############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_1 _Heteronucl_NOE_list.Entry_ID 5550 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $Condition_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5550 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 6 6 ASP N N 15 . 1 1 6 6 ASP H H 1 -3.29 0.33 . . . . . . . . . . 5550 1 2 . 1 1 7 7 ASN N N 15 . 1 1 7 7 ASN H H 1 -2.21 0.22 . . . . . . . . . . 5550 1 3 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 -1.39 0.14 . . . . . . . . . . 5550 1 4 . 1 1 10 10 GLU N N 15 . 1 1 10 10 GLU H H 1 -0.85 0.08 . . . . . . . . . . 5550 1 5 . 1 1 11 11 ASP N N 15 . 1 1 11 11 ASP H H 1 -0.76 0.08 . . . . . . . . . . 5550 1 6 . 1 1 12 12 ALA N N 15 . 1 1 12 12 ALA H H 1 -0.68 0.07 . . . . . . . . . . 5550 1 7 . 1 1 14 14 ALA N N 15 . 1 1 14 14 ALA H H 1 -0.33 0.03 . . . . . . . . . . 5550 1 8 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.08 0.01 . . . . . . . . . . 5550 1 9 . 1 1 16 16 ASP N N 15 . 1 1 16 16 ASP H H 1 0.34 0.03 . . . . . . . . . . 5550 1 10 . 1 1 17 17 LEU N N 15 . 1 1 17 17 LEU H H 1 0.56 0.06 . . . . . . . . . . 5550 1 11 . 1 1 18 18 ALA N N 15 . 1 1 18 18 ALA H H 1 0.73 0.07 . . . . . . . . . . 5550 1 12 . 1 1 19 19 ARG N N 15 . 1 1 19 19 ARG H H 1 0.71 0.07 . . . . . . . . . . 5550 1 13 . 1 1 20 20 TYR N N 15 . 1 1 20 20 TYR H H 1 0.61 0.06 . . . . . . . . . . 5550 1 14 . 1 1 21 21 TYR N N 15 . 1 1 21 21 TYR H H 1 0.7 0.07 . . . . . . . . . . 5550 1 15 . 1 1 22 22 SER N N 15 . 1 1 22 22 SER H H 1 0.69 0.07 . . . . . . . . . . 5550 1 16 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.74 0.07 . . . . . . . . . . 5550 1 17 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.7 0.07 . . . . . . . . . . 5550 1 18 . 1 1 25 25 ARG N N 15 . 1 1 25 25 ARG H H 1 0.83 0.08 . . . . . . . . . . 5550 1 19 . 1 1 26 26 HIS N N 15 . 1 1 26 26 HIS H H 1 0.74 0.07 . . . . . . . . . . 5550 1 20 . 1 1 27 27 TYR N N 15 . 1 1 27 27 TYR H H 1 0.7 0.07 . . . . . . . . . . 5550 1 21 . 1 1 28 28 ILE N N 15 . 1 1 28 28 ILE H H 1 0.76 0.08 . . . . . . . . . . 5550 1 22 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.67 0.07 . . . . . . . . . . 5550 1 23 . 1 1 30 30 LEU N N 15 . 1 1 30 30 LEU H H 1 0.67 0.07 . . . . . . . . . . 5550 1 24 . 1 1 31 31 ILE N N 15 . 1 1 31 31 ILE H H 1 0.6 0.06 . . . . . . . . . . 5550 1 25 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.67 0.07 . . . . . . . . . . 5550 1 26 . 1 1 33 33 ARG N N 15 . 1 1 33 33 ARG H H 1 0.65 0.06 . . . . . . . . . . 5550 1 27 . 1 1 34 34 GLN N N 15 . 1 1 34 34 GLN H H 1 0.57 0.06 . . . . . . . . . . 5550 1 28 . 1 1 35 35 ARG N N 15 . 1 1 35 35 ARG H H 1 0.44 0.04 . . . . . . . . . . 5550 1 29 . 1 1 36 36 TYR N N 15 . 1 1 36 36 TYR H H 1 0.39 0.04 . . . . . . . . . . 5550 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_2 _Heteronucl_NOE_list.Entry_ID 5550 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $Condition_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5550 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 3 3 SER N N 15 . 1 1 3 3 SER H H 1 -1.7 0.06 . . . . . . . . . . 5550 2 2 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 -1.03 0.05 . . . . . . . . . . 5550 2 3 . 1 1 6 6 ASP N N 15 . 1 1 6 6 ASP H H 1 -0.8 0.05 . . . . . . . . . . 5550 2 4 . 1 1 7 7 ASN N N 15 . 1 1 7 7 ASN H H 1 -0.67 0.05 . . . . . . . . . . 5550 2 5 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 -0.43 0.05 . . . . . . . . . . 5550 2 6 . 1 1 10 10 GLU N N 15 . 1 1 10 10 GLU H H 1 -0.33 0.05 . . . . . . . . . . 5550 2 7 . 1 1 11 11 ASP N N 15 . 1 1 11 11 ASP H H 1 -0.39 0.05 . . . . . . . . . . 5550 2 8 . 1 1 12 12 ALA N N 15 . 1 1 12 12 ALA H H 1 -0.24 0.05 . . . . . . . . . . 5550 2 9 . 1 1 14 14 ALA N N 15 . 1 1 14 14 ALA H H 1 0.07 0.05 . . . . . . . . . . 5550 2 10 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.04 0.05 . . . . . . . . . . 5550 2 11 . 1 1 16 16 ASP N N 15 . 1 1 16 16 ASP H H 1 0.15 0.05 . . . . . . . . . . 5550 2 12 . 1 1 17 17 LEU N N 15 . 1 1 17 17 LEU H H 1 0.13 0.05 . . . . . . . . . . 5550 2 13 . 1 1 18 18 ALA N N 15 . 1 1 18 18 ALA H H 1 0.17 0.05 . . . . . . . . . . 5550 2 14 . 1 1 19 19 ARG N N 15 . 1 1 19 19 ARG H H 1 0.21 0.05 . . . . . . . . . . 5550 2 15 . 1 1 20 20 TYR N N 15 . 1 1 20 20 TYR H H 1 0.2 0.05 . . . . . . . . . . 5550 2 16 . 1 1 21 21 TYR N N 15 . 1 1 21 21 TYR H H 1 0.39 0.05 . . . . . . . . . . 5550 2 17 . 1 1 22 22 SER N N 15 . 1 1 22 22 SER H H 1 0.25 0.05 . . . . . . . . . . 5550 2 18 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.25 0.05 . . . . . . . . . . 5550 2 19 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.23 0.05 . . . . . . . . . . 5550 2 20 . 1 1 25 25 ARG N N 15 . 1 1 25 25 ARG H H 1 0.18 0.05 . . . . . . . . . . 5550 2 21 . 1 1 26 26 HIS N N 15 . 1 1 26 26 HIS H H 1 0.22 0.05 . . . . . . . . . . 5550 2 22 . 1 1 27 27 TYR N N 15 . 1 1 27 27 TYR H H 1 0.03 0.05 . . . . . . . . . . 5550 2 23 . 1 1 28 28 ILE N N 15 . 1 1 28 28 ILE H H 1 -0.02 0.05 . . . . . . . . . . 5550 2 24 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.1 0.05 . . . . . . . . . . 5550 2 25 . 1 1 30 30 LEU N N 15 . 1 1 30 30 LEU H H 1 0.03 0.05 . . . . . . . . . . 5550 2 26 . 1 1 31 31 ILE N N 15 . 1 1 31 31 ILE H H 1 -0.03 0.05 . . . . . . . . . . 5550 2 27 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 -0.06 0.05 . . . . . . . . . . 5550 2 28 . 1 1 33 33 ARG N N 15 . 1 1 33 33 ARG H H 1 -0.21 0.05 . . . . . . . . . . 5550 2 29 . 1 1 34 34 GLN N N 15 . 1 1 34 34 GLN H H 1 -0.6 0.05 . . . . . . . . . . 5550 2 30 . 1 1 35 35 ARG N N 15 . 1 1 35 35 ARG H H 1 -0.79 0.05 . . . . . . . . . . 5550 2 31 . 1 1 36 36 TYR N N 15 . 1 1 36 36 TYR H H 1 -0.99 0.05 . . . . . . . . . . 5550 2 stop_ save_