############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 51144 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name hetNOE _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 9 '1H-15N heteronoe' . . . 51144 1 10 '1H-15N heteronoe' . . . 51144 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 2 $software_2 . . 51144 1 6 $software_6 . . 51144 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 G H1 H 1 . 1 1 2 2 G N1 N 15 0.633574881 0.032491304 24 44 . . . . . . . . 51144 1 2 . 1 1 4 4 G H1 H 1 . 1 1 4 4 G N1 N 15 0.644785966 0.015599935 73 93 . . . . . . . . 51144 1 3 . 1 1 5 5 G H1 H 1 . 1 1 5 5 G N1 N 15 0.722290906 0.030993736 99 119 . . . . . . . . 51144 1 4 . 1 1 6 6 G H1 H 1 . 1 1 6 6 G N1 N 15 0.680390289 0.016809765 125 145 . . . . . . . . 51144 1 5 . 1 1 7 7 G H1 H 1 . 1 1 7 7 G N1 N 15 0.852796636 0.056345415 151 171 . . . . . . . . 51144 1 6 . 1 1 8 8 4SU H3 H 1 . 1 1 8 8 4SU N3 N 15 0.735566042 0.052686138 177 196 . . . . . . . . 51144 1 7 . 1 1 12 12 G H1 H 1 . 1 1 12 12 G N1 N 15 0.700061724 0.034221553 277 297 . . . . . . . . 51144 1 8 . 1 1 15 15 G H1 H 1 . 1 1 15 15 G N1 N 15 0.744463466 0.085481262 352 372 . . . . . . . . 51144 1 9 . 1 1 19 19 G H1 H 1 . 1 1 19 19 G N1 N 15 0.676276581 0.034834274 446 466 . . . . . . . . 51144 1 10 . 1 1 21 21 H2U H1 H 1 . 1 1 21 21 H2U N3 N 15 0.074576951 0.111960979 472 519 . . . . . . . . 51144 1 11 . 1 1 23 23 G H1 H 1 . 1 1 23 23 G N1 N 15 0.644785966 0.015599935 548 568 . . . . . . . . 51144 1 12 . 1 1 25 25 U H3 H 1 . 1 1 25 25 U N3 N 15 0.446578088 0.075398195 597 616 . . . . . . . . 51144 1 13 . 1 1 28 28 U H3 H 1 . 1 1 28 28 U N3 N 15 0.748966394 0.059932839 668 687 . . . . . . . . 51144 1 14 . 1 1 30 30 G H1 H 1 . 1 1 30 30 G N1 N 15 0.766122905 0.036765236 713 733 . . . . . . . . 51144 1 15 . 1 1 31 31 G H1 H 1 . 1 1 31 31 G N1 N 15 0.489032878 0.109307815 739 759 . . . . . . . . 51144 1 16 . 1 1 32 32 G H1 H 1 . 1 1 32 32 G N1 N 15 0.680390289 0.016809765 765 785 . . . . . . . . 51144 1 17 . 1 1 50 50 G H1 H 1 . 1 1 50 50 G N1 N 15 0.581649175 0.024322085 1204 1224 . . . . . . . . 51144 1 18 . 1 1 51 51 U H3 H 1 . 1 1 51 51 U N3 N 15 0.753588064 0.026938041 1230 1249 . . . . . . . . 51144 1 19 . 1 1 53 53 G H1 H 1 . 1 1 53 53 G N1 N 15 0.838094814 0.024270762 1275 1295 . . . . . . . . 51144 1 20 . 1 1 54 54 G H1 H 1 . 1 1 54 54 G N1 N 15 0.758923948 0.027095114 1301 1321 . . . . . . . . 51144 1 21 . 1 1 55 55 5MU H3 H 1 . 1 1 55 55 5MU N3 N 15 0.740857388 0.01583736 1327 1348 . . . . . . . . 51144 1 22 . 1 1 56 56 PSU H1 H 1 . 1 1 56 56 PSU N1 N 15 0.790072555 0.023104054 1351 1369 . . . . . . . . 51144 1 23 . 1 1 56 56 PSU H3 H 1 . 1 1 56 56 PSU N3 N 15 0.738272414 0.020607073 1352 1370 . . . . . . . . 51144 1 24 . 1 1 64 64 G H1 H 1 . 1 1 64 64 G N1 N 15 0.786827093 0.025689073 1542 1562 . . . . . . . . 51144 1 25 . 1 1 65 65 G H1 H 1 . 1 1 65 65 G N1 N 15 0.66250649 0.027003259 1568 1588 . . . . . . . . 51144 1 26 . 1 1 71 71 G H1 H 1 . 1 1 71 71 G N1 N 15 0.699477715 0.019412094 1709 1729 . . . . . . . . 51144 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_2 _Heteronucl_NOE_list.Entry_ID 51144 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name hetNOE _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 9 '1H-15N heteronoe' . . . 51144 2 10 '1H-15N heteronoe' . . . 51144 2 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 2 $software_2 . . 51144 2 6 $software_6 . . 51144 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 G H1 H 1 . 1 1 2 2 G N1 N 15 0.592327265 0.016392713 24 44 . . . . . . . . 51144 2 2 . 1 1 4 4 G H1 H 1 . 1 1 4 4 G N1 N 15 0.665408536 0.010563775 73 93 . . . . . . . . 51144 2 3 . 1 1 5 5 G H1 H 1 . 1 1 5 5 G N1 N 15 0.748434868 0.016176755 99 119 . . . . . . . . 51144 2 4 . 1 1 6 6 G H1 H 1 . 1 1 6 6 G N1 N 15 0.640706134 0.011675199 125 145 . . . . . . . . 51144 2 5 . 1 1 7 7 G H1 H 1 . 1 1 7 7 G N1 N 15 0.81857537 0.024045736 151 171 . . . . . . . . 51144 2 6 . 1 1 8 8 4SU H3 H 1 . 1 1 8 8 4SU N3 N 15 0.925830401 0.092788318 177 196 . . . . . . . . 51144 2 7 . 1 1 12 12 G H1 H 1 . 1 1 12 12 G N1 N 15 0.787847435 0.03182495 277 297 . . . . . . . . 51144 2 8 . 1 1 15 15 G H1 H 1 . 1 1 15 15 G N1 N 15 0.643882949 0.048806644 352 372 . . . . . . . . 51144 2 9 . 1 1 19 19 G H1 H 1 . 1 1 19 19 G N1 N 15 0.800014382 0.025429408 446 466 . . . . . . . . 51144 2 10 . 1 1 21 21 H2U H1 H 1 . 1 1 21 21 H2U N3 N 15 0.136012773 0.043058721 472 519 . . . . . . . . 51144 2 11 . 1 1 23 23 G H1 H 1 . 1 1 23 23 G N1 N 15 0.665408536 0.010563775 548 568 . . . . . . . . 51144 2 12 . 1 1 25 25 U H3 H 1 . 1 1 25 25 U N3 N 15 0.744027806 0.094667139 597 616 . . . . . . . . 51144 2 13 . 1 1 28 28 U H3 H 1 . 1 1 28 28 U N3 N 15 0.961494598 0.090647128 668 687 . . . . . . . . 51144 2 14 . 1 1 30 30 G H1 H 1 . 1 1 30 30 G N1 N 15 0.618030094 0.035425397 713 733 . . . . . . . . 51144 2 15 . 1 1 31 31 G H1 H 1 . 1 1 31 31 G N1 N 15 0.662660883 0.049851355 739 759 . . . . . . . . 51144 2 16 . 1 1 32 32 G H1 H 1 . 1 1 32 32 G N1 N 15 0.640706134 0.011675199 765 785 . . . . . . . . 51144 2 17 . 1 1 50 50 G H1 H 1 . 1 1 50 50 G N1 N 15 0.654956754 0.024169931 1204 1224 . . . . . . . . 51144 2 18 . 1 1 51 51 U H3 H 1 . 1 1 51 51 U N3 N 15 0.651086554 0.02313719 1230 1249 . . . . . . . . 51144 2 19 . 1 1 53 53 G H1 H 1 . 1 1 53 53 G N1 N 15 0.731540881 0.016044163 1275 1295 . . . . . . . . 51144 2 20 . 1 1 54 54 G H1 H 1 . 1 1 54 54 G N1 N 15 0.60413576 0.018410167 1301 1321 . . . . . . . . 51144 2 21 . 1 1 55 55 5MU H3 H 1 . 1 1 55 55 5MU N3 N 15 0.648438986 0.016631641 1327 1348 . . . . . . . . 51144 2 22 . 1 1 56 56 PSU H1 H 1 . 1 1 56 56 PSU N1 N 15 0.825090076 0.019342942 1351 1369 . . . . . . . . 51144 2 23 . 1 1 56 56 PSU H3 H 1 . 1 1 56 56 PSU N3 N 15 0.688534962 0.016905123 1352 1370 . . . . . . . . 51144 2 24 . 1 1 64 64 G H1 H 1 . 1 1 64 64 G N1 N 15 0.654415785 0.020166895 1542 1562 . . . . . . . . 51144 2 25 . 1 1 65 65 G H1 H 1 . 1 1 65 65 G N1 N 15 0.764222907 0.017845234 1568 1588 . . . . . . . . 51144 2 26 . 1 1 71 71 G H1 H 1 . 1 1 71 71 G N1 N 15 0.461498911 0.024936908 1709 1729 . . . . . . . . 51144 2 stop_ save_