0.0 11.5166 0 {} 0 0 0 14 {V552.H} 9.13326 0.02650 0.04181 ++ {0.0} {} {V552.N} 128.30991 0.15291 0.27061 ++ {0.0} {} 0.0 19.7709 0 {} 0 0 0 15 {L627.H} 8.27234 0.02005 0.05132 ++ {0.0} {} {L627.N} 127.88671 0.12454 0.32182 ++ {0.0} {} 0.0 91.4695 0 {} 0 0 0 16 {R584.H} 8.96068 0.02544 0.05476 ++ {0.0} {} {R584.N} 127.61235 0.15817 0.49564 ++ {0.0} {} 0.0 75.6704 0 {} 0 0 0 17 {K643.H} 8.65698 0.02206 0.05223 ++ {0.0} {} {K643.N} 127.06602 0.13957 0.40048 ++ {0.0} {} 0.0 86.6778 0 {} 0 0 0 18 {V492.H} 9.24619 0.02867 0.03834 ++ {0.0} {} {V492.N} 126.95685 0.16818 0.24151 ++ {0.0} {} 0.0 15.4133 0 {} 0 0 0 19 {Y548.H} 9.05811 0.02317 0.03502 ++ {0.0} {} {Y548.N} 126.99244 0.15801 0.27202 ++ {0.0} {} 0.0 19.1031 0 {} 0 0 0 20 {V491.H} 9.46819 0.02682 0.04406 ++ {0.0} {} {V491.N} 126.73635 0.14770 0.28800 ++ {0.0} {} 0.0 26.5518 0 {} 0 0 0 21 {V532.H} 8.28294 0.03246 0.04413 ++ {0.0} {} {V532.N} 126.95309 0.15611 0.21716 ++ {0.0} {} 0.0 13.6938 0 {} 0 0 0 22 {E659.H} 8.64445 0.03234 0.04772 ++ {0.0} {} {E659.N} 126.40766 0.21430 0.31575 ++ {0.0} {} 0.0 19.6467 0 {} 0 0 0 23 {N613.H} 9.30413 0.02179 0.03695 ++ {0.0} {} {N613.N} 126.62080 0.30074 0.42963 ++ {0.0} {} 0.0 22.2388 0 {} 0 0 0 24 {E523.H} 8.99206 0.02615 0.03193 ++ {0.0} {} {E523.N} 126.24061 0.25098 0.30661 ++ {0.0} {} 0.0 12.9451 0 {} 0 0 0 25 {A607.H} 8.11115 0.02358 0.03982 ++ {0.0} {} {A607.N} 126.39595 0.20287 0.31047 ++ {0.0} {} 0.0 25.8989 0 {} 0 0 0 26 {V626.H} 9.18097 0.02573 0.04246 ++ {0.0} {} {V626.N} 126.20143 0.18552 0.27044 ++ {0.0} {} 0.0 22.6767 0 {} 0 0 0 27 {K503.H} 8.16961 0.03352 0.06071 ++ {0.0} {} {K503.N} 126.13493 0.16942 0.29358 ++ {0.0} {} 0.0 24.1366 0 {} 0 0 0 28 {K676.H} 7.66449 0.01775 0.04115 ++ {0.0} {} {K676.N} 125.81020 0.14003 0.50711 ++ {0.0} {} 0.0 291.2917 0 {} 0 0 0 29 {V531.H} 9.16549 0.02013 0.04404 ++ {0.0} {} {V531.N} 125.63221 0.10965 0.28199 ++ {0.0} {} 0.0 47.6316 -1 {} 0 0 0 30 {A460.H} 8.22043 0.02477 0.04811 ++ {0.0} {} {A460.N} 126.12822 0.15050 0.33937 ++ {0.0} {} 0.0 47.9727 0 {} 0 0 0 31 {V534.H} 8.66810 0.02809 0.06114 ++ {0.0} {} {V534.N} 125.83832 0.20395 0.54119 ++ {0.0} {} 0.0 47.7980 0 {} 0 0 0 32 {V531.H} 9.28557 0.03127 0.03715 ++ {0.0} {} {V531.N} 125.48894 0.26822 0.31274 ++ {0.0} {} 0.0 12.8766 0 {} 0 0 0 33 {E609.H} 8.84541 0.02418 0.05126 ++ {0.0} {} {E609.N} 125.74568 0.20774 0.44130 ++ {0.0} {} 0.0 71.6285 0 {} 0 0 0 34 {C550.H} 8.64175 0.02844 0.04790 ++ {0.0} {} {C550.N} 125.35877 0.16380 0.33116 ++ {0.0} {} 0.0 21.2259 0 {} 0 0 0 35 {T640.H} 8.16424 0.04410 0.06299 ++ {0.0} {} {T640.N} 125.47816 0.13220 0.33093 ++ {0.0} {} 0.0 63.8317 0 {} 0 0 0 36 {F470.H} 9.37270 0.02899 0.04601 ++ {0.0} {} {F470.N} 124.17885 0.15494 0.26927 ++ {0.0} {} 0.0 21.4745 0 {} 0 0 0 37 {L672.H} 8.69619 0.02543 0.07339 ++ {0.0} {} {L672.N} 124.74640 0.13132 0.33953 ++ {0.0} {} 0.0 65.2806 0 {} 0 0 0 38 {K567.H} 8.64674 0.04315 0.06164 ++ {0.0} {} {K567.N} 124.66833 0.24097 0.29567 ++ {0.0} {} 0.0 13.5469 0 {} 0 0 0 39 {Y578.H} 9.27684 0.02526 0.05535 ++ {0.0} {} {Y578.N} 124.55728 0.13942 0.43469 ++ {0.0} {} 0.0 82.0009 0 {} 0 0 0 40 {L580.H} 9.43914 0.01417 0.01113 ++ {0.0} {} {L580.N} 124.10309 0.17525 0.05055 ++ {0.0} {} 0.0 5.8467 0 {} 0 0 0 41 {A660.H} 10.38963 0.03001 0.04204 ++ {0.0} {} {A660.N} 124.25658 0.22293 0.30714 ++ {0.0} {} 0.0 17.2518 0 {} 0 0 0 42 {L670.H} 9.46876 0.02842 0.07664 ++ {0.0} {} {L670.N} 124.02315 0.16087 0.44908 ++ {0.0} {} 0.0 74.5453 0 {} 0 0 0 43 {E574.H} 8.56607 0.02432 0.04425 ++ {0.0} {} {E574.N} 124.06311 0.17100 0.30930 ++ {0.0} {} 0.0 40.6824 0 {} 0 0 0 44 {E562.H} 8.39114 0.02649 0.04910 ++ {0.0} {} {E562.N} 123.94926 0.20830 0.37282 ++ {0.0} {} 0.0 34.8924 0 {} 0 0 0 45 {V511.H} 7.93636 0.02361 0.03972 ++ {0.0} {} {V511.N} 123.83008 0.20324 0.30881 ++ {0.0} {} 0.0 28.5726 0 {} 0 0 0 46 {K549.H} 9.36916 0.02502 0.04395 ++ {0.0} {} {K549.N} 123.64664 0.18006 0.29201 ++ {0.0} {} 0.0 22.8751 0 {} 0 0 0 47 {S655.H} 8.77175 0.02534 0.03890 ++ {0.0} {} {S655.N} 123.83643 0.23680 0.36992 ++ {0.0} {} 0.0 24.1335 0 {} 0 0 0 48 {A516.H} 7.97604 0.02785 0.03469 ++ {0.0} {} {A516.N} 123.58143 0.22189 0.27607 ++ {0.0} {} 0.0 13.0429 0 {} 0 0 0 49 {V656.H} 8.37006 0.02107 0.04408 ++ {0.0} {} {V656.N} 123.53810 0.14692 0.24778 ++ {0.0} {} 0.0 30.1073 0 {} 0 0 0 50 {L471.H} 8.16438 0.02730 0.07103 ++ {0.0} {} {L471.N} 123.43433 0.20765 0.52585 ++ {0.0} {} 0.0 54.9855 0 {} 0 0 0 51 {I606.H} 7.87831 0.02515 0.04672 ++ {0.0} {} {I606.N} 123.44241 0.17176 0.32011 ++ {0.0} {} 0.0 30.2199 0 {} 0 0 0 52 {E617.H} 8.15419 0.02622 0.04516 ++ {0.0} {} {E617.N} 123.34152 0.19131 0.31603 ++ {0.0} {} 0.0 28.3966 0 {} 0 0 0 53 {M657.H} 8.68570 0.02725 0.05088 ++ {0.0} {} {M657.N} 123.45012 0.21277 0.32395 ++ {0.0} {} 0.0 25.3446 0 {} 0 0 0 54 {D642.H} 8.43208 0.03390 0.04843 ++ {0.0} {} {D642.N} 123.39074 0.18909 0.46464 ++ {0.0} {} 0.0 59.8412 0 {} 0 0 0 55 {W506.H} 8.78844 0.02495 0.05313 ++ {0.0} {} {W506.N} 122.77338 0.19350 0.85433 ++ {0.0} {} 0.0 66.7781 0 {} 0 0 0 56 {K599.H} 9.29203 0.02495 0.05449 ++ {0.0} {} {K599.N} 122.71881 0.13223 0.40644 ++ {0.0} {} 0.0 45.4572 0 {} 0 0 0 57 {I482.H} 8.15625 0.02780 0.04617 ++ {0.0} {} {I482.N} 122.69131 0.25332 0.41640 ++ {0.0} {} 0.0 23.0673 0 {} 0 0 0 58 {L464.H} 8.01971 0.02996 0.06052 ++ {0.0} {} {L464.N} 123.52728 0.22111 0.47906 ++ {0.0} {} 0.0 28.8159 0 {} 0 0 0 59 {R521.H} 8.40895 0.02805 0.04861 ++ {0.0} {} {R521.N} 122.31071 0.23639 0.34785 ++ {0.0} {} 0.0 25.6605 0 {} 0 0 0 60 {V577.H} 7.75085 0.02502 0.07548 ++ {0.0} {} {V577.N} 122.30382 0.18643 0.48234 ++ {0.0} {} 0.0 116.3260 0 {} 0 0 0 61 {R573.H} 9.35533 0.02623 0.03697 ++ {0.0} {} {R573.N} 122.16776 0.21884 0.27606 ++ {0.0} {} 0.0 16.4367 0 {} 0 0 0 62 {E522.H} 8.75348 0.02293 0.03300 ++ {0.0} {} {E522.N} 121.58276 0.24400 0.33557 ++ {0.0} {} 0.0 16.2272 0 {} 0 0 0 63 {L463.H} 8.00541 0.04250 0.03381 ++ {0.0} {} {L463.N} 121.88654 0.28957 0.21281 ++ {0.0} {} 0.0 8.5694 0 {} 0 0 0 64 {K589.H} 7.87649 0.02653 0.07621 ++ {0.0} {} {K589.N} 122.34538 0.18048 0.57332 ++ {0.0} {} 0.0 109.4875 0 {} 0 0 0 65 {K563.H} 8.62332 0.02654 0.04613 ++ {0.0} {} {K563.N} 122.39010 0.17759 0.33249 ++ {0.0} {} 0.0 26.5163 0 {} 0 0 0 66 {L538.H} 8.31079 0.02836 0.05117 ++ {0.0} {} {L538.N} 122.41140 0.23422 0.40008 ++ {0.0} {} 0.0 28.6353 0 {} 0 0 0 67 {V495.H} 8.02159 0.02788 0.06230 ++ {0.0} {} {V495.N} 122.99982 0.25169 0.42569 ++ {0.0} {} 0.0 26.7105 0 {} 0 0 0 68 {Q571.H} 8.12544 0.03097 0.05570 ++ {0.0} {} {Q571.N} 122.22921 0.25692 0.45319 ++ {0.0} {} 0.0 38.1180 0 {} 0 0 0 69 {V608.H} 8.06871 0.03390 0.04843 ++ {0.0} {} {V608.N} 122.12251 0.23803 0.36989 ++ {0.0} {} 0.0 31.3572 0 {} 0 0 0 70 {I561.H} 8.33810 0.03537 0.05452 ++ {0.0} {} {I561.N} 122.11000 0.08314 0.28158 ++ {0.0} {} 0.0 20.4277 0 {} 0 0 0 71 {V508.H} 8.90822 0.02324 0.04212 ++ {0.0} {} {V508.N} 121.80678 0.20573 0.29953 ++ {0.0} {} 0.0 25.8819 0 {} 0 0 0 72 {V469.H} 7.98529 0.02519 0.04607 ++ {0.0} {} {V469.N} 122.53092 0.25889 0.38580 ++ {0.0} {} 0.0 20.8089 0 {} 0 0 0 73 {F504.H} 8.58725 0.02287 0.03765 ++ {0.0} {} {F504.N} 121.72823 0.24532 0.42409 ++ {0.0} {} 0.0 21.4284 0 {} 0 0 0 74 {E586.H} 7.47886 0.02397 0.06173 ++ {0.0} {} {E586.N} 121.63067 0.18554 0.47594 ++ {0.0} {} 0.0 71.9620 0 {} 0 0 0 75 {I565.H} 9.31955 0.02448 0.04135 ++ {0.0} {} {I565.N} 121.33442 0.17876 0.29895 ++ {0.0} {} 0.0 30.2781 0 {} 0 0 0 76 {T666.H} 8.29795 0.03420 0.05735 ++ {0.0} {} {T666.N} 121.49319 0.30811 0.50835 ++ {0.0} {} 0.0 23.2107 0 {} 0 0 0 77 {V651.H} 8.21564 0.02506 0.06520 ++ {0.0} {} {V651.N} 121.08987 0.14612 0.39003 ++ {0.0} {} 0.0 105.9092 0 {} 0 0 0 78 {T622.H} 9.01072 0.02764 0.05186 ++ {0.0} {} {T622.N} 120.94097 0.26429 0.42041 ++ {0.0} {} 0.0 30.8056 0 {} 0 0 0 79 {C458.H} 8.52861 0.02407 0.04489 ++ {0.0} {} {C458.N} 121.09138 0.24271 0.48323 ++ {0.0} {} 0.0 41.6471 0 {} 0 0 0 80 {S533.H} 8.88990 0.02328 0.04843 ++ {0.0} {} {S533.N} 120.38503 0.11674 0.30796 ++ {0.0} {} 0.0 56.5284 0 {} 0 0 0 81 {N505.H} 9.21401 0.02322 0.03456 ++ {0.0} {} {N505.N} 120.51871 0.18989 0.28362 ++ {0.0} {} 0.0 17.9651 0 {} 0 0 0 82 {Q576.H} 8.97357 0.03268 0.04668 ++ {0.0} {} {Q576.N} 120.81364 0.22362 0.40305 ++ {0.0} {} 0.0 29.9603 0 {} 0 0 0 83 {K569.H} 8.28982 0.02676 0.04960 ++ {0.0} {} {K569.N} 120.87717 0.24021 0.42653 ++ {0.0} {} 0.0 33.3687 0 {} 0 0 0 84 {N554.H} 8.07263 0.02672 0.03786 ++ {0.0} {} {N554.N} 120.88270 0.34500 0.51874 ++ {0.0} {} 0.0 17.7264 0 {} 0 0 0 85 {N619.H} 8.40435 0.03098 0.03870 ++ {0.0} {} {N619.N} 120.59629 0.28689 0.35231 ++ {0.0} {} 0.0 14.1264 0 {} 0 0 0 86 {V537.H} 7.83099 0.02793 0.04881 ++ {0.0} {} {V537.N} 120.40925 0.19631 0.38279 ++ {0.0} {} 0.0 28.5374 0 {} 0 0 0 87 {K517.H} 8.53136 0.03304 0.08033 ++ {0.0} {} {K517.N} 120.07169 0.25093 0.55656 ++ {0.0} {} 0.0 32.2197 0 {} 0 0 0 88 {V488.H} 8.49730 0.03402 0.07143 ++ {0.0} {} {V488.N} 120.26132 0.24324 0.43197 ++ {0.0} {} 0.0 32.6456 0 {} 0 0 0 89 {Q667.H} 7.62877 0.02120 0.04316 ++ {0.0} {} {Q667.N} 120.39797 0.23308 0.41110 ++ {0.0} {} 0.0 31.0230 0 {} 0 0 0 90 {D605.H} 6.75756 0.03973 0.05595 ++ {0.0} {} {D605.N} 120.50291 0.19034 0.28108 ++ {0.0} {} 0.0 16.5828 0 {} 0 0 0 91 {R530.H} 8.73992 0.02840 0.04436 ++ {0.0} {} {R530.N} 120.30693 0.17314 0.27897 ++ {0.0} {} 0.0 20.9014 0 {} 0 0 0 92 {R645.H} 7.39001 0.02427 0.06446 ++ {0.0} {} {R645.N} 120.22736 0.18722 0.36855 ++ {0.0} {} 0.0 59.0686 0 {} 0 0 0 93 {Y525.H} 8.29394 0.02663 0.05741 ++ {0.0} {} {Y525.N} 119.87019 0.18047 0.29452 ++ {0.0} {} 0.0 39.8934 0 {} 0 0 0 94 {Q615.H} 7.91141 0.02237 0.04959 ++ {0.0} {} {Q615.N} 119.85921 0.11865 0.34282 ++ {0.0} {} 0.0 72.5574 0 {} 0 0 0 95 {H658.H} 7.10871 0.02766 0.04750 ++ {0.0} {} {H658.N} 120.16756 0.16431 0.28639 ++ {0.0} {} 0.0 24.3050 0 {} 0 0 0 96 {Y602.H} 8.26444 0.04746 0.06780 ++ {0.0} {} {Y602.N} 119.85152 0.24726 0.30439 ++ {0.0} {} 0.0 13.7889 0 {} 0 0 0 97 {D541.H} 6.98046 0.03160 0.05780 ++ {0.0} {} {D541.N} 119.73631 0.13884 0.39102 ++ {0.0} {} 0.0 46.6667 0 {} 0 0 0 98 {K621.H} 8.46702 0.02790 0.06471 ++ {0.0} {} {K621.N} 119.34922 0.30074 0.42963 ++ {0.0} {} 0.0 38.4008 0 {} 0 0 0 99 {W646.H} 7.44147 0.02914 0.05766 ++ {0.0} {} {W646.N} 119.37397 0.15121 0.30794 ++ {0.0} {} 0.0 42.3266 0 {} 0 0 0 100 {V641.H} 8.42966 0.02665 0.05279 ++ {0.0} {} {V641.N} 119.87241 0.16831 0.30946 ++ {0.0} {} 0.0 45.5358 0 {} 0 0 0 101 {V513.H} 8.13006 0.03036 0.04808 ++ {0.0} {} {V513.N} 118.85013 0.22781 0.36077 ++ {0.0} {} 0.0 20.9090 0 {} 0 0 0 102 {T489.H} 7.92285 0.02728 0.04764 ++ {0.0} {} {T489.N} 119.43298 0.24842 0.35365 ++ {0.0} {} 0.0 19.7329 0 {} 0 0 0 103 {E547.H} 8.48007 0.01894 0.05359 ++ {0.0} {} {E547.N} 119.17991 0.19571 0.46789 ++ {0.0} {} 0.0 58.3592 0 {} 0 0 0 104 {M481.H} 7.24344 0.02687 0.04220 ++ {0.0} {} {M481.N} 118.98758 0.19507 0.31705 ++ {0.0} {} 0.0 22.6302 0 {} 0 0 0 105 {W542.H} 7.61417 0.03138 0.05109 ++ {0.0} {} {W542.N} 118.53418 0.20490 0.39506 ++ {0.0} {} 0.0 26.3204 0 {} 0 0 0 106 {S673.H} 8.07202 0.02304 0.05461 ++ {0.0} {} {S673.N} 118.76385 0.19023 0.63927 ++ {0.0} {} 0.0 129.4164 0 {} 0 0 0 107 {Y665.H} 7.31196 0.02754 0.05010 ++ {0.0} {} {Y665.N} 118.48941 0.18860 0.34104 ++ {0.0} {} 0.0 29.3102 0 {} 0 0 0 108 {K546.H} 7.36761 0.03666 0.06780 ++ {0.0} {} {K546.N} 118.36443 0.27243 0.40186 ++ {0.0} {} 0.0 21.1504 0 {} 0 0 0 109 {A559.H} 7.25572 0.03025 0.04637 ++ {0.0} {} {A559.N} 118.41140 0.23422 0.33110 ++ {0.0} {} 0.0 20.4332 0 {} 0 0 0 110 {S553.H} 8.31925 0.02983 0.04744 ++ {0.0} {} {S553.N} 118.44476 0.20544 0.31181 ++ {0.0} {} 0.0 20.5446 0 {} 0 0 0 111 {S669.H} 8.56031 0.02529 0.05151 ++ {0.0} {} {S669.N} 118.16062 0.20006 0.50142 ++ {0.0} {} 0.0 62.8258 0 {} 0 0 0 112 {Q591.H} 7.40362 0.02695 0.05705 ++ {0.0} {} {Q591.N} 118.11229 0.13062 0.56348 ++ {0.0} {} 0.0 89.0344 0 {} 0 0 0 113 {T623.H} 9.52483 0.02530 0.04767 ++ {0.0} {} {T623.N} 118.16090 0.12656 0.30307 ++ {0.0} {} 0.0 54.5429 0 {} 0 0 0 114 {S496.H} 8.30032 0.03122 0.03350 ++ {0.0} {} {S496.N} 118.17007 0.25012 0.26559 ++ {0.0} {} 0.0 10.9897 0 {} 0 0 0 115 {E611.H} 9.06668 0.02260 0.04457 ++ {0.0} {} {E611.N} 118.38155 0.14964 0.30659 ++ {0.0} {} 0.0 54.0205 0 {} 0 0 0 116 {T595.H} 7.86608 0.02514 0.05649 ++ {0.0} {} {T595.N} 117.63988 0.15549 0.34091 ++ {0.0} {} 0.0 46.6462 0 {} 0 0 0 117 {E487.H} 7.69829 0.02190 0.04089 ++ {0.0} {} {E487.N} 117.60114 0.19030 0.30853 ++ {0.0} {} 0.0 31.2407 0 {} 0 0 0 118 {D630.H} 7.59071 0.03114 0.06341 ++ {0.0} {} {D630.N} 117.55647 0.14663 0.47594 ++ {0.0} {} 0.0 61.7915 0 {} 0 0 0 119 {L480.H} 7.22207 0.03387 0.04140 ++ {0.0} {} {L480.N} 117.51907 0.19235 0.24696 ++ {0.0} {} 0.0 12.6607 0 {} 0 0 0 120 {S583.H} 8.86743 0.02831 0.06217 ++ {0.0} {} {S583.N} 117.24485 0.13627 0.36252 ++ {0.0} {} 0.0 46.9384 0 {} 0 0 0 121 {E585.H} 8.51506 0.02398 0.05551 ++ {0.0} {} {E585.N} 117.27639 0.16712 0.46763 ++ {0.0} {} 0.0 65.3511 0 {} 0 0 0 122 {Y507.H} 9.13937 0.02634 0.03678 ++ {0.0} {} {Y507.N} 116.58681 0.17451 0.26421 ++ {0.0} {} 0.0 16.3092 0 {} 0 0 0 123 {L661.H} 7.17161 0.02431 0.04019 ++ {0.0} {} {L661.N} 116.52348 0.16625 0.29482 ++ {0.0} {} 0.0 28.5147 0 {} 0 0 0 124 {S629.H} 9.77298 0.03377 0.06702 ++ {0.0} {} {S629.N} 116.18565 0.16005 0.47548 ++ {0.0} {} 0.0 54.3088 0 {} 0 0 0 125 {N515.H} 8.07880 0.03379 0.02674 ++ {0.0} {} {N515.N} 115.69405 0.29816 0.23823 ++ {0.0} {} 0.0 8.0395 0 {} 0 0 0 126 {N650.H} 6.80253 0.02757 0.05794 ++ {0.0} {} {N650.N} 116.05579 0.15026 0.46506 ++ {0.0} {} 0.0 53.9619 0 {} 0 0 0 127 {N618.H} 8.64447 0.02852 0.06002 ++ {0.0} {} {N618.N} 115.72792 0.18811 0.37738 ++ {0.0} {} 0.0 38.6016 0 {} 0 0 0 128 {N544.H} 7.90999 0.02822 0.04171 ++ {0.0} {} {N544.N} 115.78100 0.24186 0.34035 ++ {0.0} {} 0.0 19.7001 0 {} 0 0 0 129 {S671.H} 8.19019 0.02773 0.05620 ++ {0.0} {} {S671.N} 115.23183 0.27895 0.52754 ++ {0.0} {} 0.0 63.3201 0 {} 0 0 0 130 {Q647.H} 8.58652 0.04015 0.07313 ++ {0.0} {} {Q647.N} 115.59634 0.13668 0.32077 ++ {0.0} {} 0.0 36.7594 0 {} 0 0 0 131 {T485.H} 8.34471 0.02665 0.04902 ++ {0.0} {} {T485.N} 115.31713 0.15907 0.36539 ++ {0.0} {} 0.0 35.8002 0 {} 0 0 0 132 {Y636.H} 8.05021 0.02120 0.05079 ++ {0.0} {} {Y636.N} 115.71090 0.17351 0.40330 ++ {0.0} {} 0.0 59.5775 0 {} 0 0 0 133 {K477.H} 8.73419 0.03488 0.05319 ++ {0.0} {} {K477.N} 115.37452 0.19303 0.28545 ++ {0.0} {} 0.0 18.1833 0 {} 0 0 0 134 {Y620.H} 7.50464 0.02751 0.05789 ++ {0.0} {} {Y620.N} 115.31647 0.14161 0.43128 ++ {0.0} {} 0.0 79.1520 0 {} 0 0 0 135 {Q648.H} 7.61253 0.02569 0.06773 ++ {0.0} {} {Q648.N} 115.19557 0.18838 0.57160 ++ {0.0} {} 0.0 57.5473 0 {} 0 0 0 136 {S566.H} 7.63469 0.02670 0.04729 ++ {0.0} {} {S566.N} 115.01163 0.17566 0.40087 ++ {0.0} {} 0.0 30.0380 0 {} 0 0 0 137 {W610.H} 6.10455 0.03441 0.04101 ++ {0.0} {} {W610.N} 114.78341 0.21279 0.26816 ++ {0.0} {} 0.0 12.6599 0 {} 0 0 0 138 {L635.H} 9.56455 0.02278 0.05538 ++ {0.0} {} {L635.N} 114.87589 0.15833 0.34048 ++ {0.0} {} 0.0 72.2669 0 {} 0 0 0 139 {S593.H} 8.75334 0.02272 0.05055 ++ {0.0} {} {S593.N} 114.81459 0.15873 0.45105 ++ {0.0} {} 0.0 52.9959 0 {} 0 0 0 140 {S637.H} 9.28922 0.02382 0.04821 ++ {0.0} {} {S637.N} 114.39574 0.15711 0.32541 ++ {0.0} {} 0.0 48.1511 0 {} 0 0 0 141 {N590.H} 8.31788 0.02655 0.05164 ++ {0.0} {} {N590.N} 113.95778 0.22738 0.45129 ++ {0.0} {} 0.0 32.1814 0 {} 0 0 0 142 {D478.H} 6.78711 0.03020 0.03531 ++ {0.0} {} {D478.N} 113.84820 0.22100 0.26269 ++ {0.0} {} 0.0 12.7945 0 {} 0 0 0 143 {Q540.H} 9.07725 0.02778 0.04439 ++ {0.0} {} {Q540.N} 113.12432 0.16826 0.34776 ++ {0.0} {} 0.0 24.2122 0 {} 0 0 0 144 {S644.H} 8.73673 0.02571 0.05162 ++ {0.0} {} {S644.N} 113.40629 0.21901 0.55502 ++ {0.0} {} 0.0 66.8198 0 {} 0 0 0 145 {S612.H} 8.93059 0.03079 0.05502 ++ {0.0} {} {S612.N} 113.17371 0.15259 0.30283 ++ {0.0} {} 0.0 56.3234 0 {} 0 0 0 146 {T564.H} 8.16462 0.02522 0.04114 ++ {0.0} {} {T564.N} 112.92759 0.20192 0.36953 ++ {0.0} {} 0.0 30.1256 0 {} 0 0 0 147 {M587.H} 7.15759 0.02550 0.05557 ++ {0.0} {} {M587.N} 112.21655 0.19303 0.49015 ++ {0.0} {} 0.0 67.2463 0 {} 0 0 0 148 {S483.H} 7.52156 0.03127 0.04333 ++ {0.0} {} {S483.N} 112.03421 0.26532 0.37024 ++ {0.0} {} 0.0 16.1700 0 {} 0 0 0 149 {T579.H} 8.63389 0.02446 0.06116 ++ {0.0} {} {T579.N} 111.91270 0.12262 0.46552 ++ {0.0} {} 0.0 91.2589 0 {} 0 0 0 150 {S604.H} 8.19451 0.03102 0.03642 ++ {0.0} {} {S604.N} 111.82097 0.26418 0.29742 ++ {0.0} {} 0.0 12.2789 0 {} 0 0 0 151 {F634.H} 8.68961 0.02886 0.05573 ++ {0.0} {} {F634.N} 111.77279 0.13568 0.31820 ++ {0.0} {} 0.0 45.7030 0 {} 0 0 0 152 {F601.H} 7.74779 0.02651 0.04927 ++ {0.0} {} {F601.N} 111.36040 0.17212 0.33623 ++ {0.0} {} 0.0 38.6574 0 {} 0 0 0 153 {V592.H} 8.60654 0.02175 0.05160 ++ {0.0} {} {V592.N} 111.11776 0.12085 0.45635 ++ {0.0} {} 0.0 93.3604 0 {} 0 0 0 154 {G600.H} 8.28506 0.01800 0.03646 ++ {0.0} {} {G600.N} 111.15298 0.18681 0.36460 ++ {0.0} {} 0.0 41.4531 0 {} 0 0 0 155 {S527.H} 8.07443 0.03000 0.03017 ++ {0.0} {} {S527.N} 110.95270 0.29553 0.29714 ++ {0.0} {} 0.0 10.0618 0 {} 0 0 0 156 {G570.H} 8.38630 0.02566 0.04388 ++ {0.0} {} {G570.N} 110.81726 0.22734 0.42235 ++ {0.0} {} 0.0 29.5693 0 {} 0 0 0 157 {G675.H} 8.27197 0.01812 0.04891 ++ {0.0} {} {G675.N} 109.33560 0.16469 0.58145 ++ {0.0} {} 0.0 152.3505 0 {} 0 0 0 158 {G465.H} 8.18356 0.02589 0.04475 ++ {0.0} {} {G465.N} 109.23997 0.16324 0.41195 ++ {0.0} {} 0.0 26.7027 0 {} 0 0 0 159 {H664.H} 8.42704 0.03089 0.03537 ++ {0.0} {} {H664.N} 108.70360 0.17811 0.22711 ++ {0.0} {} 0.0 11.8771 0 {} 0 0 0 160 {G466.H} 7.80522 0.02923 0.01510 ++ {0.0} {} {G466.N} 108.22519 0.15373 0.06824 ++ {0.0} {} 0.0 6.4262 0 {} 0 0 0 161 {T588.H} 7.05419 0.02620 0.05533 ++ {0.0} {} {T588.N} 107.80208 0.13973 0.43617 ++ {0.0} {} 0.0 58.6134 0 {} 0 0 0 162 {G631.H} 7.67568 0.02023 0.05235 ++ {0.0} {} {G631.N} 107.54619 0.14959 0.43850 ++ {0.0} {} 0.0 71.2977 0 {} 0 0 0 163 {G545.H} 7.69340 0.02772 0.04205 ++ {0.0} {} {G545.N} 107.02314 0.16594 0.29117 ++ {0.0} {} 0.0 20.4159 0 {} 0 0 0 164 {T479.H} 7.06697 0.02955 0.02633 ++ {0.0} {} {T479.N} 104.59542 0.18507 0.16084 ++ {0.0} {} 0.0 9.0017 0 {} 0 0 0 165 {G649.H} 7.47080 0.02214 0.05444 ++ {0.0} {} {G649.N} 104.82100 0.18610 0.44018 ++ {0.0} {} 0.0 56.6359 0 {} 0 0 0 166 {G614.H} 8.64471 0.02067 0.04465 ++ {0.0} {} {G614.N} 103.67221 0.16340 0.39539 ++ {0.0} {} 0.0 72.2687 0 {} 0 0 0 167 {G510.H} 8.95908 0.02376 0.03911 ++ {0.0} {} {G510.N} 102.06772 0.16728 0.28746 ++ {0.0} {} 0.0 28.3953 0 {} 0 0 0 168 {S468.H} 8.07578 0.04009 0.04180 ++ {0.0} {} {S468.N} 114.24934 0.26696 0.27580 ++ {0.0} {} 0.0 4.2968 0 {} 0 0 0 169 {F633.H} 8.66492 0.02852 0.07694 ++ {0.0} {} {F633.N} 115.62331 0.18811 0.50160 ++ {0.0} {} 0.0 38.6016 0 {} 0 0 0 170 {N663.H} 9.01477 0.03727 0.02881 ++ {0.0} {} {N663.N} 121.79025 0.19379 0.28126 ++ {0.0} {} 0.0 3.0546 0 {} 0 0 0 171 {Y578.H} 9.28885 0.02526 0.07201 ++ {0.0} {} {Y578.N} 124.40513 0.13942 0.64295 ++ {0.0} {} 0.0 82.0009 0 {} 0 0 0 172 {H662.H} 9.27873 0.03127 0.05781 ++ {0.0} {} {H662.N} 125.21728 0.26822 0.43947 ++ {0.0} {} 0.0 12.8766 0 {} 0 0 0 173 {C654.H} 8.66808 0.03234 0.05752 ++ {0.0} {} {C654.N} 126.02776 0.21430 0.39996 ++ {0.0} {} 0.0 19.6467 0 {} 0 0 0 174 {Q524.H} 8.77951 0.02534 0.05273 ++ {0.0} {} {Q524.H} 123.01656 0.23680 0.45710 ++ {0.0} {} 0.0 24.1335 0 {} 0 0 0 175 {H539.H} 8.93260 0.04130 0.03906 ++ {0.0} {} {H539.N} 123.09621 0.36071 0.33620 ++ {0.0} {} 0.0 3.0965 0 {} 0 0 0 176 {H514.H} 8.76351 0.03329 0.02582 ++ {0.0} {} {H514.N} 118.27260 0.30788 0.23220 ++ {0.0} {} 0.0 4.0159 0 {} 0 0 0 177 {T518.H} 8.58673 0.02287 0.05089 ++ {0.0} {} {T518.N} 122.03177 0.25596 0.66120 ++ {0.0} {} 0.0 21.4284 0 {} 0 0 0 178 {E462.H} 8.46455 0.02721 0.04668 ++ {0.0} {} {E462.N} 119.65082 0.19706 0.43160 ++ {0.0} {} 0.0 81.1261 0 {} 0 0 0 179 {V598.H} 8.25568 0.02005 0.03628 ++ {0.0} {} {V598.N} 127.10929 0.12454 0.25596 ++ {0.0} {} 0.0 91.4695 0 {} 0 0 0 180 {R484.H} 7.74894 0.02502 0.03927 ++ {0.0} {} {R484.N} 122.67133 0.18643 0.29663 ++ {0.0} {} 0.0 116.3260 0 {} 0 0 0 181 {T528.H} 7.05950 0.05758 0.06040 ++ {0.0} {} {T528.N} 108.87343 0.38209 0.40280 ++ {0.0} {} 0.0 1.4225 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 Proton . 'not observed' . ppm . . . . . . 53625 5 2 . . N 15 Nitrogen . 'not observed' . ppm . . . . . . 53625 5 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 53625 5 stop_ save_ save_spectral_peak_list_6 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_6 _Spectral_peak_list.Entry_ID 53625 _Spectral_peak_list.ID 6 _Spectral_peak_list.Name C_Fc_EEM_G1_3 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $sample_3 _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 14 _Spectral_peak_list.Experiment_name '2D 1H-13C 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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 1H 13C s25r001-11_Chsqc_DG2-274.nv 2811.97680664 4238.30175781 700.132995605 176.050994873 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U 13C.L 13C.P 13C.W 13C.B 13C.E 13C.J 13C.U vol int stat comment flag0 flag8 flag9 0 {A660.HB1} 1.63742 0.04692 0.02861 ++ {0.0} {} {A660.CB} 19.22915 0.50620 0.40894 ++ {0.0} {} 0.0 7.0436 0 {} 0 0 0 1 {T588.HG21} 1.28104 0.03434 0.01527 ++ {0.0} {} {T588.CG2} 21.94005 0.40727 0.26296 ++ {0.0} {} 0.0 6.4300 0 {} 0 0 0 2 {V531.HG11} 1.23515 0.03718 0.07965 ++ {0.0} {} {V531.CG1} 22.47986 0.09960 0.24302 ++ {0.0} {} 0.0 50.5073 0 {} 0 0 0 3 {L670.HD11} 1.10650 0.04124 0.06917 ++ {0.0} {} {L670.CD1} 24.73262 0.16399 0.27265 ++ {0.0} {} 0.0 35.6864 0 {} 0 0 0 4 {L670.HD21} 1.11248 0.02717 0.06448 ++ {0.0} {} {L670.CD2} 26.44028 0.09112 0.23871 ++ {0.0} {} 0.0 90.2452 0 {} 0 0 0 5 {I565.HD11} 1.06175 0.03559 0.07175 ++ {0.0} {} {I565.CD1} 14.91847 0.07907 0.23370 ++ {0.0} {} 0.0 76.5008 0 {} 0 0 0 6 {L471.HD21} 1.02059 0.03272 0.09033 ++ {0.0} {} {L471.CD2} 24.92116 0.09565 0.22198 ++ {0.0} {} 0.0 183.3565 0 {} 0 0 0 7 {V491.HG11} 1.09088 0.03660 0.08562 ++ {0.0} {} {V491.CG1} 22.37252 0.16578 0.31359 ++ {0.0} {} 0.0 39.8126 0 {} 0 0 0 8 {V511.HG11} 1.01235 0.04879 0.04583 ++ {0.0} {} {V511.CG1} 21.06318 0.15414 0.14790 ++ {0.0} {} 0.0 9.5090 0 {} 0 0 0 9 {T536.HG21} 1.03472 0.05118 0.18376 ++ {0.0} {} {T536.CG2} 21.85148 0.14069 0.22111 ++ {0.0} {} 0.0 43.6604 0 {} 0 0 0 10 {T666.HG21} 0.97421 0.06205 0.01283 ++ {0.0} {} {T666.CG2} 19.63786 0.19749 0.05918 ++ {0.0} {} 0.0 5.6246 0 {} 0 0 0 11 {L580.HD11} 0.96353 0.03305 0.08202 ++ {0.0} {} {L580.CD1} 26.84411 0.07106 0.20127 ++ {0.0} {} 0.0 126.9544 0 {} 0 0 0 12 {L538.HD11} 0.95646 0.03054 0.08562 ++ {0.0} {} {L538.CD1} 23.82513 0.19381 0.45103 ++ {0.0} {} 0.0 207.4971 0 {} 0 0 0 13 {L464.HD11} 0.91053 0.05119 0.17851 ++ {0.0} {} {L463.CD1} 25.11857 0.14789 0.88402 ++ {0.0} {} 0.0 239.1225 0 {} 0 0 0 14 {V492.HG11} 0.95866 0.03904 0.08644 ++ {0.0} {} {V492.CG1} 23.59284 0.12726 0.24056 ++ {0.0} {} 0.0 123.1249 0 {} 0 0 0 15 {V511.HG21} 0.93871 0.04428 0.11987 ++ {0.0} {} {V511.CG2} 21.82367 0.09682 0.25539 ++ {0.0} {} 0.0 222.0678 0 {} 0 0 0 16 {L463.HD21} 0.85776 0.03975 0.09617 ++ {0.0} {} {L463.CD2} 23.86655 0.22551 0.32216 ++ {0.0} {} 0.0 149.6751 0 {} 0 0 0 17 {L661.HD21} 0.89786 0.03957 0.11987 ++ {0.0} {} {L661.CD2} 23.24757 0.16865 0.28964 ++ {0.0} {} 0.0 85.5536 0 {} 0 0 0 18 {L464.HD21} 0.85975 0.04447 0.11987 ++ {0.0} {} {L464.CD2} 23.74789 0.12227 0.25383 ++ {0.0} {} 0.0 194.3369 0 {} 0 0 0 19 {L543.HD21} 0.85982 0.03101 0.14488 ++ {0.0} {} {L543.CD2} 22.38717 0.12153 0.22402 ++ {0.0} {} 0.0 204.9551 0 {} 0 0 0 20 {L471.HD11} 0.80567 0.04949 0.08839 ++ {0.0} {} {L471.CD1} 27.63485 0.16357 0.23626 ++ {0.0} {} 0.0 29.6506 0 {} 0 0 0 21 {L543.HD11} 0.83857 0.04060 0.06957 ++ {0.0} {} {L543.CD1} 25.50418 0.12204 0.21822 ++ {0.0} {} 0.0 28.5366 0 {} 0 0 0 22 {V626.HG11} 0.83741 0.04332 0.12307 ++ {0.0} {} {V626.CG1} 21.90599 0.13322 0.30154 ++ {0.0} {} 0.0 182.5475 0 {} 0 0 0 23 {L635.HD21} 0.81046 0.03377 0.08329 ++ {0.0} {} {L635.CD2} 28.13422 0.08517 0.22999 ++ {0.0} {} 0.0 149.2362 0 {} 0 0 0 24 {V534.HG21} 0.80651 0.03973 0.10091 ++ {0.0} {} {V534.CG2} 21.12123 0.13389 0.24634 ++ {0.0} {} 0.0 102.3286 0 {} 0 0 0 25 {A516.HB1} 0.77558 0.05877 0.06880 ++ {0.0} {} {A516.CB} 19.90791 0.17657 0.19391 ++ {0.0} {} 0.0 11.4579 0 {} 0 0 0 26 {I561.HD11} 0.80294 0.03531 0.07235 ++ {0.0} {} {I561.CD1} 14.07716 0.15372 0.34969 ++ {0.0} {} 0.0 48.3795 0 {} 0 0 0 27 {V513.HG11} 0.77368 0.04455 0.07970 ++ {0.0} {} {V513.CG1} 19.76126 0.14323 0.23191 ++ {0.0} {} 0.0 32.1356 0 {} 0 0 0 28 {V469.HG11} 0.72838 0.04265 0.06685 ++ {0.0} {} {V469.CG1} 22.65825 0.18501 0.30406 ++ {0.0} {} 0.0 28.1161 0 {} 0 0 0 29 {V608.HG21} 0.78198 0.04317 0.12088 ++ {0.0} {} {V608.CG2} 22.35866 0.11504 0.23163 ++ {0.0} {} 0.0 202.2609 0 {} 0 0 0 30 {I561.HG21} 0.75087 0.05273 0.05702 ++ {0.0} {} {I561.CG2} 17.92907 0.29068 0.32395 ++ {0.0} {} 0.0 11.0402 0 {} 0 0 0 31 {L672.HD21} 0.73582 0.02954 0.08632 ++ {0.0} {} {L672.CD2} 24.14162 0.09898 0.22138 ++ {0.0} {} 0.0 373.0201 0 {} 0 0 0 32 {L627.HD11} 0.69074 0.02687 0.09127 ++ {0.0} {} {L627.CD1} 25.92030 0.09759 0.21876 ++ {0.0} {} 0.0 217.0400 0 {} 0 0 0 33 {V651.HG11} 0.97779 0.04083 0.08901 ++ {0.0} {} {V651.CG2} 21.47018 0.14305 0.37710 ++ {0.0} {} 0.0 45.3283 0 {} 0 0 0 34 {L635.HD11} 0.70885 0.03514 0.09701 ++ {0.0} {} {L635.CD1} 23.91265 0.09550 0.21724 ++ {0.0} {} 0.0 179.7163 0 {} 0 0 0 35 {L597.HD21} 0.67248 0.04276 0.11737 ++ {0.0} {} {L597.CD2} 25.23343 0.13689 0.22822 ++ {0.0} {} 0.0 106.8593 0 {} 0 0 0 36 {L661.HD11} 0.65315 0.03288 0.05828 ++ {0.0} {} {L661.CD1} 27.30193 0.11950 0.18448 ++ {0.0} {} 0.0 22.6138 0 {} 0 0 0 37 {L672.HD11} 0.65782 0.03827 0.08721 ++ {0.0} {} {L672.CD1} 25.48598 0.07279 0.22892 ++ {0.0} {} 0.0 343.1174 0 {} 0 0 0 38 {I482.HD11} 0.61774 0.03828 0.08266 ++ {0.0} {} {I482.CD1} 13.02077 0.08815 0.21960 ++ {0.0} {} 0.0 139.5825 0 {} 0 0 0 39 {V656.HG11} 0.56290 0.04200 0.10030 ++ {0.0} {} {V656.CG1} 22.89438 0.15713 0.25417 ++ {0.0} {} 0.0 115.1665 0 {} 0 0 0 40 {V552.HG21} 0.57179 0.04710 0.09926 ++ {0.0} {} {V552.CG2} 22.57506 0.08985 0.16412 ++ {0.0} {} 0.0 52.1159 0 {} 0 0 0 41 {V534.HG11} 0.66551 0.04389 0.11987 ++ {0.0} {} {V534.CG1} 21.90712 0.08438 0.20049 ++ {0.0} {} 0.0 332.0548 0 {} 0 0 0 42 {V577.HG11} 0.49749 0.01889 0.02788 ++ {0.0} {} {V577.CG1} 21.56413 0.04933 0.07280 ++ {0.0} {} 0.0 19.0722 0 {} 0 0 0 43 {V577.HG21} 0.49174 0.03623 0.08589 ++ {0.0} {} {V577.CG2} 21.09299 0.07352 0.17710 ++ {0.0} {} 0.0 130.1865 0 {} 0 0 0 44 {V608.HG21} 0.55793 0.04463 0.06403 ++ {0.0} {} {V608.CG2} 20.86376 0.09723 0.16857 ++ {0.0} {} 0.0 24.8214 0 {} 0 0 0 45 {I606.HG21} 0.57530 0.04267 0.03176 ++ {0.0} {} {I606.CG2} 15.71037 0.31150 0.25222 ++ {0.0} {} 0.0 8.1853 0 {} 0 0 0 46 {V508.HG11} 0.52980 0.04123 0.07398 ++ {0.0} {} {V508.CG1} 20.51776 0.15704 0.23476 ++ {0.0} {} 0.0 37.6952 0 {} 0 0 0 47 {V592.HG11} 0.49400 0.03940 0.09566 ++ {0.0} {} {V592.CG1} 21.66180 0.07889 0.20569 ++ {0.0} {} 0.0 158.8486 0 {} 0 0 0 48 {L535.HD11} 0.45544 0.03238 0.05499 ++ {0.0} {} {L535.CD1} 26.44205 0.10116 0.16590 ++ {0.0} {} 0.0 19.7301 0 {} 0 0 0 49 {L480.HD21} 0.41158 0.04529 0.06418 ++ {0.0} {} {L480.CD2} 25.18122 0.10665 0.16217 ++ {0.0} {} 0.0 18.9743 0 {} 0 0 0 50 {V598.HG21} 0.57531 0.04234 0.11086 ++ {0.0} {} {V598.CG2} 21.84186 0.08317 0.21448 ++ {0.0} {} 0.0 329.2691 0 {} 0 0 0 51 {V552.HG11} 0.35306 0.03941 0.07732 ++ {0.0} {} {V552.CG1} 20.64137 0.09304 0.22384 ++ {0.0} {} 0.0 41.0038 0 {} 0 0 0 52 {V502.HG11} 0.35614 0.03812 0.08435 ++ {0.0} {} {V502.CG1} 23.05647 0.11372 0.21753 ++ {0.0} {} 0.0 53.1351 0 {} 0 0 0 53 {V641.HG11} 0.25335 0.03323 0.11936 ++ {0.0} {} {V641.CG1} 19.68871 0.08570 0.22444 ++ {0.0} {} 0.0 279.1941 0 {} 0 0 0 54 {L535.HD21} 0.27049 0.04859 0.13991 ++ {0.0} {} {L535.CD2} 23.10119 0.07347 0.23283 ++ {0.0} {} 0.0 169.9771 0 {} 0 0 0 55 {V537.HG11} 0.23445 0.04639 0.08324 ++ {0.0} {} {V537.CG1} 19.31209 0.15755 0.22037 ++ {0.0} {} 0.0 49.4671 0 {} 0 0 0 56 {L597.HD11} 0.14291 0.04087 0.09546 ++ {0.0} {} {L597.CD1} 21.11196 0.10240 0.21881 ++ {0.0} {} 0.0 131.2808 0 {} 0 0 0 57 {V592.HG21} 0.13046 0.04142 0.10444 ++ {0.0} {} {V592.CG2} 17.76470 0.07678 0.20443 ++ {0.0} {} 0.0 200.8882 0 {} 0 0 0 58 {L594.HD21} -0.06352 0.04063 0.10016 ++ {0.0} {} {L594.CD2} 25.09087 0.08289 0.23498 ++ {0.0} {} 0.0 226.8006 0 {} 0 0 0 59 {L594.HD11} -0.13876 0.03721 0.09473 ++ {0.0} {} {L594.CD1} 24.00779 0.11697 0.41713 ++ {0.0} {} 0.0 227.2365 0 {} 0 0 0 60 {I606.HD11} -0.61172 0.04077 0.09196 ++ {0.0} {} {I606.CD1} 13.13991 0.10455 0.22292 ++ {0.0} {} 0.0 105.4390 0 {} 0 0 0 61 {I565.HG21} 1.12990 0.04749 0.06810 ++ {0.0} {} {I565.CG2} 17.93262 0.31470 0.48382 ++ {0.0} {} 0.0 4.3864 0 {} 0 0 0 62 {V656.HG21} 0.45400 0.03972 0.05878 ++ {0.0} {} {V656.CG2} 22.04756 0.06674 0.09541 ++ {0.0} {} 0.0 163.2579 0 {} 0 0 0 63 {V537.HG21} 0.42145 0.03881 0.04080 ++ {0.0} {} {V537.CG1} 23.55158 0.07959 0.08349 ++ {0.0} {} 0.0 97.9305 0 {} 0 0 0 64 {V598.HG11} 0.55087 0.03881 0.04080 ++ {0.0} {} {V598.CG1} 23.58079 0.07959 0.08349 ++ {0.0} {} 0.0 97.9305 0 {} 0 0 0 65 {I482.HD21} 0.79460 0.05273 0.05702 ++ {0.0} {} {I482.CD2} 17.97665 0.29068 0.32395 ++ {0.0} {} 0.0 11.0402 0 {} 0 0 0 66 {V651.HG21} 0.90653 0.04710 0.05668 ++ {0.0} {} {V651.CG1} 21.58227 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0 67 {T564.HG21} 1.00124 0.04710 0.05668 ++ {0.0} {} {T564.CG2} 21.45953 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0 68 {V626.HG21} 0.84045 0.04710 0.05668 ++ {0.0} {} {V626.CG2} 22.09205 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0 69 {V508.HG21} 0.96529 0.04710 0.05668 ++ {0.0} {} {V508.CG2} 21.35863 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0 70 {V531.HG21} 0.96530 0.04710 0.05668 ++ {0.0} {} {V531.CG2} 21.28147 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0 71 {V469.HG11} 0.67230 0.04083 0.05942 ++ {0.0} {} {V469.CG1} 21.74081 0.14305 0.20386 ++ {0.0} {} 0.0 45.3283 0 {} 0 0 0 72 {V532.HG11} 0.98631 0.05011 0.06982 ++ {0.0} {} {V532.CG1} 21.98313 0.14069 0.18667 ++ {0.0} {} 0.0 43.6604 0 {} 0 0 0 73 {A607.HB1} 1.32085 0.04946 0.04161 ++ {0.0} {} {A607.CB} 21.96838 0.54703 0.49428 ++ {0.0} {} 0.0 6.6121 0 {} 0 0 0 74 {V513.HG21} 0.96120 0.03183 0.07386 ++ {0.0} {} {V513.CG2} 21.67710 0.09682 0.22325 ++ {0.0} {} 0.0 222.0680 0 {} 0 0 0 75 {L480.HD11} 0.10079 0.04087 0.07759 ++ {0.0} {} {L48.CD1} 20.73408 0.08771 0.20096 ++ {0.0} {} 0.0 131.2810 0 {} 0 0 0 76 {L627.HD21} 0.21330 0.03812 0.06102 ++ {0.0} {} {L627.CD2} 22.98319 0.10704 0.18048 ++ {0.0} {} 0.0 53.1351 0 {} 0 0 0 77 {L639.HD11} 0.45355 0.03881 0.05968 ++ {0.0} {} {L639.CD1} 23.47606 0.07959 0.12043 ++ {0.0} {} 0.0 97.9305 0 {} 0 0 0 78 {T579.HG21} 0.94944 0.03957 0.04450 ++ {0.0} {} {T579.CG2} 23.14934 0.16865 0.18315 ++ {0.0} {} 0.0 85.5536 0 {} 0 0 0 79 {V488.HG11} 0.89310 0.03957 0.04450 ++ {0.0} {} {V488.CG1} 23.14088 0.16865 0.18315 ++ {0.0} {} 0.0 85.5536 0 {} 0 0 0 80 {L538.HD21} 0.98122 0.03272 0.05686 ++ {0.0} {} {L538.CD1} 24.94355 0.09565 0.17251 ++ {0.0} {} 0.0 183.3560 0 {} 0 0 0 81 {V488.HG21} 0.45608 0.03972 0.06384 ++ {0.0} {} {V488.CG2} 22.15169 0.06674 0.10302 ++ {0.0} {} 0.0 163.2580 0 {} 0 0 0 82 {A568.HB1} 1.45056 0.05055 0.04902 ++ {0.0} {} {A568.CB} 19.26099 0.52953 0.51505 ++ {0.0} {} 0.0 4.9338 0 {} 0 0 0 83 {L463.HD11} 0.91203 0.04060 0.03759 ++ {0.0} {} {L463.CD1} 25.28186 0.12204 0.11357 ++ {0.0} {} 0.0 28.5366 0 {} 0 0 0 84 {V491.HG21} 0.94569 0.07628 0.10897 ++ {0.0} {} {V491.CG2} 21.33043 0.34395 0.18522 ++ {0.0} {} 0.0 23.8916 0 {} 0 0 0 85 {V492.HG21} 0.97367 0.03660 0.01792 ++ {0.0} {} {V492.CG2} 21.96157 0.16578 0.10117 ++ {0.0} {} 0.0 39.8126 0 {} 0 0 0 86 {L580.HD21} 0.95670 0.03054 0.08363 ++ {0.0} {} {L580.CD2} 23.70003 0.19381 0.34286 ++ {0.0} {} 0.0 207.4970 0 {} 0 0 0 87 {V502.HG21} 0.78798 0.03101 0.06672 ++ {0.0} {} {V502.CD2} 22.48026 0.12153 0.19904 ++ {0.0} {} 0.0 204.9550 0 {} 0 0 0 88 {V532.HG21} 0.84263 0.04083 0.03875 ++ {0.0} {} {V532.CG2} 22.21339 0.14305 0.13620 ++ {0.0} {} 0.0 45.3283 0 {} 0 0 0 89 {L639.HD11} 0.04693 0.04257 0.05340 ++ {0.0} {} {L639.CD1} 26.90460 0.07102 0.09376 ++ {0.0} {} 0.0 70.1462 0 {} 0 0 0 90 {V641.HG21} 0.41602 0.04234 0.06625 ++ {0.0} {} {V641.CG1} 21.79808 0.08317 0.15129 ++ {0.0} {} 0.0 329.2690 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 Proton . 'not observed' . ppm . . . . . . 53625 6 2 . . N 15 Nitrogen . 'not observed' . ppm . . . . . . 53625 6 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 53625 6 stop_ save_ save_spectral_peak_list_7 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_7 _Spectral_peak_list.Entry_ID 53625 _Spectral_peak_list.ID 7 _Spectral_peak_list.Name Fc_EEM_G2 _Spectral_peak_list.Sample_ID 4 _Spectral_peak_list.Sample_label $sample_4 _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 19 _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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf HN 15N s25r001-10_trosy_DG2-274.nv 4204.64404297 2837.68408203 700.132995605 70.952003479 HN.L HN.P HN.W HN.B HN.E HN.J HN.U 15N.L 15N.P 15N.W 15N.B 15N.E 15N.J 15N.U vol int stat comment flag0 flag8 flag9 0 {L639.H} 9.14045 0.02779 0.05636 ++ {0.0} {} {L639.N} 133.90424 0.12316 0.34549 ++ {0.0} {} 0.0 57.2038 0 {} 0 0 0 1 {D509.H} 9.85582 0.02726 0.04590 ++ {0.0} {} {D509.N} 131.45648 0.13794 0.29100 ++ {0.0} {} 0.0 27.4212 0 {} 0 0 0 2 {K638.H} 9.45150 0.02584 0.03917 ++ {0.0} {} {K638.N} 131.17458 0.16694 0.29463 ++ {0.0} {} 0.0 21.7072 0 {} 0 0 0 3 {L597.H} 9.36053 0.02142 0.04945 ++ {0.0} {} {L597.N} 131.28253 0.10724 0.32386 ++ {0.0} {} 0.0 79.2329 0 {} 0 0 0 4 {C490.H} 9.93480 0.02955 0.04222 ++ {0.0} {} {C490.N} 130.01353 0.18964 0.29896 ++ {0.0} {} 0.0 17.3734 0 {} 0 0 0 5 {L535.H} 8.42779 0.02733 0.04482 ++ {0.0} {} {L535.N} 129.66777 0.16171 0.29789 ++ {0.0} {} 0.0 26.0978 0 {} 0 0 0 6 {E512.H} 8.80426 0.02149 0.04242 ++ {0.0} {} {E512.N} 129.35387 0.13148 0.31661 ++ {0.0} {} 0.0 38.5063 0 {} 0 0 0 7 {C596.H} 9.71445 0.02664 0.05422 ++ {0.0} {} {C596.N} 128.81796 0.15724 0.30856 ++ {0.0} {} 0.0 59.4315 0 {} 0 0 0 8 {D628.H} 9.49716 0.01979 0.03829 ++ {0.0} {} {D628.N} 128.72772 0.12013 0.31867 ++ {0.0} {} 0.0 54.7882 0 {} 0 0 0 9 {A568.H} 8.56492 0.02430 0.03850 ++ {0.0} {} {A568.N} 128.52365 0.18478 0.33555 ++ {0.0} {} 0.0 24.6933 0 {} 0 0 0 10 {L594.H} 9.22096 0.02240 0.05655 ++ {0.0} {} {L594.N} 128.58675 0.13073 0.34334 ++ {0.0} {} 0.0 65.0399 0 {} 0 0 0 11 {F652.H} 8.98382 0.02185 0.05079 ++ {0.0} {} {F652.N} 128.24127 0.14509 0.36293 ++ {0.0} {} 0.0 59.5688 0 {} 0 0 0 12 {K551.H} 9.03708 0.02966 0.04916 ++ {0.0} {} {K551.N} 128.43292 0.14681 0.28304 ++ {0.0} {} 0.0 22.4856 0 {} 0 0 0 13 {K519.H} 8.68134 0.03082 0.03479 ++ {0.0} {} {K519.N} 128.26846 0.16295 0.18867 ++ {0.0} {} 0.0 11.5166 0 {} 0 0 0 14 {V552.H} 9.13766 0.02650 0.04181 ++ {0.0} {} {V552.N} 128.23647 0.15291 0.27061 ++ {0.0} {} 0.0 19.7709 0 {} 0 0 0 15 {L627.H} 8.28172 0.02005 0.05132 ++ {0.0} {} {L627.N} 127.96181 0.12454 0.32182 ++ {0.0} {} 0.0 91.4695 0 {} 0 0 0 16 {R584.H} 8.94976 0.02544 0.05476 ++ {0.0} {} {R584.N} 127.39537 0.15817 0.49564 ++ {0.0} {} 0.0 75.6704 0 {} 0 0 0 17 {K643.H} 8.66852 0.02206 0.05223 ++ {0.0} {} {K643.N} 127.14289 0.13957 0.40048 ++ {0.0} {} 0.0 86.6778 0 {} 0 0 0 18 {V492.H} 9.24849 0.02867 0.03834 ++ {0.0} {} {V492.N} 126.99380 0.16818 0.24151 ++ {0.0} {} 0.0 15.4133 0 {} 0 0 0 19 {Y548.H} 9.07572 0.02317 0.03502 ++ {0.0} {} {Y548.N} 127.19447 0.15801 0.27202 ++ {0.0} {} 0.0 19.1031 0 {} 0 0 0 20 {V491.H} 9.46819 0.02682 0.04406 ++ {0.0} {} {V491.N} 126.73635 0.14770 0.28800 ++ {0.0} {} 0.0 26.5518 0 {} 0 0 0 21 {V532.H} 8.36217 0.03246 0.04413 ++ {0.0} {} {V532.N} 126.69684 0.15611 0.21716 ++ {0.0} {} 0.0 13.6938 0 {} 0 0 0 22 {E659.H} 8.67292 0.03234 0.04772 ++ {0.0} {} {E659.N} 126.39831 0.21430 0.31575 ++ {0.0} {} 0.0 19.6467 0 {} 0 0 0 23 {N613.H} 9.33134 0.02179 0.03695 ++ {0.0} {} {N613.N} 126.22657 0.30074 0.42963 ++ {0.0} {} 0.0 22.2388 0 {} 0 0 0 24 {E523.H} 8.98114 0.02615 0.03193 ++ {0.0} {} {E523.N} 126.21961 0.25098 0.30661 ++ {0.0} {} 0.0 12.9451 0 {} 0 0 0 25 {A607.H} 8.12212 0.02358 0.03982 ++ {0.0} {} {A607.N} 126.35515 0.20287 0.31047 ++ {0.0} {} 0.0 25.8989 0 {} 0 0 0 26 {V626.H} 9.18794 0.02573 0.04246 ++ {0.0} {} {V626.N} 126.16889 0.18552 0.27044 ++ {0.0} {} 0.0 22.6767 0 {} 0 0 0 27 {K503.H} 8.21773 0.03352 0.06071 ++ {0.0} {} {K503.N} 126.14859 0.16942 0.29358 ++ {0.0} {} 0.0 24.1366 0 {} 0 0 0 28 {K676.H} 7.66449 0.01775 0.04115 ++ {0.0} {} {K676.N} 125.81020 0.14003 0.50711 ++ {0.0} {} 0.0 291.2917 0 {} 0 0 0 29 {V531.H} 9.16549 0.02013 0.04404 ++ {0.0} {} {V531.N} 125.63221 0.10965 0.28199 ++ {0.0} {} 0.0 47.6316 -1 {} 0 0 0 30 {A460.H} 8.24531 0.02477 0.04811 ++ {0.0} {} {A460.N} 125.56747 0.15050 0.33937 ++ {0.0} {} 0.0 47.9727 0 {} 0 0 0 31 {V534.H} 8.68142 0.02809 0.06114 ++ {0.0} {} {V534.N} 125.57074 0.20395 0.54119 ++ {0.0} {} 0.0 47.7980 0 {} 0 0 0 32 {V531.H} 9.28557 0.03127 0.03715 ++ {0.0} {} {V531.N} 125.48894 0.26822 0.31274 ++ {0.0} {} 0.0 12.8766 0 {} 0 0 0 33 {E609.H} 8.83151 0.02418 0.05126 ++ {0.0} {} {E609.N} 125.69293 0.20774 0.44130 ++ {0.0} {} 0.0 71.6285 0 {} 0 0 0 34 {C550.H} 8.64233 0.02844 0.04790 ++ {0.0} {} {C550.N} 125.48984 0.16380 0.33116 ++ {0.0} {} 0.0 21.2259 0 {} 0 0 0 35 {T640.H} 8.17200 0.04410 0.06299 ++ {0.0} {} {T640.N} 125.45087 0.13220 0.33093 ++ {0.0} {} 0.0 63.8317 0 {} 0 0 0 36 {F470.H} 9.37299 0.02899 0.04601 ++ {0.0} {} {F470.N} 125.26101 0.15494 0.26927 ++ {0.0} {} 0.0 21.4745 0 {} 0 0 0 37 {L672.H} 8.69619 0.02543 0.07339 ++ {0.0} {} {L672.N} 124.74640 0.13132 0.33953 ++ {0.0} {} 0.0 65.2806 0 {} 0 0 0 38 {K567.H} 8.64674 0.04315 0.06164 ++ {0.0} {} {K567.N} 124.66833 0.24097 0.29567 ++ {0.0} {} 0.0 13.5469 0 {} 0 0 0 39 {Y578.H} 9.27942 0.02526 0.05535 ++ {0.0} {} {Y578.N} 124.57157 0.13942 0.43469 ++ {0.0} {} 0.0 82.0009 0 {} 0 0 0 40 {L580.H} 9.38702 0.01417 0.01113 ++ {0.0} {} {L580.N} 124.23910 0.17525 0.05055 ++ {0.0} {} 0.0 5.8467 0 {} 0 0 0 41 {A660.H} 10.39524 0.03001 0.04204 ++ {0.0} {} {A660.N} 124.42805 0.22293 0.30714 ++ {0.0} {} 0.0 17.2518 0 {} 0 0 0 42 {L670.H} 9.46876 0.02842 0.07664 ++ {0.0} {} {L670.N} 124.02315 0.16087 0.44908 ++ {0.0} {} 0.0 74.5453 0 {} 0 0 0 43 {E574.H} 8.55246 0.02432 0.04425 ++ {0.0} {} {E574.N} 123.78715 0.17100 0.30930 ++ {0.0} {} 0.0 40.6824 0 {} 0 0 0 44 {E562.H} 8.39354 0.02649 0.04910 ++ {0.0} {} {E562.N} 123.70287 0.20830 0.37282 ++ {0.0} {} 0.0 34.8924 0 {} 0 0 0 45 {V511.H} 7.92083 0.02361 0.03972 ++ {0.0} {} {V511.N} 123.81602 0.20324 0.30881 ++ {0.0} {} 0.0 28.5726 0 {} 0 0 0 46 {K549.H} 9.37402 0.02502 0.04395 ++ {0.0} {} {K549.N} 123.73385 0.18006 0.29201 ++ {0.0} {} 0.0 22.8751 0 {} 0 0 0 47 {S655.H} 8.77004 0.02534 0.03890 ++ {0.0} {} {S655.N} 123.70238 0.23680 0.36992 ++ {0.0} {} 0.0 24.1335 0 {} 0 0 0 48 {A516.H} 8.01734 0.02785 0.03469 ++ {0.0} {} {A516.N} 123.54887 0.22189 0.27607 ++ {0.0} {} 0.0 13.0429 0 {} 0 0 0 49 {V656.H} 8.38207 0.02107 0.04408 ++ {0.0} {} {V656.N} 123.40012 0.14692 0.24778 ++ {0.0} {} 0.0 30.1073 0 {} 0 0 0 50 {L471.H} 8.16058 0.02730 0.07103 ++ {0.0} {} {L471.N} 123.63407 0.20765 0.52585 ++ {0.0} {} 0.0 54.9855 0 {} 0 0 0 51 {I606.H} 7.89700 0.02515 0.04672 ++ {0.0} {} {I606.N} 123.53943 0.17176 0.32011 ++ {0.0} {} 0.0 30.2199 0 {} 0 0 0 52 {E617.H} 8.15691 0.02622 0.04516 ++ {0.0} {} {E617.N} 123.76272 0.19131 0.31603 ++ {0.0} {} 0.0 28.3966 0 {} 0 0 0 53 {M657.H} 8.69662 0.02725 0.05088 ++ {0.0} {} {M657.N} 123.44764 0.21277 0.32395 ++ {0.0} {} 0.0 25.3446 0 {} 0 0 0 54 {D642.H} 8.42888 0.03390 0.04843 ++ {0.0} {} {D642.N} 123.23305 0.18909 0.46464 ++ {0.0} {} 0.0 59.8412 0 {} 0 0 0 55 {W506.H} 8.79581 0.02495 0.05313 ++ {0.0} {} {W506.N} 122.80147 0.19350 0.85433 ++ {0.0} {} 0.0 66.7781 0 {} 0 0 0 56 {K599.H} 9.28483 0.02495 0.05449 ++ {0.0} {} {K599.N} 122.72964 0.13223 0.40644 ++ {0.0} {} 0.0 45.4572 0 {} 0 0 0 57 {I482.H} 8.14737 0.02780 0.04617 ++ {0.0} {} {I482.N} 122.45514 0.25332 0.41640 ++ {0.0} {} 0.0 23.0673 0 {} 0 0 0 58 {L464.H} 8.01839 0.02996 0.06052 ++ {0.0} {} {L464.N} 123.06645 0.22111 0.47906 ++ {0.0} {} 0.0 28.8159 0 {} 0 0 0 59 {R521.H} 8.39637 0.02805 0.04861 ++ {0.0} {} {R521.N} 122.69950 0.23639 0.34785 ++ {0.0} {} 0.0 25.6605 0 {} 0 0 0 60 {V577.H} 7.76498 0.02502 0.07548 ++ {0.0} {} {V577.N} 122.37764 0.18643 0.48234 ++ {0.0} {} 0.0 116.3260 0 {} 0 0 0 61 {R573.H} 9.35316 0.02623 0.03697 ++ {0.0} {} {R573.N} 122.29933 0.21884 0.27606 ++ {0.0} {} 0.0 16.4367 0 {} 0 0 0 62 {E522.H} 8.75708 0.02293 0.03300 ++ {0.0} {} {E522.N} 121.56900 0.24400 0.33557 ++ {0.0} {} 0.0 16.2272 0 {} 0 0 0 63 {L463.H} 8.14434 0.04250 0.03381 ++ {0.0} {} {L463.N} 122.24500 0.28957 0.21281 ++ {0.0} {} 0.0 8.5694 0 {} 0 0 0 64 {K589.H} 7.87909 0.02653 0.07621 ++ {0.0} {} {K589.N} 122.25200 0.18048 0.57332 ++ {0.0} {} 0.0 109.4875 0 {} 0 0 0 65 {K563.H} 8.62286 0.02654 0.04613 ++ {0.0} {} {K563.N} 122.38860 0.17759 0.33249 ++ {0.0} {} 0.0 26.5163 0 {} 0 0 0 66 {L538.H} 8.38962 0.02836 0.05117 ++ {0.0} {} {L538.N} 122.33796 0.23422 0.40008 ++ {0.0} {} 0.0 28.6353 0 {} 0 0 0 67 {V495.H} 8.06578 0.02788 0.06230 ++ {0.0} {} {V495.N} 122.18079 0.25169 0.42569 ++ {0.0} {} 0.0 26.7105 0 {} 0 0 0 68 {Q571.H} 8.18748 0.03097 0.05570 ++ {0.0} {} {Q571.N} 122.25055 0.25692 0.45319 ++ {0.0} {} 0.0 38.1180 0 {} 0 0 0 69 {V608.H} 8.23803 0.03390 0.04843 ++ {0.0} {} {V608.N} 122.22018 0.23803 0.36989 ++ {0.0} {} 0.0 31.3572 0 {} 0 0 0 70 {I561.H} 8.34816 0.03537 0.05452 ++ {0.0} {} {I561.N} 121.97989 0.08314 0.28158 ++ {0.0} {} 0.0 20.4277 0 {} 0 0 0 71 {V508.H} 8.89102 0.02324 0.04212 ++ {0.0} {} {V508.N} 121.78164 0.20573 0.29953 ++ {0.0} {} 0.0 25.8819 0 {} 0 0 0 72 {V469.H} 8.01519 0.02519 0.04607 ++ {0.0} {} {V469.N} 121.81728 0.25889 0.38580 ++ {0.0} {} 0.0 20.8089 0 {} 0 0 0 73 {F504.H} 8.60376 0.02287 0.03765 ++ {0.0} {} {F504.N} 121.68435 0.24532 0.42409 ++ {0.0} {} 0.0 21.4284 0 {} 0 0 0 74 {E586.H} 7.46943 0.02397 0.06173 ++ {0.0} {} {E586.N} 121.62573 0.18554 0.47594 ++ {0.0} {} 0.0 71.9620 0 {} 0 0 0 75 {I565.H} 9.30996 0.02448 0.04135 ++ {0.0} {} {I565.N} 121.35265 0.17876 0.29895 ++ {0.0} {} 0.0 30.2781 0 {} 0 0 0 76 {T666.H} 8.30544 0.03420 0.05735 ++ {0.0} {} {T666.N} 121.45276 0.30811 0.50835 ++ {0.0} {} 0.0 23.2107 0 {} 0 0 0 77 {V651.H} 8.21690 0.02506 0.06520 ++ {0.0} {} {V651.N} 121.02975 0.14612 0.39003 ++ {0.0} {} 0.0 105.9092 0 {} 0 0 0 78 {T622.H} 9.02392 0.02764 0.05186 ++ {0.0} {} {T622.N} 121.07303 0.26429 0.42041 ++ {0.0} {} 0.0 30.8056 0 {} 0 0 0 79 {C458.H} 8.52855 0.02407 0.04489 ++ {0.0} {} {C458.N} 121.11108 0.24271 0.48323 ++ {0.0} {} 0.0 41.6471 0 {} 0 0 0 80 {S533.H} 8.89265 0.02328 0.04843 ++ {0.0} {} {S533.N} 120.30965 0.11674 0.30796 ++ {0.0} {} 0.0 56.5284 0 {} 0 0 0 81 {N505.H} 9.22653 0.02322 0.03456 ++ {0.0} {} {N505.N} 120.44283 0.18989 0.28362 ++ {0.0} {} 0.0 17.9651 0 {} 0 0 0 82 {Q576.H} 8.96763 0.03268 0.04668 ++ {0.0} {} {Q576.N} 120.76927 0.22362 0.40305 ++ {0.0} {} 0.0 29.9603 0 {} 0 0 0 83 {K569.H} 8.27656 0.02676 0.04960 ++ {0.0} {} {K569.N} 120.96635 0.24021 0.42653 ++ {0.0} {} 0.0 33.3687 0 {} 0 0 0 84 {N554.H} 8.07824 0.02672 0.03786 ++ {0.0} {} {N554.N} 120.95759 0.34500 0.51874 ++ {0.0} {} 0.0 17.7264 0 {} 0 0 0 85 {N619.H} 8.39240 0.03098 0.03870 ++ {0.0} {} {N619.N} 120.51695 0.28689 0.35231 ++ {0.0} {} 0.0 14.1264 0 {} 0 0 0 86 {V537.H} 7.84860 0.02793 0.04881 ++ {0.0} {} {V537.N} 120.52752 0.19631 0.38279 ++ {0.0} {} 0.0 28.5374 0 {} 0 0 0 87 {K517.H} 8.49935 0.03304 0.08033 ++ {0.0} {} {K517.N} 120.41665 0.25093 0.55656 ++ {0.0} {} 0.0 32.2197 0 {} 0 0 0 88 {V488.H} 8.47169 0.03402 0.07143 ++ {0.0} {} {V488.N} 120.27118 0.24324 0.43197 ++ {0.0} {} 0.0 32.6456 0 {} 0 0 0 89 {Q667.H} 7.62746 0.02120 0.04316 ++ {0.0} {} {Q667.N} 120.32799 0.23308 0.41110 ++ {0.0} {} 0.0 31.0230 0 {} 0 0 0 90 {D605.H} 6.74318 0.03973 0.05595 ++ {0.0} {} {D605.N} 120.46053 0.19034 0.28108 ++ {0.0} {} 0.0 16.5828 0 {} 0 0 0 91 {R530.H} 8.77207 0.02840 0.04436 ++ {0.0} {} {R530.N} 120.19494 0.17314 0.27897 ++ {0.0} {} 0.0 20.9014 0 {} 0 0 0 92 {R645.H} 7.38973 0.02427 0.06446 ++ {0.0} {} {R645.N} 120.19927 0.18722 0.36855 ++ {0.0} {} 0.0 59.0686 0 {} 0 0 0 93 {Y525.H} 8.31115 0.02663 0.05741 ++ {0.0} {} {Y525.N} 119.84261 0.18047 0.29452 ++ {0.0} {} 0.0 39.8934 0 {} 0 0 0 94 {Q615.H} 7.90689 0.02237 0.04959 ++ {0.0} {} {Q615.N} 119.86167 0.11865 0.34282 ++ {0.0} {} 0.0 72.5574 0 {} 0 0 0 95 {H658.H} 7.10110 0.02766 0.04750 ++ {0.0} {} {H658.N} 120.11926 0.16431 0.28639 ++ {0.0} {} 0.0 24.3050 0 {} 0 0 0 96 {Y602.H} 8.28348 0.04746 0.06780 ++ {0.0} {} {Y602.N} 119.87418 0.24726 0.30439 ++ {0.0} {} 0.0 13.7889 0 {} 0 0 0 97 {D541.H} 6.97628 0.03160 0.05780 ++ {0.0} {} {D541.N} 119.69836 0.13884 0.39102 ++ {0.0} {} 0.0 46.6667 0 {} 0 0 0 98 {K621.H} 8.46021 0.02790 0.06471 ++ {0.0} {} {K621.N} 119.30783 0.30074 0.42963 ++ {0.0} {} 0.0 38.4008 0 {} 0 0 0 99 {W646.H} 7.43061 0.02914 0.05766 ++ {0.0} {} {W646.N} 119.35130 0.15121 0.30794 ++ {0.0} {} 0.0 42.3266 0 {} 0 0 0 100 {V641.H} 8.42760 0.02665 0.05279 ++ {0.0} {} {V641.N} 119.76399 0.16831 0.30946 ++ {0.0} {} 0.0 45.5358 0 {} 0 0 0 101 {V513.H} 8.14402 0.03036 0.04808 ++ {0.0} {} {V513.N} 118.89549 0.22781 0.36077 ++ {0.0} {} 0.0 20.9090 0 {} 0 0 0 102 {T489.H} 7.85272 0.02728 0.04764 ++ {0.0} {} {T489.N} 119.16687 0.24842 0.35365 ++ {0.0} {} 0.0 19.7329 0 {} 0 0 0 103 {E547.H} 8.47972 0.01894 0.05359 ++ {0.0} {} {E547.N} 119.18040 0.19571 0.46789 ++ {0.0} {} 0.0 58.3592 0 {} 0 0 0 104 {M481.H} 7.25213 0.02687 0.04220 ++ {0.0} {} {M481.N} 119.03686 0.19507 0.31705 ++ {0.0} {} 0.0 22.6302 0 {} 0 0 0 105 {W542.H} 7.62286 0.03138 0.05109 ++ {0.0} {} {W542.N} 118.41002 0.20490 0.39506 ++ {0.0} {} 0.0 26.3204 0 {} 0 0 0 106 {S673.H} 8.07607 0.02304 0.05461 ++ {0.0} {} {S673.N} 118.83875 0.19023 0.63927 ++ {0.0} {} 0.0 129.4164 0 {} 0 0 0 107 {Y665.H} 7.30665 0.02754 0.05010 ++ {0.0} {} {Y665.N} 118.48251 0.18860 0.34104 ++ {0.0} {} 0.0 29.3102 0 {} 0 0 0 108 {K546.H} 7.36550 0.03666 0.06780 ++ {0.0} {} {K546.N} 118.27228 0.27243 0.40186 ++ {0.0} {} 0.0 21.1504 0 {} 0 0 0 109 {A559.H} 7.24343 0.03025 0.04637 ++ {0.0} {} {A559.N} 118.34438 0.23422 0.33110 ++ {0.0} {} 0.0 20.4332 0 {} 0 0 0 110 {S553.H} 8.32279 0.02983 0.04744 ++ {0.0} {} {S553.N} 118.36590 0.20544 0.31181 ++ {0.0} {} 0.0 20.5446 0 {} 0 0 0 111 {S669.H} 8.56031 0.02529 0.05151 ++ {0.0} {} {S669.N} 118.16062 0.20006 0.50142 ++ {0.0} {} 0.0 62.8258 0 {} 0 0 0 112 {Q591.H} 7.39927 0.02695 0.05705 ++ {0.0} {} {Q591.N} 118.05463 0.13062 0.56348 ++ {0.0} {} 0.0 89.0344 0 {} 0 0 0 113 {T623.H} 9.52374 0.02530 0.04767 ++ {0.0} {} {T623.N} 118.18307 0.12656 0.30307 ++ {0.0} {} 0.0 54.5429 0 {} 0 0 0 114 {S496.H} 8.30808 0.03122 0.03350 ++ {0.0} {} {S496.N} 118.52534 0.25012 0.26559 ++ {0.0} {} 0.0 10.9897 0 {} 0 0 0 115 {E611.H} 9.07657 0.02260 0.04457 ++ {0.0} {} {E611.N} 118.32682 0.14964 0.30659 ++ {0.0} {} 0.0 54.0205 0 {} 0 0 0 116 {T595.H} 7.87038 0.02514 0.05649 ++ {0.0} {} {T595.N} 117.58074 0.15549 0.34091 ++ {0.0} {} 0.0 46.6462 0 {} 0 0 0 117 {E487.H} 7.74551 0.02190 0.04089 ++ {0.0} {} {E487.N} 117.59128 0.19030 0.30853 ++ {0.0} {} 0.0 31.2407 0 {} 0 0 0 118 {D630.H} 7.58533 0.03114 0.06341 ++ {0.0} {} {D630.N} 117.57519 0.14663 0.47594 ++ {0.0} {} 0.0 61.7915 0 {} 0 0 0 119 {L480.H} 7.12216 0.03387 0.04140 ++ {0.0} {} {L480.N} 117.49641 0.19235 0.24696 ++ {0.0} {} 0.0 12.6607 0 {} 0 0 0 120 {S583.H} 8.86395 0.02831 0.06217 ++ {0.0} {} {S583.N} 117.24189 0.13627 0.36252 ++ {0.0} {} 0.0 46.9384 0 {} 0 0 0 121 {E585.H} 8.51975 0.02398 0.05551 ++ {0.0} {} {E585.N} 117.23055 0.16712 0.46763 ++ {0.0} {} 0.0 65.3511 0 {} 0 0 0 122 {Y507.H} 9.16871 0.02634 0.03678 ++ {0.0} {} {Y507.N} 116.54839 0.17451 0.26421 ++ {0.0} {} 0.0 16.3092 0 {} 0 0 0 123 {L661.H} 7.18573 0.02431 0.04019 ++ {0.0} {} {L661.N} 116.54761 0.16625 0.29482 ++ {0.0} {} 0.0 28.5147 0 {} 0 0 0 124 {S629.H} 9.77017 0.03377 0.06702 ++ {0.0} {} {S629.N} 116.20142 0.16005 0.47548 ++ {0.0} {} 0.0 54.3088 0 {} 0 0 0 125 {N515.H} 8.06635 0.03379 0.02674 ++ {0.0} {} {N515.N} 115.85767 0.29816 0.23823 ++ {0.0} {} 0.0 8.0395 0 {} 0 0 0 126 {N650.H} 6.79538 0.02757 0.05794 ++ {0.0} {} {N650.N} 116.02769 0.15026 0.46506 ++ {0.0} {} 0.0 53.9619 0 {} 0 0 0 127 {N618.H} 8.66076 0.02852 0.06002 ++ {0.0} {} {N618.N} 115.61459 0.18811 0.37738 ++ {0.0} {} 0.0 38.6016 0 {} 0 0 0 128 {N544.H} 7.90347 0.02822 0.04171 ++ {0.0} {} {N544.N} 115.91206 0.24186 0.34035 ++ {0.0} {} 0.0 19.7001 0 {} 0 0 0 129 {S671.H} 8.20020 0.02773 0.05620 ++ {0.0} {} {S671.N} 115.22397 0.27895 0.52754 ++ {0.0} {} 0.0 63.3201 0 {} 0 0 0 130 {Q647.H} 8.57971 0.04015 0.07313 ++ {0.0} {} {Q647.N} 115.47808 0.13668 0.32077 ++ {0.0} {} 0.0 36.7594 0 {} 0 0 0 131 {T485.H} 8.34364 0.02665 0.04902 ++ {0.0} {} {T485.N} 115.44823 0.15907 0.36539 ++ {0.0} {} 0.0 35.8002 0 {} 0 0 0 132 {Y636.H} 8.06090 0.02120 0.05079 ++ {0.0} {} {Y636.N} 115.62860 0.17351 0.40330 ++ {0.0} {} 0.0 59.5775 0 {} 0 0 0 133 {K477.H} 8.74704 0.03488 0.05319 ++ {0.0} {} {K477.N} 115.72881 0.19303 0.28545 ++ {0.0} {} 0.0 18.1833 0 {} 0 0 0 134 {Y620.H} 7.49795 0.02751 0.05789 ++ {0.0} {} {Y620.N} 115.32090 0.14161 0.43128 ++ {0.0} {} 0.0 79.1520 0 {} 0 0 0 135 {Q648.H} 7.61922 0.02569 0.06773 ++ {0.0} {} {Q648.N} 115.08076 0.18838 0.57160 ++ {0.0} {} 0.0 57.5473 0 {} 0 0 0 136 {S566.H} 7.66070 0.02670 0.04729 ++ {0.0} {} {S566.N} 115.06189 0.17566 0.40087 ++ {0.0} {} 0.0 30.0380 0 {} 0 0 0 137 {W610.H} 6.10128 0.03441 0.04101 ++ {0.0} {} {W610.N} 114.79967 0.21279 0.26816 ++ {0.0} {} 0.0 12.6599 0 {} 0 0 0 138 {L635.H} 9.57198 0.02278 0.05538 ++ {0.0} {} {L635.N} 114.85419 0.15833 0.34048 ++ {0.0} {} 0.0 72.2669 0 {} 0 0 0 139 {S593.H} 8.74940 0.02272 0.05055 ++ {0.0} {} {S593.N} 114.75742 0.15873 0.45105 ++ {0.0} {} 0.0 52.9959 0 {} 0 0 0 140 {S637.H} 9.30190 0.02382 0.04821 ++ {0.0} {} {S637.N} 114.41840 0.15711 0.32541 ++ {0.0} {} 0.0 48.1511 0 {} 0 0 0 141 {N590.H} 8.31788 0.02655 0.05164 ++ {0.0} {} {N590.N} 113.95778 0.22738 0.45129 ++ {0.0} {} 0.0 32.1814 0 {} 0 0 0 142 {D478.H} 6.75425 0.03020 0.03531 ++ {0.0} {} {D478.N} 113.83292 0.22100 0.26269 ++ {0.0} {} 0.0 12.7945 0 {} 0 0 0 143 {Q540.H} 9.07903 0.02778 0.04439 ++ {0.0} {} {Q540.N} 113.21304 0.16826 0.34776 ++ {0.0} {} 0.0 24.2122 0 {} 0 0 0 144 {S644.H} 8.73673 0.02571 0.05162 ++ {0.0} {} {S644.N} 113.40629 0.21901 0.55502 ++ {0.0} {} 0.0 66.8198 0 {} 0 0 0 145 {S612.H} 8.92230 0.03079 0.05502 ++ {0.0} {} {S612.N} 113.11951 0.15259 0.30283 ++ {0.0} {} 0.0 56.3234 0 {} 0 0 0 146 {T564.H} 8.16445 0.02522 0.04114 ++ {0.0} {} {T564.N} 112.79308 0.20192 0.36953 ++ {0.0} {} 0.0 30.1256 0 {} 0 0 0 147 {M587.H} 7.16960 0.02550 0.05557 ++ {0.0} {} {M587.N} 112.27568 0.19303 0.49015 ++ {0.0} {} 0.0 67.2463 0 {} 0 0 0 148 {S483.H} 7.52294 0.03127 0.04333 ++ {0.0} {} {S483.N} 112.13029 0.26532 0.37024 ++ {0.0} {} 0.0 16.1700 0 {} 0 0 0 149 {T579.H} 8.63515 0.02446 0.06116 ++ {0.0} {} {T579.N} 111.94079 0.12262 0.46552 ++ {0.0} {} 0.0 91.2589 0 {} 0 0 0 150 {S604.H} 8.20320 0.03102 0.03642 ++ {0.0} {} {S604.N} 111.71897 0.26418 0.29742 ++ {0.0} {} 0.0 12.2789 0 {} 0 0 0 151 {F634.H} 8.70938 0.02886 0.05573 ++ {0.0} {} {F634.N} 111.80727 0.13568 0.31820 ++ {0.0} {} 0.0 45.7030 0 {} 0 0 0 152 {F601.H} 7.75203 0.02651 0.04927 ++ {0.0} {} {F601.N} 111.36141 0.17212 0.33623 ++ {0.0} {} 0.0 38.6574 0 {} 0 0 0 153 {V592.H} 8.61208 0.02175 0.05160 ++ {0.0} {} {V592.N} 111.15669 0.12085 0.45635 ++ {0.0} {} 0.0 93.3604 0 {} 0 0 0 154 {G600.H} 8.27534 0.01800 0.03646 ++ {0.0} {} {G600.N} 111.06133 0.18681 0.36460 ++ {0.0} {} 0.0 41.4531 0 {} 0 0 0 155 {S527.H} 8.07443 0.03000 0.03017 ++ {0.0} {} {S527.N} 110.95270 0.29553 0.29714 ++ {0.0} {} 0.0 10.0618 0 {} 0 0 0 156 {G570.H} 8.38630 0.02566 0.04388 ++ {0.0} {} {G570.N} 110.81726 0.22734 0.42235 ++ {0.0} {} 0.0 29.5693 0 {} 0 0 0 157 {G675.H} 8.27762 0.01812 0.04891 ++ {0.0} {} {G675.N} 109.28928 0.16469 0.58145 ++ {0.0} {} 0.0 152.3505 0 {} 0 0 0 158 {G465.H} 8.22940 0.02589 0.04475 ++ {0.0} {} {G465.N} 109.33752 0.16324 0.41195 ++ {0.0} {} 0.0 26.7027 0 {} 0 0 0 159 {H664.H} 8.42624 0.03089 0.03537 ++ {0.0} {} {H664.N} 108.51634 0.17811 0.22711 ++ {0.0} {} 0.0 11.8771 0 {} 0 0 0 160 {G466.H} 7.89827 0.02923 0.01510 ++ {0.0} {} {G466.N} 108.24588 0.15373 0.06824 ++ {0.0} {} 0.0 6.4262 0 {} 0 0 0 161 {T588.H} 7.05419 0.02620 0.05533 ++ {0.0} {} {T588.N} 107.80208 0.13973 0.43617 ++ {0.0} {} 0.0 58.6134 0 {} 0 0 0 162 {G631.H} 7.67568 0.02023 0.05235 ++ {0.0} {} {G631.N} 107.54619 0.14959 0.43850 ++ {0.0} {} 0.0 71.2977 0 {} 0 0 0 163 {G545.H} 7.72786 0.02772 0.04205 ++ {0.0} {} {G545.N} 107.08177 0.16594 0.29117 ++ {0.0} {} 0.0 20.4159 0 {} 0 0 0 164 {T479.H} 7.10203 0.02955 0.02633 ++ {0.0} {} {T479.N} 104.43236 0.18507 0.16084 ++ {0.0} {} 0.0 9.0017 0 {} 0 0 0 165 {G649.H} 7.48326 0.02214 0.05444 ++ {0.0} {} {G649.N} 104.84711 0.18610 0.44018 ++ {0.0} {} 0.0 56.6359 0 {} 0 0 0 166 {G614.H} 8.65069 0.02067 0.04465 ++ {0.0} {} {G614.N} 103.66825 0.16340 0.39539 ++ {0.0} {} 0.0 72.2687 0 {} 0 0 0 167 {G510.H} 8.97428 0.02376 0.03911 ++ {0.0} {} {G510.N} 101.96572 0.16728 0.28746 ++ {0.0} {} 0.0 28.3953 0 {} 0 0 0 168 {S468.H} 8.08298 0.04009 0.04180 ++ {0.0} {} {S468.N} 114.23752 0.26696 0.27580 ++ {0.0} {} 0.0 4.2968 0 {} 0 0 0 169 {F633.H} 8.68773 0.02852 0.07694 ++ {0.0} {} {F633.N} 115.58931 0.18811 0.50160 ++ {0.0} {} 0.0 38.6016 0 {} 0 0 0 170 {N663.H} 8.98201 0.03727 0.02881 ++ {0.0} {} {N663.N} 121.56627 0.19379 0.28126 ++ {0.0} {} 0.0 3.0546 0 {} 0 0 0 171 {Y578.H} 9.29703 0.02526 0.07201 ++ {0.0} {} {Y578.N} 124.49628 0.13942 0.64295 ++ {0.0} {} 0.0 82.0009 0 {} 0 0 0 172 {H662.H} 9.27873 0.03127 0.05781 ++ {0.0} {} {H662.N} 125.21728 0.26822 0.43947 ++ {0.0} {} 0.0 12.8766 0 {} 0 0 0 173 {C654.H} 8.67797 0.03234 0.05752 ++ {0.0} {} {C654.N} 126.00655 0.21430 0.39996 ++ {0.0} {} 0.0 19.6467 0 {} 0 0 0 174 {Q524.H} 8.78020 0.02534 0.05273 ++ {0.0} {} {Q524.H} 122.85345 0.23680 0.45710 ++ {0.0} {} 0.0 24.1335 0 {} 0 0 0 175 {H539.H} 8.92471 0.04130 0.03906 ++ {0.0} {} {H539.N} 123.27820 0.36071 0.33620 ++ {0.0} {} 0.0 3.0965 0 {} 0 0 0 176 {H514.H} 8.77403 0.03329 0.02582 ++ {0.0} {} {H514.N} 118.10406 0.30788 0.23220 ++ {0.0} {} 0.0 4.0159 0 {} 0 0 0 177 {T518.H} 8.60628 0.02287 0.05089 ++ {0.0} {} {T518.N} 121.90017 0.25596 0.66120 ++ {0.0} {} 0.0 21.4284 0 {} 0 0 0 178 {E462.H} 8.45608 0.02721 0.04668 ++ {0.0} {} {E462.N} 119.76464 0.19706 0.43160 ++ {0.0} {} 0.0 81.1261 0 {} 0 0 0 179 {V598.H} 8.25247 0.02005 0.03628 ++ {0.0} {} {V598.N} 126.96386 0.12454 0.25596 ++ {0.0} {} 0.0 91.4695 0 {} 0 0 0 180 {R484.H} 7.76273 0.02502 0.03927 ++ {0.0} {} {R484.N} 122.69650 0.18643 0.29663 ++ {0.0} {} 0.0 116.3260 0 {} 0 0 0 181 {T528.H} 7.05950 0.05758 0.06040 ++ {0.0} {} {T528.N} 108.87343 0.38209 0.40280 ++ {0.0} {} 0.0 1.4225 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 Proton . 'not observed' . ppm . . . . . . 53625 7 2 . . N 15 Nitrogen . 'not observed' . ppm . . . . . . 53625 7 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 53625 7 stop_ save_ save_spectral_peak_list_8 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_8 _Spectral_peak_list.Entry_ID 53625 _Spectral_peak_list.ID 8 _Spectral_peak_list.Name C_Fc_EEM_G2 _Spectral_peak_list.Sample_ID 4 _Spectral_peak_list.Sample_label $sample_4 _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 20 _Spectral_peak_list.Experiment_name '2D 1H-13C 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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 1H 13C s25r001-11_Chsqc_DG2-274.nv 2811.97680664 4238.30175781 700.132995605 176.050994873 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U 13C.L 13C.P 13C.W 13C.B 13C.E 13C.J 13C.U vol int stat comment flag0 flag8 flag9 0 {A660.HB1} 1.63948 0.04692 0.02861 ++ {0.0} {} {A660.CB} 19.13171 0.50620 0.40894 ++ {0.0} {} 0.0 7.0436 0 {} 0 0 0 1 {T588.HG21} 1.27692 0.03434 0.01527 ++ {0.0} {} {T588.CG2} 21.55033 0.40727 0.26296 ++ {0.0} {} 0.0 6.4300 0 {} 0 0 0 2 {V531.HG11} 1.20996 0.03718 0.07965 ++ {0.0} {} {V531.CG1} 22.43012 0.09960 0.24302 ++ {0.0} {} 0.0 50.5073 0 {} 0 0 0 3 {L670.HD11} 1.10099 0.04124 0.06917 ++ {0.0} {} {L670.CD1} 24.71952 0.16399 0.27265 ++ {0.0} {} 0.0 35.6864 0 {} 0 0 0 4 {L670.HD21} 1.11042 0.02717 0.06448 ++ {0.0} {} {L670.CD2} 26.50523 0.09112 0.23871 ++ {0.0} {} 0.0 90.2452 0 {} 0 0 0 5 {I565.HD11} 1.05557 0.03559 0.07175 ++ {0.0} {} {I565.CD1} 14.88599 0.07907 0.23370 ++ {0.0} {} 0.0 76.5008 0 {} 0 0 0 6 {L471.HD21} 1.00524 0.03272 0.09033 ++ {0.0} {} {L471.CD2} 25.02561 0.09565 0.22198 ++ {0.0} {} 0.0 183.3565 0 {} 0 0 0 7 {V491.HG11} 1.08537 0.03660 0.08562 ++ {0.0} {} {V491.CG1} 22.42208 0.16578 0.31359 ++ {0.0} {} 0.0 39.8126 0 {} 0 0 0 8 {V511.HG11} 1.01503 0.04879 0.04583 ++ {0.0} {} {V511.CG1} 21.06203 0.15414 0.14790 ++ {0.0} {} 0.0 9.5090 0 {} 0 0 0 9 {T536.HG21} 1.02698 0.05118 0.18376 ++ {0.0} {} {T536.CG2} 21.75643 0.14069 0.22111 ++ {0.0} {} 0.0 43.6604 0 {} 0 0 0 10 {T666.HG21} 0.97421 0.06205 0.01283 ++ {0.0} {} {T666.CG2} 19.63786 0.19749 0.05918 ++ {0.0} {} 0.0 5.6246 0 {} 0 0 0 11 {L580.HD11} 0.96353 0.03305 0.08202 ++ {0.0} {} {L580.CD1} 26.83328 0.07106 0.20127 ++ {0.0} {} 0.0 126.9544 0 {} 0 0 0 12 {L538.HD11} 0.96765 0.03054 0.08562 ++ {0.0} {} {L538.CD1} 23.87066 0.19381 0.45103 ++ {0.0} {} 0.0 207.4971 0 {} 0 0 0 13 {L464.HD11} 0.91110 0.05119 0.17851 ++ {0.0} {} {L463.CD1} 25.17259 0.14789 0.88402 ++ {0.0} {} 0.0 239.1225 0 {} 0 0 0 14 {V492.HG11} 0.94991 0.03904 0.08644 ++ {0.0} {} {V492.CG1} 23.53386 0.12726 0.24056 ++ {0.0} {} 0.0 123.1249 0 {} 0 0 0 15 {V511.HG21} 0.93871 0.04428 0.11987 ++ {0.0} {} {V511.CG2} 21.82367 0.09682 0.25539 ++ {0.0} {} 0.0 222.0678 0 {} 0 0 0 16 {L463.HD21} 0.86777 0.03975 0.09617 ++ {0.0} {} {L463.CD2} 23.95981 0.22551 0.32216 ++ {0.0} {} 0.0 149.6751 0 {} 0 0 0 17 {L661.HD21} 0.89345 0.03957 0.11987 ++ {0.0} {} {L661.CD2} 23.28045 0.16865 0.28964 ++ {0.0} {} 0.0 85.5536 0 {} 0 0 0 18 {L464.HD21} 0.85975 0.04447 0.11987 ++ {0.0} {} {L464.CD2} 23.74789 0.12227 0.25383 ++ {0.0} {} 0.0 194.3369 0 {} 0 0 0 19 {L543.HD21} 0.85211 0.03101 0.14488 ++ {0.0} {} {L543.CD2} 22.36317 0.12153 0.22402 ++ {0.0} {} 0.0 204.9551 0 {} 0 0 0 20 {L471.HD11} 0.80834 0.04949 0.08839 ++ {0.0} {} {L471.CD1} 27.55057 0.16357 0.23626 ++ {0.0} {} 0.0 29.6506 0 {} 0 0 0 21 {L543.HD11} 0.83388 0.04060 0.06957 ++ {0.0} {} {L543.CD1} 25.47678 0.12204 0.21822 ++ {0.0} {} 0.0 28.5366 0 {} 0 0 0 22 {V626.HG11} 0.83018 0.04332 0.12307 ++ {0.0} {} {V626.CG1} 21.98993 0.13322 0.30154 ++ {0.0} {} 0.0 182.5475 0 {} 0 0 0 23 {L635.HD21} 0.81344 0.03377 0.08329 ++ {0.0} {} {L635.CD2} 28.02557 0.08517 0.22999 ++ {0.0} {} 0.0 149.2362 0 {} 0 0 0 24 {V534.HG21} 0.79155 0.03973 0.10091 ++ {0.0} {} {V534.CG2} 21.14857 0.13389 0.24634 ++ {0.0} {} 0.0 102.3286 0 {} 0 0 0 25 {A516.HB1} 0.77970 0.05877 0.06880 ++ {0.0} {} {A516.CB} 19.94039 0.17657 0.19391 ++ {0.0} {} 0.0 11.4579 0 {} 0 0 0 26 {I561.HD11} 0.79882 0.03531 0.07235 ++ {0.0} {} {I561.CD1} 14.14211 0.15372 0.34969 ++ {0.0} {} 0.0 48.3795 0 {} 0 0 0 27 {V513.HG11} 0.77368 0.04455 0.07970 ++ {0.0} {} {V513.CG1} 19.73961 0.14323 0.23191 ++ {0.0} {} 0.0 32.1356 0 {} 0 0 0 28 {V469.HG11} 0.73256 0.04265 0.06685 ++ {0.0} {} {V469.CG1} 22.72865 0.18501 0.30406 ++ {0.0} {} 0.0 28.1161 0 {} 0 0 0 29 {V608.HG21} 0.74442 0.04317 0.12088 ++ {0.0} {} {V608.CG2} 22.33519 0.11504 0.23163 ++ {0.0} {} 0.0 202.2609 0 {} 0 0 0 30 {I561.HG21} 0.73651 0.05273 0.05702 ++ {0.0} {} {I561.CG2} 17.97456 0.29068 0.32395 ++ {0.0} {} 0.0 11.0402 0 {} 0 0 0 31 {L672.HD21} 0.73384 0.02954 0.08632 ++ {0.0} {} {L672.CD2} 24.14660 0.09898 0.22138 ++ {0.0} {} 0.0 373.0201 0 {} 0 0 0 32 {L627.HD11} 0.68662 0.02687 0.09127 ++ {0.0} {} {L627.CD1} 25.92030 0.09759 0.21876 ++ {0.0} {} 0.0 217.0400 0 {} 0 0 0 33 {V651.HG11} 0.97779 0.04083 0.08901 ++ {0.0} {} {V651.CG2} 21.47018 0.14305 0.37710 ++ {0.0} {} 0.0 45.3283 0 {} 0 0 0 34 {L635.HD11} 0.70335 0.03514 0.09701 ++ {0.0} {} {L635.CD1} 23.91942 0.09550 0.21724 ++ {0.0} {} 0.0 179.7163 0 {} 0 0 0 35 {L597.HD21} 0.67454 0.04276 0.11737 ++ {0.0} {} {L597.CD2} 25.22260 0.13689 0.22822 ++ {0.0} {} 0.0 106.8593 0 {} 0 0 0 36 {L661.HD11} 0.62429 0.03288 0.05828 ++ {0.0} {} {L661.CD1} 27.51844 0.11950 0.18448 ++ {0.0} {} 0.0 22.6138 0 {} 0 0 0 37 {L672.HD11} 0.65988 0.03827 0.08721 ++ {0.0} {} {L672.CD1} 25.48598 0.07279 0.22892 ++ {0.0} {} 0.0 343.1174 0 {} 0 0 0 38 {I482.HD11} 0.61774 0.03828 0.08266 ++ {0.0} {} {I482.CD1} 13.08572 0.08815 0.21960 ++ {0.0} {} 0.0 139.5825 0 {} 0 0 0 39 {V656.HG11} 0.56538 0.04200 0.10030 ++ {0.0} {} {V656.CG1} 22.85295 0.15713 0.25417 ++ {0.0} {} 0.0 115.1665 0 {} 0 0 0 40 {V552.HG21} 0.57112 0.04710 0.09926 ++ {0.0} {} {V552.CG2} 22.42585 0.08985 0.16412 ++ {0.0} {} 0.0 52.1159 0 {} 0 0 0 41 {V534.HG11} 0.67412 0.04389 0.11987 ++ {0.0} {} {V534.CG1} 21.96299 0.08438 0.20049 ++ {0.0} {} 0.0 332.0548 0 {} 0 0 0 42 {V577.HG11} 0.48852 0.01889 0.02788 ++ {0.0} {} {V577.CG1} 21.45248 0.04933 0.07280 ++ {0.0} {} 0.0 19.0722 0 {} 0 0 0 43 {V577.HG21} 0.48846 0.03623 0.08589 ++ {0.0} {} {V577.CG2} 21.10338 0.07352 0.17710 ++ {0.0} {} 0.0 130.1865 0 {} 0 0 0 44 {V608.HG21} 0.55588 0.04463 0.06403 ++ {0.0} {} {V608.CG2} 20.90103 0.09723 0.16857 ++ {0.0} {} 0.0 24.8214 0 {} 0 0 0 45 {I606.HG21} 0.57324 0.04267 0.03176 ++ {0.0} {} {I606.CG2} 15.77533 0.31150 0.25222 ++ {0.0} {} 0.0 8.1853 0 {} 0 0 0 46 {V508.HG11} 0.51675 0.04123 0.07398 ++ {0.0} {} {V508.CG1} 20.50183 0.15704 0.23476 ++ {0.0} {} 0.0 37.6952 0 {} 0 0 0 47 {V592.HG11} 0.48711 0.03940 0.09566 ++ {0.0} {} {V592.CG1} 21.58394 0.07889 0.20569 ++ {0.0} {} 0.0 158.8486 0 {} 0 0 0 48 {L535.HD11} 0.46162 0.03238 0.05499 ++ {0.0} {} {L535.CD1} 26.60444 0.10116 0.16590 ++ {0.0} {} 0.0 19.7301 0 {} 0 0 0 49 {L480.HD21} 0.40691 0.04529 0.06418 ++ {0.0} {} {L480.CD2} 25.07260 0.10665 0.16217 ++ {0.0} {} 0.0 18.9743 0 {} 0 0 0 50 {V598.HG21} 0.57369 0.04234 0.11086 ++ {0.0} {} {V598.CG2} 21.88904 0.08317 0.21448 ++ {0.0} {} 0.0 329.2691 0 {} 0 0 0 51 {V552.HG11} 0.35391 0.03941 0.07732 ++ {0.0} {} {V552.CG1} 20.70669 0.09304 0.22384 ++ {0.0} {} 0.0 41.0038 0 {} 0 0 0 52 {V502.HG11} 0.35243 0.03812 0.08435 ++ {0.0} {} {V502.CG1} 22.97068 0.11372 0.21753 ++ {0.0} {} 0.0 53.1351 0 {} 0 0 0 53 {V641.HG11} 0.24795 0.03323 0.11936 ++ {0.0} {} {V641.CG1} 19.72419 0.08570 0.22444 ++ {0.0} {} 0.0 279.1941 0 {} 0 0 0 54 {L535.HD21} 0.24782 0.04859 0.13991 ++ {0.0} {} {L535.CD2} 23.12284 0.07347 0.23283 ++ {0.0} {} 0.0 169.9771 0 {} 0 0 0 55 {V537.HG11} 0.24269 0.04639 0.08324 ++ {0.0} {} {V537.CG1} 19.52860 0.15755 0.22037 ++ {0.0} {} 0.0 49.4671 0 {} 0 0 0 56 {L597.HD11} 0.13763 0.04087 0.09546 ++ {0.0} {} {L597.CD1} 21.19484 0.10240 0.21881 ++ {0.0} {} 0.0 131.2808 0 {} 0 0 0 57 {V592.HG21} 0.13458 0.04142 0.10444 ++ {0.0} {} {V592.CG2} 17.78635 0.07678 0.20443 ++ {0.0} {} 0.0 200.8882 0 {} 0 0 0 58 {L594.HD21} -0.06558 0.04063 0.10016 ++ {0.0} {} {L594.CD2} 25.09087 0.08289 0.23498 ++ {0.0} {} 0.0 226.8006 0 {} 0 0 0 59 {L594.HD11} -0.13670 0.03721 0.09473 ++ {0.0} {} {L594.CD1} 24.00779 0.11697 0.41713 ++ {0.0} {} 0.0 227.2365 0 {} 0 0 0 60 {I606.HD11} -0.61584 0.04077 0.09196 ++ {0.0} {} {I606.CD1} 13.20486 0.10455 0.22292 ++ {0.0} {} 0.0 105.4390 0 {} 0 0 0 61 {I565.HG21} 1.12990 0.04749 0.06810 ++ {0.0} {} {I565.CG2} 17.86766 0.31470 0.48382 ++ {0.0} {} 0.0 4.3864 0 {} 0 0 0 62 {V656.HG21} 0.49556 0.03972 0.05878 ++ {0.0} {} {V656.CG2} 22.37029 0.06674 0.09541 ++ {0.0} {} 0.0 163.2579 0 {} 0 0 0 63 {V537.HG21} 0.41732 0.03881 0.04080 ++ {0.0} {} {V537.CG1} 23.43269 0.07959 0.08349 ++ {0.0} {} 0.0 97.9305 0 {} 0 0 0 64 {V598.HG11} 0.57425 0.03881 0.04080 ++ {0.0} {} {V598.CG1} 23.55298 0.07959 0.08349 ++ {0.0} {} 0.0 97.9305 0 {} 0 0 0 65 {I482.HD21} 0.79048 0.05273 0.05702 ++ {0.0} {} {I482.CD2} 18.03077 0.29068 0.32395 ++ {0.0} {} 0.0 11.0402 0 {} 0 0 0 66 {V651.HG21} 0.90616 0.04710 0.05668 ++ {0.0} {} {V651.CG1} 21.56565 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0 67 {T564.HG21} 1.00124 0.04710 0.05668 ++ {0.0} {} {T564.CG2} 21.45953 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0 68 {V626.HG21} 0.82675 0.04710 0.05668 ++ {0.0} {} {V626.CG2} 22.08072 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0 69 {V508.HG21} 0.96529 0.04710 0.05668 ++ {0.0} {} {V508.CG2} 21.35863 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0 70 {V531.HG21} 0.97046 0.04710 0.05668 ++ {0.0} {} {V531.CG2} 21.19864 0.10777 0.13781 ++ {0.0} {} 0.0 40.9757 0 {} 0 0 0 71 {V469.HG11} 0.67761 0.04083 0.05942 ++ {0.0} {} {V469.CG1} 21.79606 0.14305 0.20386 ++ {0.0} {} 0.0 45.3283 0 {} 0 0 0 72 {V532.HG11} 0.98631 0.05011 0.06982 ++ {0.0} {} {V532.CG1} 21.98313 0.14069 0.18667 ++ {0.0} {} 0.0 43.6604 0 {} 0 0 0 73 {A607.HB1} 1.31673 0.04946 0.04161 ++ {0.0} {} {A607.CB} 22.06581 0.54703 0.49428 ++ {0.0} {} 0.0 6.6121 0 {} 0 0 0 74 {V513.HG21} 0.96750 0.03183 0.07386 ++ {0.0} {} {V513.CG2} 21.75675 0.09682 0.22325 ++ {0.0} {} 0.0 222.0680 0 {} 0 0 0 75 {L480.HD11} 0.11873 0.04087 0.07759 ++ {0.0} {} {L48.CD1} 21.00508 0.08771 0.20096 ++ {0.0} {} 0.0 131.2810 0 {} 0 0 0 76 {L627.HD21} 0.22154 0.03812 0.06102 ++ {0.0} {} {L627.CD2} 23.15640 0.10704 0.18048 ++ {0.0} {} 0.0 53.1351 0 {} 0 0 0 77 {L639.HD11} 0.45122 0.03881 0.05968 ++ {0.0} {} {L639.CD1} 23.50599 0.07959 0.12043 ++ {0.0} {} 0.0 97.9305 0 {} 0 0 0 78 {T579.HG21} 0.93600 0.03957 0.04450 ++ {0.0} {} {T579.CG2} 23.20942 0.16865 0.18315 ++ {0.0} {} 0.0 85.5536 0 {} 0 0 0 79 {V488.HG11} 0.89199 0.03957 0.04450 ++ {0.0} {} {V488.CG1} 23.17243 0.16865 0.18315 ++ {0.0} {} 0.0 85.5536 0 {} 0 0 0 80 {L538.HD21} 1.00524 0.03272 0.05686 ++ {0.0} {} {L538.CD1} 25.02561 0.09565 0.17251 ++ {0.0} {} 0.0 183.3560 0 {} 0 0 0 81 {V488.HG21} 0.45723 0.03972 0.06384 ++ {0.0} {} {V488.CG2} 22.01469 0.06674 0.10302 ++ {0.0} {} 0.0 163.2580 0 {} 0 0 0 82 {A568.HB1} 1.44643 0.05055 0.04902 ++ {0.0} {} {A568.CB} 19.23934 0.52953 0.51505 ++ {0.0} {} 0.0 4.9338 0 {} 0 0 0 83 {L463.HD11} 0.90049 0.04060 0.03759 ++ {0.0} {} {L463.CD1} 25.52407 0.12204 0.11357 ++ {0.0} {} 0.0 28.5366 0 {} 0 0 0 84 {V491.HG21} 0.96459 0.07628 0.10897 ++ {0.0} {} {V491.CG2} 21.48973 0.34395 0.18522 ++ {0.0} {} 0.0 23.8916 0 {} 0 0 0 85 {V492.HG21} 0.97367 0.03660 0.01792 ++ {0.0} {} {V492.CG2} 21.96157 0.16578 0.10117 ++ {0.0} {} 0.0 39.8126 0 {} 0 0 0 86 {L580.HD21} 0.95062 0.03054 0.08363 ++ {0.0} {} {L580.CD2} 23.63880 0.19381 0.34286 ++ {0.0} {} 0.0 207.4970 0 {} 0 0 0 87 {V502.HG21} 0.79179 0.03101 0.06672 ++ {0.0} {} {V502.CD2} 22.46372 0.12153 0.19904 ++ {0.0} {} 0.0 204.9550 0 {} 0 0 0 88 {V532.HG21} 0.83104 0.04083 0.03875 ++ {0.0} {} {V532.CG2} 22.17687 0.14305 0.13620 ++ {0.0} {} 0.0 45.3283 0 {} 0 0 0 89 {L639.HD11} 0.02941 0.04257 0.05340 ++ {0.0} {} {L639.CD1} 26.92215 0.07102 0.09376 ++ {0.0} {} 0.0 70.1462 0 {} 0 0 0 90 {V641.HG21} 0.41105 0.04234 0.06625 ++ {0.0} {} {V641.CG1} 21.77920 0.08317 0.15129 ++ {0.0} {} 0.0 329.2690 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 Proton . 'not observed' . ppm . . . . . . 53625 8 2 . . N 15 Nitrogen . 'not observed' . ppm . . . . . . 53625 8 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 53625 8 stop_ save_