############################## # 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 5548 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_cond_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 . 5548 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 4 4 GLU H H 1 . 1 1 4 4 GLU N N 15 -1.33 . . . . . . . . . . . 5548 1 2 . 1 1 6 6 GLU H H 1 . 1 1 6 6 GLU N N 15 -0.62 . . . . . . . . . . . 5548 1 3 . 1 1 7 7 TYR H H 1 . 1 1 7 7 TYR N N 15 -0.68 . . . . . . . . . . . 5548 1 4 . 1 1 9 9 GLY H H 1 . 1 1 9 9 GLY N N 15 -0.49 . . . . . . . . . . . 5548 1 5 . 1 1 10 10 ASP H H 1 . 1 1 10 10 ASP N N 15 -0.36 . . . . . . . . . . . 5548 1 6 . 1 1 11 11 ASN H H 1 . 1 1 11 11 ASN N N 15 -0.17 . . . . . . . . . . . 5548 1 7 . 1 1 12 12 ALA H H 1 . 1 1 12 12 ALA N N 15 -0.12 . . . . . . . . . . . 5548 1 8 . 1 1 13 13 THR H H 1 . 1 1 13 13 THR N N 15 0.17 . . . . . . . . . . . 5548 1 9 . 1 1 15 15 GLU H H 1 . 1 1 15 15 GLU N N 15 0.38 . . . . . . . . . . . 5548 1 10 . 1 1 16 16 GLN H H 1 . 1 1 16 16 GLN N N 15 0.42 . . . . . . . . . . . 5548 1 11 . 1 1 17 17 MET H H 1 . 1 1 17 17 MET N N 15 0.65 . . . . . . . . . . . 5548 1 12 . 1 1 18 18 ALA H H 1 . 1 1 18 18 ALA N N 15 0.57 . . . . . . . . . . . 5548 1 13 . 1 1 19 19 GLN H H 1 . 1 1 19 19 GLN N N 15 0.56 . . . . . . . . . . . 5548 1 14 . 1 1 23 23 GLU H H 1 . 1 1 23 23 GLU N N 15 0.54 . . . . . . . . . . . 5548 1 15 . 1 1 24 24 LEU H H 1 . 1 1 24 24 LEU N N 15 0.79 . . . . . . . . . . . 5548 1 16 . 1 1 25 25 ARG H H 1 . 1 1 25 25 ARG N N 15 0.69 . . . . . . . . . . . 5548 1 17 . 1 1 26 26 ARG H H 1 . 1 1 26 26 ARG N N 15 0.69 . . . . . . . . . . . 5548 1 18 . 1 1 27 27 TYR H H 1 . 1 1 27 27 TYR N N 15 0.66 . . . . . . . . . . . 5548 1 19 . 1 1 28 28 ILE H H 1 . 1 1 28 28 ILE N N 15 0.67 . . . . . . . . . . . 5548 1 20 . 1 1 29 29 ASN H H 1 . 1 1 29 29 ASN N N 15 0.69 . . . . . . . . . . . 5548 1 21 . 1 1 30 30 MET H H 1 . 1 1 30 30 MET N N 15 0.65 . . . . . . . . . . . 5548 1 22 . 1 1 31 31 LEU H H 1 . 1 1 31 31 LEU N N 15 0.65 . . . . . . . . . . . 5548 1 23 . 1 1 32 32 THR H H 1 . 1 1 32 32 THR N N 15 0.51 . . . . . . . . . . . 5548 1 24 . 1 1 33 33 ARG H H 1 . 1 1 33 33 ARG N N 15 0.47 . . . . . . . . . . . 5548 1 25 . 1 1 35 35 ARG H H 1 . 1 1 35 35 ARG N N 15 -0.3 . . . . . . . . . . . 5548 1 26 . 1 1 36 36 TYR H H 1 . 1 1 36 36 TYR N N 15 -0.05 . . . . . . . . . . . 5548 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 5548 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_cond_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 . . 2 $sample_2 . 5548 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 LEU H H 1 . 1 1 3 3 LEU N N 15 -0.08 0.07 . . . . . . . . . . 5548 2 2 . 1 1 4 4 GLU H H 1 . 1 1 4 4 GLU N N 15 0.29 0.07 . . . . . . . . . . 5548 2 3 . 1 1 6 6 GLU H H 1 . 1 1 6 6 GLU N N 15 0.52 0.07 . . . . . . . . . . 5548 2 4 . 1 1 7 7 TYR H H 1 . 1 1 7 7 TYR N N 15 0.7 0.07 . . . . . . . . . . 5548 2 5 . 1 1 10 10 ASP H H 1 . 1 1 10 10 ASP N N 15 0.63 0.06 . . . . . . . . . . 5548 2 6 . 1 1 11 11 ASN H H 1 . 1 1 11 11 ASN N N 15 0.68 0.07 . . . . . . . . . . 5548 2 7 . 1 1 12 12 ALA H H 1 . 1 1 12 12 ALA N N 15 0.68 0.06 . . . . . . . . . . 5548 2 8 . 1 1 13 13 THR H H 1 . 1 1 13 13 THR N N 15 0.66 0.07 . . . . . . . . . . 5548 2 9 . 1 1 15 15 GLU H H 1 . 1 1 15 15 GLU N N 15 0.63 0.06 . . . . . . . . . . 5548 2 10 . 1 1 16 16 GLN H H 1 . 1 1 16 16 GLN N N 15 0.69 0.07 . . . . . . . . . . 5548 2 11 . 1 1 17 17 MET H H 1 . 1 1 17 17 MET N N 15 0.72 0.07 . . . . . . . . . . 5548 2 12 . 1 1 18 18 ALA H H 1 . 1 1 18 18 ALA N N 15 0.74 0.07 . . . . . . . . . . 5548 2 13 . 1 1 19 19 GLN H H 1 . 1 1 19 19 GLN N N 15 0.72 0.07 . . . . . . . . . . 5548 2 14 . 1 1 20 20 TYR H H 1 . 1 1 20 20 TYR N N 15 0.7 0.07 . . . . . . . . . . 5548 2 15 . 1 1 21 21 ALA H H 1 . 1 1 21 21 ALA N N 15 0.71 0.07 . . . . . . . . . . 5548 2 16 . 1 1 23 23 GLU H H 1 . 1 1 23 23 GLU N N 15 0.73 0.07 . . . . . . . . . . 5548 2 17 . 1 1 24 24 LEU H H 1 . 1 1 24 24 LEU N N 15 0.71 0.07 . . . . . . . . . . 5548 2 18 . 1 1 25 25 ARG H H 1 . 1 1 25 25 ARG N N 15 0.71 0.07 . . . . . . . . . . 5548 2 19 . 1 1 28 28 ILE H H 1 . 1 1 28 28 ILE N N 15 0.7 0.07 . . . . . . . . . . 5548 2 20 . 1 1 29 29 ASN H H 1 . 1 1 29 29 ASN N N 15 0.75 0.07 . . . . . . . . . . 5548 2 21 . 1 1 30 30 MET H H 1 . 1 1 30 30 MET N N 15 0.61 0.06 . . . . . . . . . . 5548 2 22 . 1 1 31 31 LEU H H 1 . 1 1 31 31 LEU N N 15 0.69 0.07 . . . . . . . . . . 5548 2 23 . 1 1 32 32 THR H H 1 . 1 1 32 32 THR N N 15 0.63 0.06 . . . . . . . . . . 5548 2 24 . 1 1 33 33 ARG H H 1 . 1 1 33 33 ARG N N 15 0.41 0.07 . . . . . . . . . . 5548 2 25 . 1 1 35 35 ARG H H 1 . 1 1 35 35 ARG N N 15 -0.14 0.07 . . . . . . . . . . 5548 2 26 . 1 1 36 36 TYR H H 1 . 1 1 36 36 TYR N N 15 -0.57 0.1 . . . . . . . . . . 5548 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_3 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_3 _Heteronucl_NOE_list.Entry_ID 5548 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_cond_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _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 . . 2 $sample_2 . 5548 3 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 LEU H H 1 . 1 1 3 3 LEU N N 15 0.01 0.07 . . . . . . . . . . 5548 3 2 . 1 1 4 4 GLU H H 1 . 1 1 4 4 GLU N N 15 0.38 0.07 . . . . . . . . . . 5548 3 3 . 1 1 6 6 GLU H H 1 . 1 1 6 6 GLU N N 15 0.59 0.07 . . . . . . . . . . 5548 3 4 . 1 1 7 7 TYR H H 1 . 1 1 7 7 TYR N N 15 0.8 0.08 . . . . . . . . . . 5548 3 5 . 1 1 10 10 ASP H H 1 . 1 1 10 10 ASP N N 15 0.74 0.07 . . . . . . . . . . 5548 3 6 . 1 1 11 11 ASN H H 1 . 1 1 11 11 ASN N N 15 0.68 0.07 . . . . . . . . . . 5548 3 7 . 1 1 12 12 ALA H H 1 . 1 1 12 12 ALA N N 15 0.71 0.08 . . . . . . . . . . 5548 3 8 . 1 1 13 13 THR H H 1 . 1 1 13 13 THR N N 15 0.78 0.08 . . . . . . . . . . 5548 3 9 . 1 1 15 15 GLU H H 1 . 1 1 15 15 GLU N N 15 0.73 0.07 . . . . . . . . . . 5548 3 10 . 1 1 16 16 GLN H H 1 . 1 1 16 16 GLN N N 15 0.79 0.08 . . . . . . . . . . 5548 3 11 . 1 1 17 17 MET H H 1 . 1 1 17 17 MET N N 15 0.8 0.08 . . . . . . . . . . 5548 3 12 . 1 1 18 18 ALA H H 1 . 1 1 18 18 ALA N N 15 0.78 0.08 . . . . . . . . . . 5548 3 13 . 1 1 19 19 GLN H H 1 . 1 1 19 19 GLN N N 15 0.78 0.08 . . . . . . . . . . 5548 3 14 . 1 1 20 20 TYR H H 1 . 1 1 20 20 TYR N N 15 0.8 0.08 . . . . . . . . . . 5548 3 15 . 1 1 21 21 ALA H H 1 . 1 1 21 21 ALA N N 15 0.81 0.08 . . . . . . . . . . 5548 3 16 . 1 1 22 22 ALA H H 1 . 1 1 22 22 ALA N N 15 0.73 0.07 . . . . . . . . . . 5548 3 17 . 1 1 23 23 GLU H H 1 . 1 1 23 23 GLU N N 15 0.78 0.08 . . . . . . . . . . 5548 3 18 . 1 1 24 24 LEU H H 1 . 1 1 24 24 LEU N N 15 0.82 0.08 . . . . . . . . . . 5548 3 19 . 1 1 25 25 ARG H H 1 . 1 1 25 25 ARG N N 15 0.85 0.09 . . . . . . . . . . 5548 3 20 . 1 1 26 26 ARG H H 1 . 1 1 26 26 ARG N N 15 0.76 0.08 . . . . . . . . . . 5548 3 21 . 1 1 28 28 ILE H H 1 . 1 1 28 28 ILE N N 15 0.8 0.08 . . . . . . . . . . 5548 3 22 . 1 1 29 29 ASN H H 1 . 1 1 29 29 ASN N N 15 0.89 0.09 . . . . . . . . . . 5548 3 23 . 1 1 30 30 MET H H 1 . 1 1 30 30 MET N N 15 0.82 0.08 . . . . . . . . . . 5548 3 24 . 1 1 31 31 LEU H H 1 . 1 1 31 31 LEU N N 15 0.79 0.08 . . . . . . . . . . 5548 3 25 . 1 1 32 32 THR H H 1 . 1 1 32 32 THR N N 15 0.68 0.07 . . . . . . . . . . 5548 3 26 . 1 1 33 33 ARG H H 1 . 1 1 33 33 ARG N N 15 0.54 0.07 . . . . . . . . . . 5548 3 27 . 1 1 35 35 ARG H H 1 . 1 1 35 35 ARG N N 15 -0.04 0.07 . . . . . . . . . . 5548 3 28 . 1 1 36 36 TYR H H 1 . 1 1 36 36 TYR N N 15 -0.59 0.1 . . . . . . . . . . 5548 3 stop_ save_