############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 18087 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 3 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_3 _Heteronucl_NOE_list.Spectrometer_frequency_1H 400 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1.0 _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 15 '2D 1H-15N heteronuclear NOE' . . . 18087 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 LEU N N 15 . 1 1 4 4 LEU H H 1 -0.655 0.039 . . . 4 L . . 4 L . 18087 1 2 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 -0.685 0.039 . . . 5 E . . 5 E . 18087 1 3 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 -0.848 0.064 . . . 6 T . . 6 T . 18087 1 4 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 -0.849 0.037 . . . 7 A . . 7 A . 18087 1 5 . 1 1 8 8 MET N N 15 . 1 1 8 8 MET H H 1 -0.755 0.037 . . . 8 M . . 8 M . 18087 1 6 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 -0.746 0.020 . . . 9 E . . 9 E . 18087 1 7 . 1 1 10 10 THR N N 15 . 1 1 10 10 THR H H 1 -0.761 0.034 . . . 10 T . . 10 T . 18087 1 8 . 1 1 11 11 LEU N N 15 . 1 1 11 11 LEU H H 1 -0.663 0.030 . . . 11 L . . 11 L . 18087 1 9 . 1 1 13 13 ASN N N 15 . 1 1 13 13 ASN H H 1 0.834 0.036 . . . 13 N . . 13 N . 18087 1 10 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.845 0.037 . . . 14 V . . 14 V . 18087 1 11 . 1 1 15 15 PHE N N 15 . 1 1 15 15 PHE H H 1 0.790 0.039 . . . 15 F . . 15 F . 18087 1 12 . 1 1 16 16 HIS N N 15 . 1 1 16 16 HIS H H 1 0.869 0.060 . . . 16 H . . 16 H . 18087 1 13 . 1 1 18 18 HIS N N 15 . 1 1 18 18 HIS H H 1 0.682 0.043 . . . 18 H . . 18 H . 18087 1 14 . 1 1 24 24 ASP N N 15 . 1 1 24 24 ASP H H 1 0.700 0.077 . . . 24 D . . 24 D . 18087 1 15 . 1 1 26 26 TYR N N 15 . 1 1 26 26 TYR H H 1 0.626 0.035 . . . 26 Y . . 26 Y . 18087 1 16 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.661 0.053 . . . 28 L . . 28 L . 18087 1 17 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.659 0.065 . . . 30 K . . 30 K . 18087 1 18 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.710 0.024 . . . 31 K . . 31 K . 18087 1 19 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 0.689 0.035 . . . 32 E . . 32 E . 18087 1 20 . 1 1 34 34 LYS N N 15 . 1 1 34 34 LYS H H 1 0.757 0.034 . . . 34 K . . 34 K . 18087 1 21 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.781 0.033 . . . 35 E . . 35 E . 18087 1 22 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.811 0.035 . . . 36 L . . 36 L . 18087 1 23 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.780 0.038 . . . 37 L . . 37 L . 18087 1 24 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.806 0.055 . . . 38 Q . . 38 Q . 18087 1 25 . 1 1 39 39 THR N N 15 . 1 1 39 39 THR H H 1 0.806 0.037 . . . 39 T . . 39 T . 18087 1 26 . 1 1 41 41 LEU N N 15 . 1 1 41 41 LEU H H 1 0.671 0.067 . . . 41 L . . 41 L . 18087 1 27 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.713 0.021 . . . 42 S . . 42 S . 18087 1 28 . 1 1 43 43 GLY N N 15 . 1 1 43 43 GLY H H 1 0.855 0.052 . . . 43 G . . 43 G . 18087 1 29 . 1 1 44 44 PHE N N 15 . 1 1 44 44 PHE H H 1 0.747 0.042 . . . 44 F . . 44 F . 18087 1 30 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.723 0.030 . . . 46 D . . 46 D . 18087 1 31 . 1 1 47 47 ALA N N 15 . 1 1 47 47 ALA H H 1 0.650 0.030 . . . 47 A . . 47 A . 18087 1 32 . 1 1 48 48 GLN N N 15 . 1 1 48 48 GLN H H 1 0.726 0.045 . . . 48 Q . . 48 Q . 18087 1 33 . 1 1 49 49 LYS N N 15 . 1 1 49 49 LYS H H 1 0.522 0.021 . . . 49 K . . 49 K . 18087 1 34 . 1 1 50 50 ASP N N 15 . 1 1 50 50 ASP H H 1 0.643 0.027 . . . 50 D . . 50 D . 18087 1 35 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.754 0.037 . . . 52 D . . 52 D . 18087 1 36 . 1 1 53 53 ALA N N 15 . 1 1 53 53 ALA H H 1 0.784 0.028 . . . 53 A . . 53 A . 18087 1 37 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.799 0.044 . . . 54 V . . 54 V . 18087 1 38 . 1 1 55 55 ASP N N 15 . 1 1 55 55 ASP H H 1 0.747 0.033 . . . 55 D . . 55 D . 18087 1 39 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 0.656 0.029 . . . 56 K . . 56 K . 18087 1 40 . 1 1 57 57 VAL N N 15 . 1 1 57 57 VAL H H 1 0.599 0.029 . . . 57 V . . 57 V . 18087 1 41 . 1 1 58 58 MET N N 15 . 1 1 58 58 MET H H 1 0.757 0.043 . . . 58 M . . 58 M . 18087 1 42 . 1 1 59 59 LYS N N 15 . 1 1 59 59 LYS H H 1 0.769 0.021 . . . 59 K . . 59 K . 18087 1 43 . 1 1 61 61 LEU N N 15 . 1 1 61 61 LEU H H 1 0.656 0.034 . . . 61 L . . 61 L . 18087 1 44 . 1 1 62 62 ASP N N 15 . 1 1 62 62 ASP H H 1 0.715 0.037 . . . 62 D . . 62 D . 18087 1 45 . 1 1 63 63 GLU N N 15 . 1 1 63 63 GLU H H 1 0.676 0.027 . . . 63 E . . 63 E . 18087 1 46 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.590 0.030 . . . 65 G . . 65 G . 18087 1 47 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.688 0.040 . . . 66 D . . 66 D . 18087 1 48 . 1 1 67 67 GLY N N 15 . 1 1 67 67 GLY H H 1 0.650 0.034 . . . 67 G . . 67 G . 18087 1 49 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.621 0.029 . . . 68 E . . 68 E . 18087 1 50 . 1 1 69 69 VAL N N 15 . 1 1 69 69 VAL H H 1 0.589 0.057 . . . 69 V . . 69 V . 18087 1 51 . 1 1 70 70 ASP N N 15 . 1 1 70 70 ASP H H 1 0.746 0.024 . . . 70 D . . 70 D . 18087 1 52 . 1 1 71 71 PHE N N 15 . 1 1 71 71 PHE H H 1 0.698 0.044 . . . 71 F . . 71 F . 18087 1 53 . 1 1 72 72 GLN N N 15 . 1 1 72 72 GLN H H 1 0.768 0.034 . . . 72 Q . . 72 Q . 18087 1 54 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.789 0.034 . . . 73 E . . 73 E . 18087 1 55 . 1 1 75 75 VAL N N 15 . 1 1 75 75 VAL H H 1 0.733 0.031 . . . 75 V . . 75 V . 18087 1 56 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 0.764 0.044 . . . 77 L . . 77 L . 18087 1 57 . 1 1 78 78 VAL N N 15 . 1 1 78 78 VAL H H 1 0.646 0.027 . . . 78 V . . 78 V . 18087 1 58 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.732 0.034 . . . 79 A . . 79 A . 18087 1 59 . 1 1 82 82 THR N N 15 . 1 1 82 82 THR H H 1 0.782 0.034 . . . 82 T . . 82 T . 18087 1 60 . 1 1 83 83 VAL N N 15 . 1 1 83 83 VAL H H 1 0.736 0.044 . . . 83 V . . 83 V . 18087 1 61 . 1 1 84 84 ALA N N 15 . 1 1 84 84 ALA H H 1 0.833 0.042 . . . 84 A . . 84 A . 18087 1 62 . 1 1 87 87 ASN N N 15 . 1 1 87 87 ASN H H 1 0.777 0.028 . . . 87 N . . 87 N . 18087 1 63 . 1 1 88 88 PHE N N 15 . 1 1 88 88 PHE H H 1 0.744 0.027 . . . 88 F . . 88 F . 18087 1 64 . 1 1 89 89 PHE N N 15 . 1 1 89 89 PHE H H 1 0.745 0.044 . . . 89 F . . 89 F . 18087 1 65 . 1 1 90 90 TRP N N 15 . 1 1 90 90 TRP H H 1 0.741 0.034 . . . 90 W . . 90 W . 18087 1 66 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.536 0.013 . . . 91 E . . 91 E . 18087 1 67 . 1 1 92 92 ASN N N 15 . 1 1 92 92 ASN H H 1 0.062 0.021 . . . 92 N . . 92 N . 18087 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2 _Heteronucl_NOE_list.Entry_ID 18087 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 3 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_3 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1.0 _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 15 '2D 1H-15N heteronuclear NOE' . . . 18087 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 GLU N N 15 . 1 1 3 3 GLU H H 1 0.619 0.066 . . . 3 E . . 3 E . 18087 2 2 . 1 1 4 4 LEU N N 15 . 1 1 4 4 LEU H H 1 0.761 0.032 . . . 4 L . . 4 L . 18087 2 3 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 0.679 0.029 . . . 5 E . . 5 E . 18087 2 4 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 0.872 0.038 . . . 6 T . . 6 T . 18087 2 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.887 0.025 . . . 7 A . . 7 A . 18087 2 6 . 1 1 8 8 MET N N 15 . 1 1 8 8 MET H H 1 0.809 0.025 . . . 8 M . . 8 M . 18087 2 7 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.770 0.015 . . . 9 E . . 9 E . 18087 2 8 . 1 1 10 10 THR N N 15 . 1 1 10 10 THR H H 1 0.829 0.022 . . . 10 T . . 10 T . 18087 2 9 . 1 1 11 11 LEU N N 15 . 1 1 11 11 LEU H H 1 0.788 0.026 . . . 11 L . . 11 L . 18087 2 10 . 1 1 13 13 ASN N N 15 . 1 1 13 13 ASN H H 1 0.813 0.025 . . . 13 N . . 13 N . 18087 2 11 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.826 0.023 . . . 14 V . . 14 V . 18087 2 12 . 1 1 15 15 PHE N N 15 . 1 1 15 15 PHE H H 1 0.827 0.027 . . . 15 F . . 15 F . 18087 2 13 . 1 1 16 16 HIS N N 15 . 1 1 16 16 HIS H H 1 0.789 0.032 . . . 16 H . . 16 H . 18087 2 14 . 1 1 18 18 HIS N N 15 . 1 1 18 18 HIS H H 1 0.753 0.031 . . . 18 H . . 18 H . 18087 2 15 . 1 1 24 24 ASP N N 15 . 1 1 24 24 ASP H H 1 0.671 0.045 . . . 24 D . . 24 D . 18087 2 16 . 1 1 26 26 TYR N N 15 . 1 1 26 26 TYR H H 1 0.688 0.036 . . . 26 Y . . 26 Y . 18087 2 17 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.651 0.049 . . . 28 L . . 28 L . 18087 2 18 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.744 0.041 . . . 29 K . . 29 K . 18087 2 19 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.799 0.049 . . . 30 K . . 30 K . 18087 2 20 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 0.731 0.021 . . . 31 E . . 31 E . 18087 2 21 . 1 1 34 34 LYS N N 15 . 1 1 34 34 LYS H H 1 0.726 0.021 . . . 32 K . . 32 K . 18087 2 22 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.753 0.029 . . . 34 E . . 34 E . 18087 2 23 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.750 0.021 . . . 35 L . . 35 L . 18087 2 24 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.761 0.023 . . . 36 L . . 36 L . 18087 2 25 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.800 0.032 . . . 37 Q . . 37 Q . 18087 2 26 . 1 1 39 39 THR N N 15 . 1 1 39 39 THR H H 1 0.856 0.031 . . . 38 T . . 38 T . 18087 2 27 . 1 1 41 41 LEU N N 15 . 1 1 41 41 LEU H H 1 0.822 0.026 . . . 39 L . . 39 L . 18087 2 28 . 1 1 43 43 GLY N N 15 . 1 1 43 43 GLY H H 1 0.866 0.057 . . . 41 G . . 41 G . 18087 2 29 . 1 1 44 44 PHE N N 15 . 1 1 44 44 PHE H H 1 0.757 0.015 . . . 42 F . . 42 F . 18087 2 30 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.789 0.029 . . . 43 D . . 43 D . 18087 2 31 . 1 1 47 47 ALA N N 15 . 1 1 47 47 ALA H H 1 0.758 0.025 . . . 44 A . . 44 A . 18087 2 32 . 1 1 48 48 GLN N N 15 . 1 1 48 48 GLN H H 1 0.732 0.021 . . . 46 Q . . 46 Q . 18087 2 33 . 1 1 50 50 ASP N N 15 . 1 1 50 50 ASP H H 1 0.634 0.019 . . . 47 D . . 47 D . 18087 2 34 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.659 0.021 . . . 48 D . . 48 D . 18087 2 35 . 1 1 53 53 ALA N N 15 . 1 1 53 53 ALA H H 1 0.506 0.015 . . . 49 A . . 49 A . 18087 2 36 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.640 0.018 . . . 50 V . . 50 V . 18087 2 37 . 1 1 55 55 ASP N N 15 . 1 1 55 55 ASP H H 1 0.735 0.030 . . . 52 D . . 52 D . 18087 2 38 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 0.715 0.020 . . . 53 K . . 53 K . 18087 2 39 . 1 1 57 57 VAL N N 15 . 1 1 57 57 VAL H H 1 0.815 0.030 . . . 54 V . . 54 V . 18087 2 40 . 1 1 58 58 MET N N 15 . 1 1 58 58 MET H H 1 0.740 0.024 . . . 55 M . . 55 M . 18087 2 41 . 1 1 59 59 LYS N N 15 . 1 1 59 59 LYS H H 1 0.694 0.019 . . . 56 K . . 56 K . 18087 2 42 . 1 1 61 61 LEU N N 15 . 1 1 61 61 LEU H H 1 0.736 0.025 . . . 57 L . . 57 L . 18087 2 43 . 1 1 62 62 ASP N N 15 . 1 1 62 62 ASP H H 1 0.671 0.026 . . . 58 D . . 58 D . 18087 2 44 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.698 0.025 . . . 61 G . . 61 G . 18087 2 45 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.787 0.025 . . . 62 D . . 62 D . 18087 2 46 . 1 1 67 67 GLY N N 15 . 1 1 67 67 GLY H H 1 0.652 0.019 . . . 63 G . . 63 G . 18087 2 47 . 1 1 69 69 VAL N N 15 . 1 1 69 69 VAL H H 1 0.647 0.024 . . . 65 V . . 65 V . 18087 2 48 . 1 1 70 70 ASP N N 15 . 1 1 70 70 ASP H H 1 0.694 0.024 . . . 66 D . . 66 D . 18087 2 49 . 1 1 71 71 PHE N N 15 . 1 1 71 71 PHE H H 1 0.663 0.021 . . . 67 F . . 67 F . 18087 2 50 . 1 1 72 72 GLN N N 15 . 1 1 72 72 GLN H H 1 0.704 0.025 . . . 68 Q . . 68 Q . 18087 2 51 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.710 0.054 . . . 69 E . . 69 E . 18087 2 52 . 1 1 75 75 VAL N N 15 . 1 1 75 75 VAL H H 1 0.805 0.016 . . . 70 V . . 70 V . 18087 2 53 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 0.843 0.037 . . . 71 L . . 71 L . 18087 2 54 . 1 1 78 78 VAL N N 15 . 1 1 78 78 VAL H H 1 0.700 0.020 . . . 72 V . . 72 V . 18087 2 55 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.712 0.028 . . . 73 A . . 73 A . 18087 2 56 . 1 1 83 83 VAL N N 15 . 1 1 83 83 VAL H H 1 0.690 0.028 . . . 77 V . . 77 V . 18087 2 57 . 1 1 84 84 ALA N N 15 . 1 1 84 84 ALA H H 1 0.786 0.026 . . . 78 A . . 78 A . 18087 2 58 . 1 1 86 86 ASN N N 15 . 1 1 86 86 ASN H H 1 0.780 0.024 . . . 84 N . . 84 N . 18087 2 59 . 1 1 87 87 ASN N N 15 . 1 1 87 87 ASN H H 1 0.786 0.020 . . . 87 N . . 87 N . 18087 2 60 . 1 1 88 88 PHE N N 15 . 1 1 88 88 PHE H H 1 0.767 0.019 . . . 88 F . . 88 F . 18087 2 61 . 1 1 89 89 PHE N N 15 . 1 1 89 89 PHE H H 1 0.698 0.024 . . . 89 F . . 89 F . 18087 2 62 . 1 1 90 90 TRP N N 15 . 1 1 90 90 TRP H H 1 0.748 0.025 . . . 90 W . . 90 W . 18087 2 63 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.608 0.010 . . . 91 E . . 91 E . 18087 2 64 . 1 1 92 92 ASN N N 12 . 1 1 92 92 ASN H H 1 0.114 0.014 . . . 92 N . . 92 N . 18087 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_3 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_3 _Heteronucl_NOE_list.Entry_ID 18087 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Sample_condition_list_ID 3 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_3 _Heteronucl_NOE_list.Spectrometer_frequency_1H 700 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1.0 _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 15 '2D 1H-15N heteronuclear NOE' . . . 18087 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 GLU N N 15 . 1 1 3 3 GLU H H 1 0.742 0.022 . . . 3 E . . 3 E . 18087 3 2 . 1 1 4 4 LEU N N 15 . 1 1 4 4 LEU H H 1 0.786 0.013 . . . 4 L . . 4 L . 18087 3 3 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 0.865 0.014 . . . 5 E . . 5 E . 18087 3 4 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 0.887 0.013 . . . 6 T . . 6 T . 18087 3 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.927 0.009 . . . 7 A . . 7 A . 18087 3 6 . 1 1 8 8 MET N N 15 . 1 1 8 8 MET H H 1 0.899 0.011 . . . 8 M . . 8 M . 18087 3 7 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.812 0.006 . . . 9 E . . 9 E . 18087 3 8 . 1 1 10 10 THR N N 15 . 1 1 10 10 THR H H 1 0.873 0.009 . . . 10 T . . 10 T . 18087 3 9 . 1 1 11 11 LEU N N 15 . 1 1 11 11 LEU H H 1 0.814 0.010 . . . 11 L . . 11 L . 18087 3 10 . 1 1 13 13 ASN N N 15 . 1 1 13 13 ASN H H 1 0.813 0.009 . . . 13 N . . 13 N . 18087 3 11 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.880 0.008 . . . 14 V . . 14 V . 18087 3 12 . 1 1 15 15 PHE N N 15 . 1 1 15 15 PHE H H 1 0.911 0.013 . . . 15 F . . 15 F . 18087 3 13 . 1 1 16 16 HIS N N 15 . 1 1 16 16 HIS H H 1 0.882 0.013 . . . 16 H . . 16 H . 18087 3 14 . 1 1 18 18 HIS N N 15 . 1 1 18 18 HIS H H 1 0.867 0.012 . . . 18 H . . 18 H . 18087 3 15 . 1 1 24 24 ASP N N 15 . 1 1 24 24 ASP H H 1 0.648 0.013 . . . 24 D . . 24 D . 18087 3 16 . 1 1 26 26 TYR N N 15 . 1 1 26 26 TYR H H 1 0.734 0.015 . . . 26 Y . . 26 Y . 18087 3 17 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.873 0.019 . . . 28 L . . 28 L . 18087 3 18 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.769 0.017 . . . 29 K . . 29 K . 18087 3 19 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.877 0.016 . . . 30 K . . 30 K . 18087 3 20 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 0.824 0.009 . . . 31 E . . 31 E . 18087 3 21 . 1 1 34 34 LYS N N 15 . 1 1 34 34 LYS H H 1 0.760 0.009 . . . 32 K . . 32 K . 18087 3 22 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.859 0.012 . . . 34 E . . 34 E . 18087 3 23 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.859 0.011 . . . 35 L . . 35 L . 18087 3 24 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.920 0.011 . . . 36 L . . 36 L . 18087 3 25 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.846 0.011 . . . 37 Q . . 37 Q . 18087 3 26 . 1 1 39 39 THR N N 15 . 1 1 39 39 THR H H 1 0.836 0.011 . . . 38 T . . 38 T . 18087 3 27 . 1 1 41 41 LEU N N 15 . 1 1 41 41 LEU H H 1 0.894 0.010 . . . 39 L . . 39 L . 18087 3 28 . 1 1 43 43 GLY N N 15 . 1 1 43 43 GLY H H 1 0.862 0.023 . . . 41 G . . 41 G . 18087 3 29 . 1 1 44 44 PHE N N 15 . 1 1 44 44 PHE H H 1 0.906 0.008 . . . 42 F . . 42 F . 18087 3 30 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.772 0.009 . . . 43 D . . 43 D . 18087 3 31 . 1 1 47 47 ALA N N 15 . 1 1 47 47 ALA H H 1 0.771 0.009 . . . 44 A . . 44 A . 18087 3 32 . 1 1 48 48 GLN N N 15 . 1 1 48 48 GLN H H 1 0.808 0.010 . . . 46 Q . . 46 Q . 18087 3 33 . 1 1 50 50 ASP N N 15 . 1 1 50 50 ASP H H 1 0.748 0.009 . . . 47 D . . 47 D . 18087 3 34 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.739 0.008 . . . 48 D . . 48 D . 18087 3 35 . 1 1 53 53 ALA N N 15 . 1 1 53 53 ALA H H 1 0.493 0.007 . . . 49 A . . 49 A . 18087 3 36 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.619 0.007 . . . 50 V . . 50 V . 18087 3 37 . 1 1 55 55 ASP N N 15 . 1 1 55 55 ASP H H 1 0.863 0.011 . . . 52 D . . 52 D . 18087 3 38 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 0.809 0.007 . . . 53 K . . 53 K . 18087 3 39 . 1 1 57 57 VAL N N 15 . 1 1 57 57 VAL H H 1 0.824 0.011 . . . 54 V . . 54 V . 18087 3 40 . 1 1 58 58 MET N N 15 . 1 1 58 58 MET H H 1 0.866 0.011 . . . 55 M . . 55 M . 18087 3 41 . 1 1 59 59 LYS N N 15 . 1 1 59 59 LYS H H 1 0.807 0.009 . . . 56 K . . 56 K . 18087 3 42 . 1 1 61 61 LEU N N 15 . 1 1 61 61 LEU H H 1 0.881 0.011 . . . 57 L . . 57 L . 18087 3 43 . 1 1 62 62 ASP N N 15 . 1 1 62 62 ASP H H 1 0.863 0.013 . . . 58 D . . 58 D . 18087 3 44 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.864 0.012 . . . 61 G . . 61 G . 18087 3 45 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.713 0.009 . . . 62 D . . 62 D . 18087 3 46 . 1 1 67 67 GLY N N 15 . 1 1 67 67 GLY H H 1 0.774 0.009 . . . 63 G . . 63 G . 18087 3 47 . 1 1 69 69 VAL N N 15 . 1 1 69 69 VAL H H 1 0.691 0.009 . . . 65 V . . 65 V . 18087 3 48 . 1 1 70 70 ASP N N 15 . 1 1 70 70 ASP H H 1 0.736 0.010 . . . 66 D . . 66 D . 18087 3 49 . 1 1 71 71 PHE N N 15 . 1 1 71 71 PHE H H 1 0.660 0.008 . . . 67 F . . 67 F . 18087 3 50 . 1 1 72 72 GLN N N 15 . 1 1 72 72 GLN H H 1 0.769 0.009 . . . 68 Q . . 68 Q . 18087 3 51 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.725 0.018 . . . 69 E . . 69 E . 18087 3 52 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 0.837 0.014 . . . 71 L . . 71 L . 18087 3 53 . 1 1 78 78 VAL N N 15 . 1 1 78 78 VAL H H 1 0.780 0.009 . . . 72 V . . 72 V . 18087 3 54 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.815 0.011 . . . 73 A . . 73 A . 18087 3 55 . 1 1 83 83 VAL N N 15 . 1 1 83 83 VAL H H 1 0.998 0.014 . . . 77 V . . 77 V . 18087 3 56 . 1 1 84 84 ALA N N 15 . 1 1 84 84 ALA H H 1 0.828 0.021 . . . 78 A . . 78 A . 18087 3 57 . 1 1 86 86 ASN N N 15 . 1 1 86 86 ASN H H 1 0.820 0.010 . . . 84 N . . 84 N . 18087 3 58 . 1 1 87 87 ASN N N 15 . 1 1 87 87 ASN H H 1 0.838 0.009 . . . 87 N . . 87 N . 18087 3 59 . 1 1 88 88 PHE N N 15 . 1 1 88 88 PHE H H 1 0.894 0.008 . . . 88 F . . 88 F . 18087 3 60 . 1 1 89 89 PHE N N 15 . 1 1 89 89 PHE H H 1 0.813 0.012 . . . 89 F . . 89 F . 18087 3 61 . 1 1 90 90 TRP N N 15 . 1 1 90 90 TRP H H 1 0.810 0.027 . . . 90 W . . 90 W . 18087 3 62 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.616 0.004 . . . 91 E . . 91 E . 18087 3 63 . 1 1 92 92 ASN N N 15 . 1 1 92 92 ASN H H 1 0.902 0.012 . . . 92 N . . 92 N . 18087 3 stop_ save_