############################## # 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 18864 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 400 _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 1 '2D 1H-15N HSQC (NOE)' . . . 18864 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 8 8 ASP N N 15 . 1 1 8 8 ASP H H 1 0.304 0.082 . . . 8 D . . 8 D . 18864 1 2 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.403 0.044 . . . 9 K . . 9 K . 18864 1 3 . 1 1 10 10 ILE N N 15 . 1 1 10 10 ILE H H 1 0.718 0.095 . . . 10 I . . 10 I . 18864 1 4 . 1 1 11 11 LYS N N 15 . 1 1 11 11 LYS H H 1 0.698 0.076 . . . 11 K . . 11 K . 18864 1 5 . 1 1 12 12 CYS N N 15 . 1 1 12 12 CYS H H 1 0.702 0.097 . . . 12 C . . 12 C . 18864 1 6 . 1 1 13 13 SER N N 15 . 1 1 13 13 SER H H 1 0.755 0.093 . . . 13 S . . 13 S . 18864 1 7 . 1 1 14 14 HIS N N 15 . 1 1 14 14 HIS H H 1 0.802 0.097 . . . 14 H . . 14 H . 18864 1 8 . 1 1 15 15 ILE N N 15 . 1 1 15 15 ILE H H 1 0.780 0.044 . . . 15 I . . 15 I . 18864 1 9 . 1 1 16 16 LEU N N 15 . 1 1 16 16 LEU H H 1 0.829 0.147 . . . 16 L . . 16 L . 18864 1 10 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.801 0.073 . . . 17 V . . 17 V . 18864 1 11 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.722 0.076 . . . 18 K . . 18 K . 18864 1 12 . 1 1 19 19 LYS N N 15 . 1 1 19 19 LYS H H 1 0.722 0.049 . . . 19 K . . 19 K . 18864 1 13 . 1 1 20 20 GLN N N 15 . 1 1 20 20 GLN H H 1 0.762 0.072 . . . 20 Q . . 20 Q . 18864 1 14 . 1 1 22 22 GLU N N 15 . 1 1 22 22 GLU H H 1 0.731 0.088 . . . 22 E . . 22 E . 18864 1 15 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.792 0.069 . . . 23 A . . 23 A . 18864 1 16 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.757 0.062 . . . 24 L . . 24 L . 18864 1 17 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 0.746 0.05 . . . 25 A . . 25 A . 18864 1 18 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.766 0.077 . . . 26 V . . 26 V . 18864 1 19 . 1 1 27 27 GLN N N 15 . 1 1 27 27 GLN H H 1 0.711 0.051 . . . 27 Q . . 27 Q . 18864 1 20 . 1 1 28 28 GLU N N 15 . 1 1 28 28 GLU H H 1 0.759 0.054 . . . 28 E . . 28 E . 18864 1 21 . 1 1 29 29 ARG N N 15 . 1 1 29 29 ARG H H 1 0.691 0.061 . . . 29 R . . 29 R . 18864 1 22 . 1 1 30 30 LEU N N 15 . 1 1 30 30 LEU H H 1 0.709 0.077 . . . 30 L . . 30 L . 18864 1 23 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.533 0.037 . . . 31 K . . 31 K . 18864 1 24 . 1 1 32 32 ALA N N 15 . 1 1 32 32 ALA H H 1 0.754 0.061 . . . 32 A . . 32 A . 18864 1 25 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.758 0.069 . . . 33 G . . 33 G . 18864 1 26 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.753 0.06 . . . 34 E . . 34 E . 18864 1 27 . 1 1 35 35 LYS N N 15 . 1 1 35 35 LYS H H 1 0.644 0.057 . . . 35 K . . 35 K . 18864 1 28 . 1 1 36 36 PHE N N 15 . 1 1 36 36 PHE H H 1 0.804 0.104 . . . 36 F . . 36 F . 18864 1 29 . 1 1 37 37 GLY N N 15 . 1 1 37 37 GLY H H 1 0.786 0.073 . . . 37 G . . 37 G . 18864 1 30 . 1 1 38 38 LYS N N 15 . 1 1 38 38 LYS H H 1 0.747 0.074 . . . 38 K . . 38 K . 18864 1 31 . 1 1 39 39 LEU N N 15 . 1 1 39 39 LEU H H 1 0.731 0.078 . . . 39 L . . 39 L . 18864 1 32 . 1 1 40 40 ALA N N 15 . 1 1 40 40 ALA H H 1 0.622 0.05 . . . 40 A . . 40 A . 18864 1 33 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.711 0.069 . . . 41 K . . 41 K . 18864 1 34 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.713 0.063 . . . 42 E . . 42 E . 18864 1 35 . 1 1 43 43 LEU N N 15 . 1 1 43 43 LEU H H 1 0.714 0.092 . . . 43 L . . 43 L . 18864 1 36 . 1 1 44 44 SER N N 15 . 1 1 44 44 SER H H 1 0.729 0.039 . . . 44 S . . 44 S . 18864 1 37 . 1 1 45 45 ILE N N 15 . 1 1 45 45 ILE H H 1 0.820 0.123 . . . 45 I . . 45 I . 18864 1 38 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.738 0.084 . . . 46 D . . 46 D . 18864 1 39 . 1 1 48 48 GLY N N 15 . 1 1 48 48 GLY H H 1 0.554 0.092 . . . 48 G . . 48 G . 18864 1 40 . 1 1 49 49 SER N N 15 . 1 1 49 49 SER H H 1 0.557 0.114 . . . 49 S . . 49 S . 18864 1 41 . 1 1 50 50 ALA N N 15 . 1 1 50 50 ALA H H 1 0.780 0.083 . . . 50 A . . 50 A . 18864 1 42 . 1 1 51 51 LYS N N 15 . 1 1 51 51 LYS H H 1 0.687 0.078 . . . 51 K . . 51 K . 18864 1 43 . 1 1 52 52 ARG N N 15 . 1 1 52 52 ARG H H 1 0.757 0.102 . . . 52 R . . 52 R . 18864 1 44 . 1 1 53 53 ASP N N 15 . 1 1 53 53 ASP H H 1 0.601 0.077 . . . 53 D . . 53 D . 18864 1 45 . 1 1 54 54 GLY N N 15 . 1 1 54 54 GLY H H 1 0.612 0.074 . . . 54 G . . 54 G . 18864 1 46 . 1 1 55 55 SER N N 15 . 1 1 55 55 SER H H 1 0.779 0.073 . . . 55 S . . 55 S . 18864 1 47 . 1 1 56 56 LEU N N 15 . 1 1 56 56 LEU H H 1 0.836 0.125 . . . 56 L . . 56 L . 18864 1 48 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.740 0.076 . . . 57 G . . 57 G . 18864 1 49 . 1 1 58 58 TYR N N 15 . 1 1 58 58 TYR H H 1 0.657 0.072 . . . 58 Y . . 58 Y . 18864 1 50 . 1 1 59 59 PHE N N 15 . 1 1 59 59 PHE H H 1 0.770 0.068 . . . 59 F . . 59 F . 18864 1 51 . 1 1 60 60 GLY N N 15 . 1 1 60 60 GLY H H 1 0.755 0.093 . . . 60 G . . 60 G . 18864 1 52 . 1 1 61 61 ARG N N 15 . 1 1 61 61 ARG H H 1 0.703 0.053 . . . 61 R . . 61 R . 18864 1 53 . 1 1 62 62 GLY N N 15 . 1 1 62 62 GLY H H 1 0.684 0.108 . . . 62 G . . 62 G . 18864 1 54 . 1 1 63 63 LYS N N 15 . 1 1 63 63 LYS H H 1 0.696 0.086 . . . 63 K . . 63 K . 18864 1 55 . 1 1 64 64 MET N N 15 . 1 1 64 64 MET H H 1 0.753 0.051 . . . 64 M . . 64 M . 18864 1 56 . 1 1 65 65 VAL N N 15 . 1 1 65 65 VAL H H 1 0.759 0.063 . . . 65 V . . 65 V . 18864 1 57 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.861 0.092 . . . 66 K . . 66 K . 18864 1 58 . 1 1 68 68 PHE N N 15 . 1 1 68 68 PHE H H 1 0.690 0.084 . . . 68 F . . 68 F . 18864 1 59 . 1 1 69 69 GLU N N 15 . 1 1 69 69 GLU H H 1 0.742 0.089 . . . 69 E . . 69 E . 18864 1 60 . 1 1 70 70 ASP N N 15 . 1 1 70 70 ASP H H 1 0.754 0.048 . . . 70 D . . 70 D . 18864 1 61 . 1 1 71 71 ALA N N 15 . 1 1 71 71 ALA H H 1 0.705 0.062 . . . 71 A . . 71 A . 18864 1 62 . 1 1 72 72 ALA N N 15 . 1 1 72 72 ALA H H 1 0.716 0.052 . . . 72 A . . 72 A . 18864 1 63 . 1 1 73 73 PHE N N 15 . 1 1 73 73 PHE H H 1 0.729 0.039 . . . 73 F . . 73 F . 18864 1 64 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.776 0.084 . . . 74 R . . 74 R . 18864 1 65 . 1 1 75 75 LEU N N 15 . 1 1 75 75 LEU H H 1 0.775 0.084 . . . 75 L . . 75 L . 18864 1 66 . 1 1 76 76 GLN N N 15 . 1 1 76 76 GLN H H 1 0.817 0.089 . . . 76 Q . . 76 Q . 18864 1 67 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.780 0.044 . . . 77 V . . 77 V . 18864 1 68 . 1 1 78 78 GLY N N 15 . 1 1 78 78 GLY H H 1 0.753 0.051 . . . 78 G . . 78 G . 18864 1 69 . 1 1 79 79 GLU N N 15 . 1 1 79 79 GLU H H 1 0.683 0.051 . . . 79 E . . 79 E . 18864 1 70 . 1 1 80 80 VAL N N 15 . 1 1 80 80 VAL H H 1 0.555 0.053 . . . 80 V . . 80 V . 18864 1 71 . 1 1 81 81 SER N N 15 . 1 1 81 81 SER H H 1 0.817 0.091 . . . 81 S . . 81 S . 18864 1 72 . 1 1 82 82 GLU N N 15 . 1 1 82 82 GLU H H 1 0.767 0.076 . . . 82 E . . 82 E . 18864 1 73 . 1 1 84 84 VAL N N 15 . 1 1 84 84 VAL H H 1 0.719 0.097 . . . 84 V . . 84 V . 18864 1 74 . 1 1 85 85 LYS N N 15 . 1 1 85 85 LYS H H 1 0.721 0.062 . . . 85 K . . 85 K . 18864 1 75 . 1 1 86 86 SER N N 15 . 1 1 86 86 SER H H 1 0.797 0.105 . . . 86 S . . 86 S . 18864 1 76 . 1 1 87 87 GLU N N 15 . 1 1 87 87 GLU H H 1 0.847 0.142 . . . 87 E . . 87 E . 18864 1 77 . 1 1 88 88 PHE N N 15 . 1 1 88 88 PHE H H 1 0.756 0.082 . . . 88 F . . 88 F . 18864 1 78 . 1 1 89 89 GLY N N 15 . 1 1 89 89 GLY H H 1 0.793 0.064 . . . 89 G . . 89 G . 18864 1 79 . 1 1 90 90 TYR N N 15 . 1 1 90 90 TYR H H 1 0.760 0.081 . . . 90 Y . . 90 Y . 18864 1 80 . 1 1 91 91 HIS N N 15 . 1 1 91 91 HIS H H 1 0.740 0.12 . . . 91 H . . 91 H . 18864 1 81 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.757 0.082 . . . 92 V . . 92 V . 18864 1 82 . 1 1 93 93 ILE N N 15 . 1 1 93 93 ILE H H 1 0.779 0.126 . . . 93 I . . 93 I . 18864 1 83 . 1 1 94 94 LYS N N 15 . 1 1 94 94 LYS H H 1 0.777 0.077 . . . 94 K . . 94 K . 18864 1 84 . 1 1 95 95 ARG N N 15 . 1 1 95 95 ARG H H 1 0.737 0.095 . . . 95 R . . 95 R . 18864 1 85 . 1 1 96 96 LEU N N 15 . 1 1 96 96 LEU H H 1 0.794 0.136 . . . 96 L . . 96 L . 18864 1 86 . 1 1 97 97 GLY N N 15 . 1 1 97 97 GLY H H 1 0.685 0.071 . . . 97 G . . 97 G . 18864 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 18864 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _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 1 '2D 1H-15N HSQC (NOE)' . . . 18864 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 8 8 ASP N N 15 . 1 1 8 8 ASP H H 1 0.376 0.067 . . . 8 D . . 8 D . 18864 2 2 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.520 0.029 . . . 9 K . . 9 K . 18864 2 3 . 1 1 10 10 ILE N N 15 . 1 1 10 10 ILE H H 1 0.767 0.074 . . . 10 I . . 10 I . 18864 2 4 . 1 1 11 11 LYS N N 15 . 1 1 11 11 LYS H H 1 0.801 0.057 . . . 11 K . . 11 K . 18864 2 5 . 1 1 12 12 CYS N N 15 . 1 1 12 12 CYS H H 1 0.705 0.050 . . . 12 C . . 12 C . 18864 2 6 . 1 1 13 13 SER N N 15 . 1 1 13 13 SER H H 1 0.793 0.067 . . . 13 S . . 13 S . 18864 2 7 . 1 1 14 14 HIS N N 15 . 1 1 14 14 HIS H H 1 0.686 0.056 . . . 14 H . . 14 H . 18864 2 8 . 1 1 15 15 ILE N N 15 . 1 1 15 15 ILE H H 1 0.778 0.038 . . . 15 I . . 15 I . 18864 2 9 . 1 1 16 16 LEU N N 15 . 1 1 16 16 LEU H H 1 0.822 0.084 . . . 16 L . . 16 L . 18864 2 10 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.869 0.077 . . . 17 V . . 17 V . 18864 2 11 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.754 0.058 . . . 18 K . . 18 K . 18864 2 12 . 1 1 19 19 LYS N N 15 . 1 1 19 19 LYS H H 1 0.857 0.054 . . . 19 K . . 19 K . 18864 2 13 . 1 1 20 20 GLN N N 15 . 1 1 20 20 GLN H H 1 0.724 0.050 . . . 20 Q . . 20 Q . 18864 2 14 . 1 1 22 22 GLU N N 15 . 1 1 22 22 GLU H H 1 0.688 0.052 . . . 22 E . . 22 E . 18864 2 15 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.786 0.050 . . . 23 A . . 23 A . 18864 2 16 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.748 0.041 . . . 24 L . . 24 L . 18864 2 17 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 0.842 0.042 . . . 25 A . . 25 A . 18864 2 18 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.718 0.040 . . . 26 V . . 26 V . 18864 2 19 . 1 1 27 27 GLN N N 15 . 1 1 27 27 GLN H H 1 0.774 0.042 . . . 27 Q . . 27 Q . 18864 2 20 . 1 1 28 28 GLU N N 15 . 1 1 28 28 GLU H H 1 0.775 0.042 . . . 28 E . . 28 E . 18864 2 21 . 1 1 29 29 ARG N N 15 . 1 1 29 29 ARG H H 1 0.709 0.046 . . . 29 R . . 29 R . 18864 2 22 . 1 1 30 30 LEU N N 15 . 1 1 30 30 LEU H H 1 0.722 0.049 . . . 30 L . . 30 L . 18864 2 23 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.645 0.033 . . . 31 K . . 31 K . 18864 2 24 . 1 1 32 32 ALA N N 15 . 1 1 32 32 ALA H H 1 0.779 0.039 . . . 32 A . . 32 A . 18864 2 25 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.766 0.039 . . . 33 G . . 33 G . 18864 2 26 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.696 0.034 . . . 34 E . . 34 E . 18864 2 27 . 1 1 35 35 LYS N N 15 . 1 1 35 35 LYS H H 1 0.758 0.048 . . . 35 K . . 35 K . 18864 2 28 . 1 1 36 36 PHE N N 15 . 1 1 36 36 PHE H H 1 0.800 0.085 . . . 36 F . . 36 F . 18864 2 29 . 1 1 37 37 GLY N N 15 . 1 1 37 37 GLY H H 1 0.743 0.058 . . . 37 G . . 37 G . 18864 2 30 . 1 1 38 38 LYS N N 15 . 1 1 38 38 LYS H H 1 0.704 0.043 . . . 38 K . . 38 K . 18864 2 31 . 1 1 39 39 LEU N N 15 . 1 1 39 39 LEU H H 1 0.785 0.050 . . . 39 L . . 39 L . 18864 2 32 . 1 1 40 40 ALA N N 15 . 1 1 40 40 ALA H H 1 0.721 0.037 . . . 40 A . . 40 A . 18864 2 33 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.764 0.040 . . . 41 K . . 41 K . 18864 2 34 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.959 0.051 . . . 42 E . . 42 E . 18864 2 35 . 1 1 43 43 LEU N N 15 . 1 1 43 43 LEU H H 1 0.753 0.059 . . . 43 L . . 43 L . 18864 2 36 . 1 1 44 44 SER N N 15 . 1 1 44 44 SER H H 1 0.811 0.036 . . . 44 S . . 44 S . 18864 2 37 . 1 1 45 45 ILE N N 15 . 1 1 45 45 ILE H H 1 0.746 0.078 . . . 45 I . . 45 I . 18864 2 38 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.842 0.065 . . . 46 D . . 46 D . 18864 2 39 . 1 1 47 47 GLY N N 15 . 1 1 47 47 GLY H H 1 0.746 0.130 . . . 47 G . . 47 G . 18864 2 40 . 1 1 48 48 GLY N N 15 . 1 1 48 48 GLY H H 1 0.681 0.082 . . . 48 G . . 48 G . 18864 2 41 . 1 1 49 49 SER N N 15 . 1 1 49 49 SER H H 1 0.606 0.078 . . . 49 S . . 49 S . 18864 2 42 . 1 1 50 50 ALA N N 15 . 1 1 50 50 ALA H H 1 0.772 0.057 . . . 50 A . . 50 A . 18864 2 43 . 1 1 51 51 LYS N N 15 . 1 1 51 51 LYS H H 1 0.590 0.046 . . . 51 K . . 51 K . 18864 2 44 . 1 1 52 52 ARG N N 15 . 1 1 52 52 ARG H H 1 0.668 0.053 . . . 52 R . . 52 R . 18864 2 45 . 1 1 53 53 ASP N N 15 . 1 1 53 53 ASP H H 1 0.801 0.078 . . . 53 D . . 53 D . 18864 2 46 . 1 1 54 54 GLY N N 15 . 1 1 54 54 GLY H H 1 0.773 0.066 . . . 54 G . . 54 G . 18864 2 47 . 1 1 55 55 SER N N 15 . 1 1 55 55 SER H H 1 0.778 0.049 . . . 55 S . . 55 S . 18864 2 48 . 1 1 56 56 LEU N N 15 . 1 1 56 56 LEU H H 1 0.869 0.099 . . . 56 L . . 56 L . 18864 2 49 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.860 0.060 . . . 57 G . . 57 G . 18864 2 50 . 1 1 58 58 TYR N N 15 . 1 1 58 58 TYR H H 1 0.818 0.059 . . . 58 Y . . 58 Y . 18864 2 51 . 1 1 59 59 PHE N N 15 . 1 1 59 59 PHE H H 1 0.779 0.052 . . . 59 F . . 59 F . 18864 2 52 . 1 1 60 60 GLY N N 15 . 1 1 60 60 GLY H H 1 0.808 0.060 . . . 60 G . . 60 G . 18864 2 53 . 1 1 61 61 ARG N N 15 . 1 1 61 61 ARG H H 1 0.762 0.050 . . . 61 R . . 61 R . 18864 2 54 . 1 1 62 62 GLY N N 15 . 1 1 62 62 GLY H H 1 0.862 0.082 . . . 62 G . . 62 G . 18864 2 55 . 1 1 63 63 LYS N N 15 . 1 1 63 63 LYS H H 1 0.782 0.052 . . . 63 K . . 63 K . 18864 2 56 . 1 1 64 64 MET N N 15 . 1 1 64 64 MET H H 1 0.802 0.068 . . . 64 M . . 64 M . 18864 2 57 . 1 1 65 65 VAL N N 15 . 1 1 65 65 VAL H H 1 0.733 0.048 . . . 65 V . . 65 V . 18864 2 58 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.844 0.069 . . . 66 K . . 66 K . 18864 2 59 . 1 1 68 68 PHE N N 15 . 1 1 68 68 PHE H H 1 0.684 0.049 . . . 68 F . . 68 F . 18864 2 60 . 1 1 69 69 GLU N N 15 . 1 1 69 69 GLU H H 1 0.827 0.063 . . . 69 E . . 69 E . 18864 2 61 . 1 1 70 70 ASP N N 15 . 1 1 70 70 ASP H H 1 0.760 0.042 . . . 70 D . . 70 D . 18864 2 62 . 1 1 71 71 ALA N N 15 . 1 1 71 71 ALA H H 1 0.937 0.054 . . . 71 A . . 71 A . 18864 2 63 . 1 1 72 72 ALA N N 15 . 1 1 72 72 ALA H H 1 0.899 0.046 . . . 72 A . . 72 A . 18864 2 64 . 1 1 73 73 PHE N N 15 . 1 1 73 73 PHE H H 1 0.811 0.036 . . . 73 F . . 73 F . 18864 2 65 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.624 0.037 . . . 74 R . . 74 R . 18864 2 66 . 1 1 75 75 LEU N N 15 . 1 1 75 75 LEU H H 1 0.527 0.030 . . . 75 L . . 75 L . 18864 2 67 . 1 1 76 76 GLN N N 15 . 1 1 76 76 GLN H H 1 0.654 0.066 . . . 76 Q . . 76 Q . 18864 2 68 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.778 0.038 . . . 77 V . . 77 V . 18864 2 69 . 1 1 78 78 GLY N N 15 . 1 1 78 78 GLY H H 1 0.802 0.068 . . . 78 G . . 78 G . 18864 2 70 . 1 1 79 79 GLU N N 15 . 1 1 79 79 GLU H H 1 0.761 0.038 . . . 79 E . . 79 E . 18864 2 71 . 1 1 80 80 VAL N N 15 . 1 1 80 80 VAL H H 1 0.673 0.045 . . . 80 V . . 80 V . 18864 2 72 . 1 1 81 81 SER N N 15 . 1 1 81 81 SER H H 1 0.881 0.070 . . . 81 S . . 81 S . 18864 2 73 . 1 1 82 82 GLU N N 15 . 1 1 82 82 GLU H H 1 0.666 0.047 . . . 82 E . . 82 E . 18864 2 74 . 1 1 84 84 VAL N N 15 . 1 1 84 84 VAL H H 1 0.666 0.057 . . . 84 V . . 84 V . 18864 2 75 . 1 1 85 85 LYS N N 15 . 1 1 85 85 LYS H H 1 0.698 0.042 . . . 85 K . . 85 K . 18864 2 76 . 1 1 86 86 SER N N 15 . 1 1 86 86 SER H H 1 0.827 0.068 . . . 86 S . . 86 S . 18864 2 77 . 1 1 87 87 GLU N N 15 . 1 1 87 87 GLU H H 1 0.748 0.086 . . . 87 E . . 87 E . 18864 2 78 . 1 1 88 88 PHE N N 15 . 1 1 88 88 PHE H H 1 0.715 0.058 . . . 88 F . . 88 F . 18864 2 79 . 1 1 89 89 GLY N N 15 . 1 1 89 89 GLY H H 1 0.827 0.051 . . . 89 G . . 89 G . 18864 2 80 . 1 1 90 90 TYR N N 15 . 1 1 90 90 TYR H H 1 0.769 0.068 . . . 90 Y . . 90 Y . 18864 2 81 . 1 1 91 91 HIS N N 15 . 1 1 91 91 HIS H H 1 0.798 0.074 . . . 91 H . . 91 H . 18864 2 82 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.800 0.069 . . . 92 V . . 92 V . 18864 2 83 . 1 1 93 93 ILE N N 15 . 1 1 93 93 ILE H H 1 0.789 0.073 . . . 93 I . . 93 I . 18864 2 84 . 1 1 94 94 LYS N N 15 . 1 1 94 94 LYS H H 1 0.802 0.063 . . . 94 K . . 94 K . 18864 2 85 . 1 1 95 95 ARG N N 15 . 1 1 95 95 ARG H H 1 0.674 0.051 . . . 95 R . . 95 R . 18864 2 86 . 1 1 96 96 LEU N N 15 . 1 1 96 96 LEU H H 1 0.737 0.102 . . . 96 L . . 96 L . 18864 2 87 . 1 1 97 97 GLY N N 15 . 1 1 97 97 GLY H H 1 0.713 0.051 . . . 97 G . . 97 G . 18864 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 18864 _Heteronucl_NOE_list.ID 3 _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 1 '2D 1H-15N HSQC (NOE)' . . . 18864 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 8 8 ASP N N 15 . 1 1 8 8 ASP H H 1 0.420 0.013 . . . 8 D . . 8 D . 18864 3 2 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.543 0.008 . . . 9 K . . 9 K . 18864 3 3 . 1 1 10 10 ILE N N 15 . 1 1 10 10 ILE H H 1 0.753 0.015 . . . 10 I . . 10 I . 18864 3 4 . 1 1 11 11 LYS N N 15 . 1 1 11 11 LYS H H 1 0.793 0.014 . . . 11 K . . 11 K . 18864 3 5 . 1 1 12 12 CYS N N 15 . 1 1 12 12 CYS H H 1 0.816 0.017 . . . 12 C . . 12 C . 18864 3 6 . 1 1 13 13 SER N N 15 . 1 1 13 13 SER H H 1 0.805 0.018 . . . 13 S . . 13 S . 18864 3 7 . 1 1 14 14 HIS N N 15 . 1 1 14 14 HIS H H 1 0.860 0.017 . . . 14 H . . 14 H . 18864 3 8 . 1 1 15 15 ILE N N 15 . 1 1 15 15 ILE H H 1 0.781 0.008 . . . 15 I . . 15 I . 18864 3 9 . 1 1 16 16 LEU N N 15 . 1 1 16 16 LEU H H 1 0.827 0.020 . . . 16 L . . 16 L . 18864 3 10 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.848 0.017 . . . 17 V . . 17 V . 18864 3 11 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.749 0.013 . . . 18 K . . 18 K . 18864 3 12 . 1 1 19 19 LYS N N 15 . 1 1 19 19 LYS H H 1 0.781 0.010 . . . 19 K . . 19 K . 18864 3 13 . 1 1 20 20 GLN N N 15 . 1 1 20 20 GLN H H 1 0.752 0.012 . . . 20 Q . . 20 Q . 18864 3 14 . 1 1 22 22 GLU N N 15 . 1 1 22 22 GLU H H 1 0.795 0.012 . . . 22 E . . 22 E . 18864 3 15 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.824 0.013 . . . 23 A . . 23 A . 18864 3 16 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.848 0.012 . . . 24 L . . 24 L . 18864 3 17 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 0.743 0.010 . . . 25 A . . 25 A . 18864 3 18 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.803 0.011 . . . 26 V . . 26 V . 18864 3 19 . 1 1 27 27 GLN N N 15 . 1 1 27 27 GLN H H 1 1.084 0.017 . . . 27 Q . . 27 Q . 18864 3 20 . 1 1 28 28 GLU N N 15 . 1 1 28 28 GLU H H 1 0.710 0.010 . . . 28 E . . 28 E . 18864 3 21 . 1 1 29 29 ARG N N 15 . 1 1 29 29 ARG H H 1 0.738 0.011 . . . 29 R . . 29 R . 18864 3 22 . 1 1 30 30 LEU N N 15 . 1 1 30 30 LEU H H 1 0.843 0.014 . . . 30 L . . 30 L . 18864 3 23 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.721 0.008 . . . 31 K . . 31 K . 18864 3 24 . 1 1 32 32 ALA N N 15 . 1 1 32 32 ALA H H 1 0.709 0.009 . . . 32 A . . 32 A . 18864 3 25 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.741 0.011 . . . 33 G . . 33 G . 18864 3 26 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.735 0.009 . . . 34 E . . 34 E . 18864 3 27 . 1 1 35 35 LYS N N 15 . 1 1 35 35 LYS H H 1 0.644 0.011 . . . 35 K . . 35 K . 18864 3 28 . 1 1 36 36 PHE N N 15 . 1 1 36 36 PHE H H 1 0.804 0.020 . . . 36 F . . 36 F . 18864 3 29 . 1 1 37 37 GLY N N 15 . 1 1 37 37 GLY H H 1 0.733 0.015 . . . 37 G . . 37 G . 18864 3 30 . 1 1 38 38 LYS N N 15 . 1 1 38 38 LYS H H 1 0.700 0.010 . . . 38 K . . 38 K . 18864 3 31 . 1 1 39 39 LEU N N 15 . 1 1 39 39 LEU H H 1 0.771 0.013 . . . 39 L . . 39 L . 18864 3 32 . 1 1 40 40 ALA N N 15 . 1 1 40 40 ALA H H 1 0.649 0.009 . . . 40 A . . 40 A . 18864 3 33 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.808 0.010 . . . 41 K . . 41 K . 18864 3 34 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.789 0.011 . . . 42 E . . 42 E . 18864 3 35 . 1 1 43 43 LEU N N 15 . 1 1 43 43 LEU H H 1 0.733 0.015 . . . 43 L . . 43 L . 18864 3 36 . 1 1 44 44 SER N N 15 . 1 1 44 44 SER H H 1 0.838 0.007 . . . 44 S . . 44 S . 18864 3 37 . 1 1 45 45 ILE N N 15 . 1 1 45 45 ILE H H 1 0.790 0.023 . . . 45 I . . 45 I . 18864 3 38 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.771 0.014 . . . 46 D . . 46 D . 18864 3 39 . 1 1 47 47 GLY N N 15 . 1 1 47 47 GLY H H 1 0.727 0.025 . . . 47 G . . 47 G . 18864 3 40 . 1 1 48 48 GLY N N 15 . 1 1 48 48 GLY H H 1 0.625 0.015 . . . 48 G . . 48 G . 18864 3 41 . 1 1 49 49 SER N N 15 . 1 1 49 49 SER H H 1 0.642 0.023 . . . 49 S . . 49 S . 18864 3 42 . 1 1 50 50 ALA N N 15 . 1 1 50 50 ALA H H 1 0.889 0.017 . . . 50 A . . 50 A . 18864 3 43 . 1 1 51 51 LYS N N 15 . 1 1 51 51 LYS H H 1 0.706 0.015 . . . 51 K . . 51 K . 18864 3 44 . 1 1 52 52 ARG N N 15 . 1 1 52 52 ARG H H 1 0.768 0.015 . . . 52 R . . 52 R . 18864 3 45 . 1 1 53 53 ASP N N 15 . 1 1 53 53 ASP H H 1 0.971 0.026 . . . 53 D . . 53 D . 18864 3 46 . 1 1 54 54 GLY N N 15 . 1 1 54 54 GLY H H 1 0.787 0.014 . . . 54 G . . 54 G . 18864 3 47 . 1 1 55 55 SER N N 15 . 1 1 55 55 SER H H 1 0.707 0.013 . . . 55 S . . 55 S . 18864 3 48 . 1 1 56 56 LEU N N 15 . 1 1 56 56 LEU H H 1 0.823 0.021 . . . 56 L . . 56 L . 18864 3 49 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.756 0.013 . . . 57 G . . 57 G . 18864 3 50 . 1 1 58 58 TYR N N 15 . 1 1 58 58 TYR H H 1 0.789 0.013 . . . 58 Y . . 58 Y . 18864 3 51 . 1 1 59 59 PHE N N 15 . 1 1 59 59 PHE H H 1 0.809 0.015 . . . 59 F . . 59 F . 18864 3 52 . 1 1 60 60 GLY N N 15 . 1 1 60 60 GLY H H 1 0.802 0.014 . . . 60 G . . 60 G . 18864 3 53 . 1 1 61 61 ARG N N 15 . 1 1 61 61 ARG H H 1 0.711 0.012 . . . 61 R . . 61 R . 18864 3 54 . 1 1 62 62 GLY N N 15 . 1 1 62 62 GLY H H 1 0.742 0.020 . . . 62 G . . 62 G . 18864 3 55 . 1 1 63 63 LYS N N 15 . 1 1 63 63 LYS H H 1 0.721 0.012 . . . 63 K . . 63 K . 18864 3 56 . 1 1 64 64 MET N N 15 . 1 1 64 64 MET H H 1 0.773 0.010 . . . 64 M . . 64 M . 18864 3 57 . 1 1 65 65 VAL N N 15 . 1 1 65 65 VAL H H 1 0.804 0.015 . . . 65 V . . 65 V . 18864 3 58 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.794 0.014 . . . 66 K . . 66 K . 18864 3 59 . 1 1 68 68 PHE N N 15 . 1 1 68 68 PHE H H 1 0.831 0.015 . . . 68 F . . 68 F . 18864 3 60 . 1 1 69 69 GLU N N 15 . 1 1 69 69 GLU H H 1 0.841 0.015 . . . 69 E . . 69 E . 18864 3 61 . 1 1 70 70 ASP N N 15 . 1 1 70 70 ASP H H 1 0.788 0.011 . . . 70 D . . 70 D . 18864 3 62 . 1 1 71 71 ALA N N 15 . 1 1 71 71 ALA H H 1 0.791 0.011 . . . 71 A . . 71 A . 18864 3 63 . 1 1 72 72 ALA N N 15 . 1 1 72 72 ALA H H 1 0.800 0.010 . . . 72 A . . 72 A . 18864 3 64 . 1 1 73 73 PHE N N 15 . 1 1 73 73 PHE H H 1 0.838 0.007 . . . 73 F . . 73 F . 18864 3 65 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.810 0.013 . . . 74 R . . 74 R . 18864 3 66 . 1 1 75 75 LEU N N 15 . 1 1 75 75 LEU H H 1 0.745 0.012 . . . 75 L . . 75 L . 18864 3 67 . 1 1 76 76 GLN N N 15 . 1 1 76 76 GLN H H 1 0.760 0.016 . . . 76 Q . . 76 Q . 18864 3 68 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.781 0.008 . . . 77 V . . 77 V . 18864 3 69 . 1 1 78 78 GLY N N 15 . 1 1 78 78 GLY H H 1 0.773 0.010 . . . 78 G . . 78 G . 18864 3 70 . 1 1 79 79 GLU N N 15 . 1 1 79 79 GLU H H 1 0.752 0.011 . . . 79 E . . 79 E . 18864 3 71 . 1 1 80 80 VAL N N 15 . 1 1 80 80 VAL H H 1 0.681 0.011 . . . 80 V . . 80 V . 18864 3 72 . 1 1 81 81 SER N N 15 . 1 1 81 81 SER H H 1 0.829 0.014 . . . 81 S . . 81 S . 18864 3 73 . 1 1 82 82 GLU N N 15 . 1 1 82 82 GLU H H 1 0.764 0.012 . . . 82 E . . 82 E . 18864 3 74 . 1 1 84 84 VAL N N 15 . 1 1 84 84 VAL H H 1 0.792 0.016 . . . 84 V . . 84 V . 18864 3 75 . 1 1 85 85 LYS N N 15 . 1 1 85 85 LYS H H 1 0.770 0.011 . . . 85 K . . 85 K . 18864 3 76 . 1 1 86 86 SER N N 15 . 1 1 86 86 SER H H 1 0.793 0.015 . . . 86 S . . 86 S . 18864 3 77 . 1 1 87 87 GLU N N 15 . 1 1 87 87 GLU H H 1 0.821 0.021 . . . 87 E . . 87 E . 18864 3 78 . 1 1 88 88 PHE N N 15 . 1 1 88 88 PHE H H 1 0.811 0.015 . . . 88 F . . 88 F . 18864 3 79 . 1 1 89 89 GLY N N 15 . 1 1 89 89 GLY H H 1 0.770 0.013 . . . 89 G . . 89 G . 18864 3 80 . 1 1 90 90 TYR N N 15 . 1 1 90 90 TYR H H 1 0.766 0.016 . . . 90 Y . . 90 Y . 18864 3 81 . 1 1 91 91 HIS N N 15 . 1 1 91 91 HIS H H 1 0.790 0.017 . . . 91 H . . 91 H . 18864 3 82 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.775 0.016 . . . 92 V . . 92 V . 18864 3 83 . 1 1 93 93 ILE N N 15 . 1 1 93 93 ILE H H 1 0.813 0.018 . . . 93 I . . 93 I . 18864 3 84 . 1 1 94 94 LYS N N 15 . 1 1 94 94 LYS H H 1 0.773 0.013 . . . 94 K . . 94 K . 18864 3 85 . 1 1 95 95 ARG N N 15 . 1 1 95 95 ARG H H 1 0.821 0.015 . . . 95 R . . 95 R . 18864 3 86 . 1 1 96 96 LEU N N 15 . 1 1 96 96 LEU H H 1 0.812 0.025 . . . 96 L . . 96 L . 18864 3 87 . 1 1 97 97 GLY N N 15 . 1 1 97 97 GLY H H 1 0.740 0.013 . . . 97 G . . 97 G . 18864 3 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_4 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_4 _Heteronucl_NOE_list.Entry_ID 18864 _Heteronucl_NOE_list.ID 4 _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 4 '2D 1H-15N HSQC (NOE)' . . . 18864 4 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 8 8 ASP N N 15 . 1 1 8 8 ASP H H 1 0.463 0.028 . . . 8 D . . 8 D . 18864 4 2 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.508 0.016 . . . 9 K . . 9 K . 18864 4 3 . 1 1 10 10 ILE N N 15 . 1 1 10 10 ILE H H 1 0.767 0.030 . . . 10 I . . 10 I . 18864 4 4 . 1 1 11 11 LYS N N 15 . 1 1 11 11 LYS H H 1 0.752 0.028 . . . 11 K . . 11 K . 18864 4 5 . 1 1 12 12 CYS N N 15 . 1 1 12 12 CYS H H 1 0.829 0.034 . . . 12 C . . 12 C . 18864 4 6 . 1 1 13 13 SER N N 15 . 1 1 13 13 SER H H 1 0.768 0.035 . . . 13 S . . 13 S . 18864 4 7 . 1 1 14 14 HIS N N 15 . 1 1 14 14 HIS H H 1 0.824 0.029 . . . 14 H . . 14 H . 18864 4 8 . 1 1 15 15 ILE N N 15 . 1 1 15 15 ILE H H 1 0.832 0.017 . . . 15 I . . 15 I . 18864 4 9 . 1 1 16 16 LEU N N 15 . 1 1 16 16 LEU H H 1 0.851 0.039 . . . 16 L . . 16 L . 18864 4 10 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.844 0.032 . . . 17 V . . 17 V . 18864 4 11 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.816 0.027 . . . 18 K . . 18 K . 18864 4 12 . 1 1 19 19 LYS N N 15 . 1 1 19 19 LYS H H 1 0.758 0.018 . . . 19 K . . 19 K . 18864 4 13 . 1 1 20 20 GLN N N 15 . 1 1 20 20 GLN H H 1 0.821 0.025 . . . 20 Q . . 20 Q . 18864 4 14 . 1 1 22 22 GLU N N 15 . 1 1 22 22 GLU H H 1 0.803 0.024 . . . 22 E . . 22 E . 18864 4 15 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.793 0.026 . . . 23 A . . 23 A . 18864 4 16 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.735 0.019 . . . 24 L . . 24 L . 18864 4 17 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 0.738 0.019 . . . 25 A . . 25 A . 18864 4 18 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.808 0.021 . . . 26 V . . 26 V . 18864 4 19 . 1 1 27 27 GLN N N 15 . 1 1 27 27 GLN H H 1 0.814 0.020 . . . 27 Q . . 27 Q . 18864 4 20 . 1 1 28 28 GLU N N 15 . 1 1 28 28 GLU H H 1 0.767 0.020 . . . 28 E . . 28 E . 18864 4 21 . 1 1 29 29 ARG N N 15 . 1 1 29 29 ARG H H 1 0.732 0.022 . . . 29 R . . 29 R . 18864 4 22 . 1 1 30 30 LEU N N 15 . 1 1 30 30 LEU H H 1 0.753 0.025 . . . 30 L . . 30 L . 18864 4 23 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.619 0.014 . . . 31 K . . 31 K . 18864 4 24 . 1 1 32 32 ALA N N 15 . 1 1 32 32 ALA H H 1 0.774 0.019 . . . 32 A . . 32 A . 18864 4 25 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.793 0.022 . . . 33 G . . 33 G . 18864 4 26 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.791 0.020 . . . 34 E . . 34 E . 18864 4 27 . 1 1 35 35 LYS N N 15 . 1 1 35 35 LYS H H 1 0.696 0.021 . . . 35 K . . 35 K . 18864 4 28 . 1 1 36 36 PHE N N 15 . 1 1 36 36 PHE H H 1 0.862 0.041 . . . 36 F . . 36 F . 18864 4 29 . 1 1 37 37 GLY N N 15 . 1 1 37 37 GLY H H 1 0.738 0.028 . . . 37 G . . 37 G . 18864 4 30 . 1 1 38 38 LYS N N 15 . 1 1 38 38 LYS H H 1 0.780 0.021 . . . 38 K . . 38 K . 18864 4 31 . 1 1 39 39 LEU N N 15 . 1 1 39 39 LEU H H 1 0.860 0.025 . . . 39 L . . 39 L . 18864 4 32 . 1 1 40 40 ALA N N 15 . 1 1 40 40 ALA H H 1 0.670 0.017 . . . 40 A . . 40 A . 18864 4 33 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.821 0.020 . . . 41 K . . 41 K . 18864 4 34 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.766 0.021 . . . 42 E . . 42 E . 18864 4 35 . 1 1 43 43 LEU N N 15 . 1 1 43 43 LEU H H 1 0.762 0.029 . . . 43 L . . 43 L . 18864 4 36 . 1 1 44 44 SER N N 15 . 1 1 44 44 SER H H 1 0.787 0.013 . . . 44 S . . 44 S . 18864 4 37 . 1 1 45 45 ILE N N 15 . 1 1 45 45 ILE H H 1 0.856 0.049 . . . 45 I . . 45 I . 18864 4 38 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.807 0.030 . . . 46 D . . 46 D . 18864 4 39 . 1 1 47 47 GLY N N 15 . 1 1 47 47 GLY H H 1 0.721 0.048 . . . 47 G . . 47 G . 18864 4 40 . 1 1 48 48 GLY N N 15 . 1 1 48 48 GLY H H 1 0.570 0.029 . . . 48 G . . 48 G . 18864 4 41 . 1 1 49 49 SER N N 15 . 1 1 49 49 SER H H 1 0.633 0.043 . . . 49 S . . 49 S . 18864 4 42 . 1 1 50 50 ALA N N 15 . 1 1 50 50 ALA H H 1 0.810 0.027 . . . 50 A . . 50 A . 18864 4 43 . 1 1 51 51 LYS N N 15 . 1 1 51 51 LYS H H 1 0.696 0.027 . . . 51 K . . 51 K . 18864 4 44 . 1 1 52 52 ARG N N 15 . 1 1 52 52 ARG H H 1 0.733 0.028 . . . 52 R . . 52 R . 18864 4 45 . 1 1 53 53 ASP N N 15 . 1 1 53 53 ASP H H 1 0.628 0.030 . . . 53 D . . 53 D . 18864 4 46 . 1 1 54 54 GLY N N 15 . 1 1 54 54 GLY H H 1 0.767 0.028 . . . 54 G . . 54 G . 18864 4 47 . 1 1 55 55 SER N N 15 . 1 1 55 55 SER H H 1 0.715 0.024 . . . 55 S . . 55 S . 18864 4 48 . 1 1 56 56 LEU N N 15 . 1 1 56 56 LEU H H 1 0.803 0.039 . . . 56 L . . 56 L . 18864 4 49 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.777 0.028 . . . 57 G . . 57 G . 18864 4 50 . 1 1 58 58 TYR N N 15 . 1 1 58 58 TYR H H 1 0.725 0.025 . . . 58 Y . . 58 Y . 18864 4 51 . 1 1 59 59 PHE N N 15 . 1 1 59 59 PHE H H 1 0.819 0.030 . . . 59 F . . 59 F . 18864 4 52 . 1 1 60 60 GLY N N 15 . 1 1 60 60 GLY H H 1 0.808 0.030 . . . 60 G . . 60 G . 18864 4 53 . 1 1 61 61 ARG N N 15 . 1 1 61 61 ARG H H 1 0.710 0.022 . . . 61 R . . 61 R . 18864 4 54 . 1 1 62 62 GLY N N 15 . 1 1 62 62 GLY H H 1 0.770 0.043 . . . 62 G . . 62 G . 18864 4 55 . 1 1 63 63 LYS N N 15 . 1 1 63 63 LYS H H 1 0.750 0.024 . . . 63 K . . 63 K . 18864 4 56 . 1 1 64 64 MET N N 15 . 1 1 64 64 MET H H 1 0.795 0.020 . . . 64 M . . 64 M . 18864 4 57 . 1 1 65 65 VAL N N 15 . 1 1 65 65 VAL H H 1 0.750 0.026 . . . 65 V . . 65 V . 18864 4 58 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.822 0.028 . . . 66 K . . 66 K . 18864 4 59 . 1 1 68 68 PHE N N 15 . 1 1 68 68 PHE H H 1 0.903 0.032 . . . 68 F . . 68 F . 18864 4 60 . 1 1 69 69 GLU N N 15 . 1 1 69 69 GLU H H 1 0.787 0.027 . . . 69 E . . 69 E . 18864 4 61 . 1 1 70 70 ASP N N 15 . 1 1 70 70 ASP H H 1 0.800 0.022 . . . 70 D . . 70 D . 18864 4 62 . 1 1 71 71 ALA N N 15 . 1 1 71 71 ALA H H 1 0.791 0.020 . . . 71 A . . 71 A . 18864 4 63 . 1 1 72 72 ALA N N 15 . 1 1 72 72 ALA H H 1 0.797 0.020 . . . 72 A . . 72 A . 18864 4 64 . 1 1 73 73 PHE N N 15 . 1 1 73 73 PHE H H 1 0.787 0.013 . . . 73 F . . 73 F . 18864 4 65 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.805 0.025 . . . 74 R . . 74 R . 18864 4 66 . 1 1 75 75 LEU N N 15 . 1 1 75 75 LEU H H 1 0.772 0.025 . . . 75 L . . 75 L . 18864 4 67 . 1 1 76 76 GLN N N 15 . 1 1 76 76 GLN H H 1 0.821 0.033 . . . 76 Q . . 76 Q . 18864 4 68 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.832 0.017 . . . 77 V . . 77 V . 18864 4 69 . 1 1 78 78 GLY N N 15 . 1 1 78 78 GLY H H 1 0.795 0.020 . . . 78 G . . 78 G . 18864 4 70 . 1 1 79 79 GLU N N 15 . 1 1 79 79 GLU H H 1 0.755 0.019 . . . 79 E . . 79 E . 18864 4 71 . 1 1 80 80 VAL N N 15 . 1 1 80 80 VAL H H 1 0.617 0.020 . . . 80 V . . 80 V . 18864 4 72 . 1 1 81 81 SER N N 15 . 1 1 81 81 SER H H 1 0.828 0.029 . . . 81 S . . 81 S . 18864 4 73 . 1 1 82 82 GLU N N 15 . 1 1 82 82 GLU H H 1 0.763 0.024 . . . 82 E . . 82 E . 18864 4 74 . 1 1 84 84 VAL N N 15 . 1 1 84 84 VAL H H 1 0.803 0.032 . . . 84 V . . 84 V . 18864 4 75 . 1 1 85 85 LYS N N 15 . 1 1 85 85 LYS H H 1 0.760 0.022 . . . 85 K . . 85 K . 18864 4 76 . 1 1 86 86 SER N N 15 . 1 1 86 86 SER H H 1 0.826 0.030 . . . 86 S . . 86 S . 18864 4 77 . 1 1 87 87 GLU N N 15 . 1 1 87 87 GLU H H 1 0.794 0.036 . . . 87 E . . 87 E . 18864 4 78 . 1 1 88 88 PHE N N 15 . 1 1 88 88 PHE H H 1 0.813 0.031 . . . 88 F . . 88 F . 18864 4 79 . 1 1 89 89 GLY N N 15 . 1 1 89 89 GLY H H 1 0.779 0.024 . . . 89 G . . 89 G . 18864 4 80 . 1 1 90 90 TYR N N 15 . 1 1 90 90 TYR H H 1 0.847 0.035 . . . 90 Y . . 90 Y . 18864 4 81 . 1 1 91 91 HIS N N 15 . 1 1 91 91 HIS H H 1 0.805 0.035 . . . 91 H . . 91 H . 18864 4 82 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.826 0.034 . . . 92 V . . 92 V . 18864 4 83 . 1 1 93 93 ILE N N 15 . 1 1 93 93 ILE H H 1 0.784 0.037 . . . 93 I . . 93 I . 18864 4 84 . 1 1 94 94 LYS N N 15 . 1 1 94 94 LYS H H 1 0.826 0.028 . . . 94 K . . 94 K . 18864 4 85 . 1 1 95 95 ARG N N 15 . 1 1 95 95 ARG H H 1 0.800 0.031 . . . 95 R . . 95 R . 18864 4 86 . 1 1 96 96 LEU N N 15 . 1 1 96 96 LEU H H 1 0.854 0.051 . . . 96 L . . 96 L . 18864 4 87 . 1 1 97 97 GLY N N 15 . 1 1 97 97 GLY H H 1 0.818 0.027 . . . 97 G . . 97 G . 18864 4 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_5 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_5 _Heteronucl_NOE_list.Entry_ID 18864 _Heteronucl_NOE_list.ID 5 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 700 _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 1 '2D 1H-15N HSQC (NOE)' . . . 18864 5 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 8 8 ASP N N 15 . 1 1 8 8 ASP H H 1 0.504 0.010 . . . 8 D . . 8 D . 18864 5 2 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.653 0.006 . . . 9 K . . 9 K . 18864 5 3 . 1 1 10 10 ILE N N 15 . 1 1 10 10 ILE H H 1 0.750 0.010 . . . 10 I . . 10 I . 18864 5 4 . 1 1 11 11 LYS N N 15 . 1 1 11 11 LYS H H 1 0.825 0.011 . . . 11 K . . 11 K . 18864 5 5 . 1 1 12 12 CYS N N 15 . 1 1 12 12 CYS H H 1 0.870 0.011 . . . 12 C . . 12 C . 18864 5 6 . 1 1 13 13 SER N N 15 . 1 1 13 13 SER H H 1 0.852 0.012 . . . 13 S . . 13 S . 18864 5 7 . 1 1 14 14 HIS N N 15 . 1 1 14 14 HIS H H 1 0.875 0.012 . . . 14 H . . 14 H . 18864 5 8 . 1 1 15 15 ILE N N 15 . 1 1 15 15 ILE H H 1 0.937 0.007 . . . 15 I . . 15 I . 18864 5 9 . 1 1 16 16 LEU N N 15 . 1 1 16 16 LEU H H 1 0.802 0.015 . . . 16 L . . 16 L . 18864 5 10 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.821 0.012 . . . 17 V . . 17 V . 18864 5 11 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.865 0.011 . . . 18 K . . 18 K . 18864 5 12 . 1 1 19 19 LYS N N 15 . 1 1 19 19 LYS H H 1 0.859 0.009 . . . 19 K . . 19 K . 18864 5 13 . 1 1 20 20 GLN N N 15 . 1 1 20 20 GLN H H 1 0.753 0.009 . . . 20 Q . . 20 Q . 18864 5 14 . 1 1 22 22 GLU N N 15 . 1 1 22 22 GLU H H 1 0.806 0.009 . . . 22 E . . 22 E . 18864 5 15 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.702 0.008 . . . 23 A . . 23 A . 18864 5 16 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.716 0.008 . . . 24 L . . 24 L . 18864 5 17 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 0.673 0.006 . . . 25 A . . 25 A . 18864 5 18 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.924 0.010 . . . 26 V . . 26 V . 18864 5 19 . 1 1 27 27 GLN N N 15 . 1 1 27 27 GLN H H 1 0.691 0.007 . . . 27 Q . . 27 Q . 18864 5 20 . 1 1 28 28 GLU N N 15 . 1 1 28 28 GLU H H 1 0.766 0.006 . . . 28 E . . 28 E . 18864 5 21 . 1 1 29 29 ARG N N 15 . 1 1 29 29 ARG H H 1 0.840 0.009 . . . 29 R . . 29 R . 18864 5 22 . 1 1 30 30 LEU N N 15 . 1 1 30 30 LEU H H 1 0.705 0.009 . . . 30 L . . 30 L . 18864 5 23 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.831 0.007 . . . 31 K . . 31 K . 18864 5 24 . 1 1 32 32 ALA N N 15 . 1 1 32 32 ALA H H 1 0.740 0.006 . . . 32 A . . 32 A . 18864 5 25 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.861 0.009 . . . 33 G . . 33 G . 18864 5 26 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.781 0.007 . . . 34 E . . 34 E . 18864 5 27 . 1 1 35 35 LYS N N 15 . 1 1 35 35 LYS H H 1 0.713 0.008 . . . 35 K . . 35 K . 18864 5 28 . 1 1 36 36 PHE N N 15 . 1 1 36 36 PHE H H 1 0.845 0.017 . . . 36 F . . 36 F . 18864 5 29 . 1 1 37 37 GLY N N 15 . 1 1 37 37 GLY H H 1 0.879 0.011 . . . 37 G . . 37 G . 18864 5 30 . 1 1 38 38 LYS N N 15 . 1 1 38 38 LYS H H 1 0.932 0.010 . . . 38 K . . 38 K . 18864 5 31 . 1 1 39 39 LEU N N 15 . 1 1 39 39 LEU H H 1 0.829 0.009 . . . 39 L . . 39 L . 18864 5 32 . 1 1 40 40 ALA N N 15 . 1 1 40 40 ALA H H 1 0.867 0.009 . . . 40 A . . 40 A . 18864 5 33 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.919 0.010 . . . 41 K . . 41 K . 18864 5 34 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.971 0.010 . . . 42 E . . 42 E . 18864 5 35 . 1 1 43 43 LEU N N 15 . 1 1 43 43 LEU H H 1 0.732 0.010 . . . 43 L . . 43 L . 18864 5 36 . 1 1 44 44 SER N N 15 . 1 1 44 44 SER H H 1 0.815 0.005 . . . 44 S . . 44 S . 18864 5 37 . 1 1 45 45 ILE N N 15 . 1 1 45 45 ILE H H 1 0.857 0.014 . . . 45 I . . 45 I . 18864 5 38 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.885 0.012 . . . 46 D . . 46 D . 18864 5 39 . 1 1 47 47 GLY N N 15 . 1 1 47 47 GLY H H 1 0.735 0.019 . . . 47 G . . 47 G . 18864 5 40 . 1 1 48 48 GLY N N 15 . 1 1 48 48 GLY H H 1 0.639 0.011 . . . 48 G . . 48 G . 18864 5 41 . 1 1 49 49 SER N N 15 . 1 1 49 49 SER H H 1 0.672 0.015 . . . 49 S . . 49 S . 18864 5 42 . 1 1 50 50 ALA N N 15 . 1 1 50 50 ALA H H 1 0.869 0.012 . . . 50 A . . 50 A . 18864 5 43 . 1 1 51 51 LYS N N 15 . 1 1 51 51 LYS H H 1 0.736 0.011 . . . 51 K . . 51 K . 18864 5 44 . 1 1 52 52 ARG N N 15 . 1 1 52 52 ARG H H 1 0.753 0.013 . . . 52 R . . 52 R . 18864 5 45 . 1 1 53 53 ASP N N 15 . 1 1 53 53 ASP H H 1 0.836 0.013 . . . 53 D . . 53 D . 18864 5 46 . 1 1 54 54 GLY N N 15 . 1 1 54 54 GLY H H 1 0.783 0.010 . . . 54 G . . 54 G . 18864 5 47 . 1 1 55 55 SER N N 15 . 1 1 55 55 SER H H 1 0.884 0.011 . . . 55 S . . 55 S . 18864 5 48 . 1 1 56 56 LEU N N 15 . 1 1 56 56 LEU H H 1 0.906 0.016 . . . 56 L . . 56 L . 18864 5 49 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.873 0.010 . . . 57 G . . 57 G . 18864 5 50 . 1 1 58 58 TYR N N 15 . 1 1 58 58 TYR H H 1 0.803 0.009 . . . 58 Y . . 58 Y . 18864 5 51 . 1 1 59 59 PHE N N 15 . 1 1 59 59 PHE H H 1 0.812 0.009 . . . 59 F . . 59 F . 18864 5 52 . 1 1 60 60 GLY N N 15 . 1 1 60 60 GLY H H 1 0.904 0.014 . . . 60 G . . 60 G . 18864 5 53 . 1 1 61 61 ARG N N 15 . 1 1 61 61 ARG H H 1 0.742 0.008 . . . 61 R . . 61 R . 18864 5 54 . 1 1 62 62 GLY N N 15 . 1 1 62 62 GLY H H 1 0.873 0.016 . . . 62 G . . 62 G . 18864 5 55 . 1 1 63 63 LYS N N 15 . 1 1 63 63 LYS H H 1 0.805 0.011 . . . 63 K . . 63 K . 18864 5 56 . 1 1 64 64 MET N N 15 . 1 1 64 64 MET H H 1 0.879 0.008 . . . 64 M . . 64 M . 18864 5 57 . 1 1 65 65 VAL N N 15 . 1 1 65 65 VAL H H 1 0.824 0.009 . . . 65 V . . 65 V . 18864 5 58 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.808 0.010 . . . 66 K . . 66 K . 18864 5 59 . 1 1 68 68 PHE N N 15 . 1 1 68 68 PHE H H 1 0.858 0.012 . . . 68 F . . 68 F . 18864 5 60 . 1 1 69 69 GLU N N 15 . 1 1 69 69 GLU H H 1 0.947 0.013 . . . 69 E . . 69 E . 18864 5 61 . 1 1 70 70 ASP N N 15 . 1 1 70 70 ASP H H 1 0.852 0.007 . . . 70 D . . 70 D . 18864 5 62 . 1 1 71 71 ALA N N 15 . 1 1 71 71 ALA H H 1 0.821 0.008 . . . 71 A . . 71 A . 18864 5 63 . 1 1 72 72 ALA N N 15 . 1 1 72 72 ALA H H 1 0.945 0.009 . . . 72 A . . 72 A . 18864 5 64 . 1 1 73 73 PHE N N 15 . 1 1 73 73 PHE H H 1 0.815 0.005 . . . 73 F . . 73 F . 18864 5 65 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.763 0.009 . . . 74 R . . 74 R . 18864 5 66 . 1 1 75 75 LEU N N 15 . 1 1 75 75 LEU H H 1 0.784 0.009 . . . 75 L . . 75 L . 18864 5 67 . 1 1 76 76 GLN N N 15 . 1 1 76 76 GLN H H 1 0.720 0.009 . . . 76 Q . . 76 Q . 18864 5 68 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.937 0.007 . . . 77 V . . 77 V . 18864 5 69 . 1 1 78 78 GLY N N 15 . 1 1 78 78 GLY H H 1 0.879 0.008 . . . 78 G . . 78 G . 18864 5 70 . 1 1 79 79 GLU N N 15 . 1 1 79 79 GLU H H 1 0.826 0.007 . . . 79 E . . 79 E . 18864 5 71 . 1 1 80 80 VAL N N 15 . 1 1 80 80 VAL H H 1 0.798 0.008 . . . 80 V . . 80 V . 18864 5 72 . 1 1 81 81 SER N N 15 . 1 1 81 81 SER H H 1 0.944 0.014 . . . 81 S . . 81 S . 18864 5 73 . 1 1 82 82 GLU N N 15 . 1 1 82 82 GLU H H 1 0.846 0.011 . . . 82 E . . 82 E . 18864 5 74 . 1 1 84 84 VAL N N 15 . 1 1 84 84 VAL H H 1 0.780 0.013 . . . 84 V . . 84 V . 18864 5 75 . 1 1 85 85 LYS N N 15 . 1 1 85 85 LYS H H 1 0.745 0.008 . . . 85 K . . 85 K . 18864 5 76 . 1 1 86 86 SER N N 15 . 1 1 86 86 SER H H 1 0.917 0.014 . . . 86 S . . 86 S . 18864 5 77 . 1 1 87 87 GLU N N 15 . 1 1 87 87 GLU H H 1 0.727 0.014 . . . 87 E . . 87 E . 18864 5 78 . 1 1 88 88 PHE N N 15 . 1 1 88 88 PHE H H 1 0.856 0.011 . . . 88 F . . 88 F . 18864 5 79 . 1 1 89 89 GLY N N 15 . 1 1 89 89 GLY H H 1 0.755 0.008 . . . 89 G . . 89 G . 18864 5 80 . 1 1 90 90 TYR N N 15 . 1 1 90 90 TYR H H 1 0.763 0.010 . . . 90 Y . . 90 Y . 18864 5 81 . 1 1 91 91 HIS N N 15 . 1 1 91 91 HIS H H 1 0.869 0.013 . . . 91 H . . 91 H . 18864 5 82 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.748 0.010 . . . 92 V . . 92 V . 18864 5 83 . 1 1 93 93 ILE N N 15 . 1 1 93 93 ILE H H 1 0.884 0.018 . . . 93 I . . 93 I . 18864 5 84 . 1 1 94 94 LYS N N 15 . 1 1 94 94 LYS H H 1 0.741 0.010 . . . 94 K . . 94 K . 18864 5 85 . 1 1 95 95 ARG N N 15 . 1 1 95 95 ARG H H 1 0.830 0.012 . . . 95 R . . 95 R . 18864 5 86 . 1 1 96 96 LEU N N 15 . 1 1 96 96 LEU H H 1 0.853 0.017 . . . 96 L . . 96 L . 18864 5 87 . 1 1 97 97 GLY N N 15 . 1 1 97 97 GLY H H 1 0.749 0.010 . . . 97 G . . 97 G . 18864 5 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_6 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_6 _Heteronucl_NOE_list.Entry_ID 18864 _Heteronucl_NOE_list.ID 6 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 700 _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 6 '2D 1H-15N HSQC (NOE)' . . . 18864 6 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 8 8 ASP N N 15 . 1 1 8 8 ASP H H 1 0.494 0.024 . . . 8 D . . 8 D . 18864 6 2 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.589 0.015 . . . 9 K . . 9 K . 18864 6 3 . 1 1 10 10 ILE N N 15 . 1 1 10 10 ILE H H 1 0.823 0.025 . . . 10 I . . 10 I . 18864 6 4 . 1 1 11 11 LYS N N 15 . 1 1 11 11 LYS H H 1 0.764 0.023 . . . 11 K . . 11 K . 18864 6 5 . 1 1 12 12 CYS N N 15 . 1 1 12 12 CYS H H 1 0.871 0.029 . . . 12 C . . 12 C . 18864 6 6 . 1 1 13 13 SER N N 15 . 1 1 13 13 SER H H 1 0.810 0.025 . . . 13 S . . 13 S . 18864 6 7 . 1 1 14 14 HIS N N 15 . 1 1 14 14 HIS H H 1 0.864 0.025 . . . 14 H . . 14 H . 18864 6 8 . 1 1 15 15 ILE N N 15 . 1 1 15 15 ILE H H 1 0.882 0.014 . . . 15 I . . 15 I . 18864 6 9 . 1 1 16 16 LEU N N 15 . 1 1 16 16 LEU H H 1 0.801 0.030 . . . 16 L . . 16 L . 18864 6 10 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.811 0.026 . . . 17 V . . 17 V . 18864 6 11 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.818 0.021 . . . 18 K . . 18 K . 18864 6 12 . 1 1 19 19 LYS N N 15 . 1 1 19 19 LYS H H 1 0.804 0.017 . . . 19 K . . 19 K . 18864 6 13 . 1 1 20 20 GLN N N 15 . 1 1 20 20 GLN H H 1 0.811 0.021 . . . 20 Q . . 20 Q . 18864 6 14 . 1 1 22 22 GLU N N 15 . 1 1 22 22 GLU H H 1 0.847 0.021 . . . 22 E . . 22 E . 18864 6 15 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.885 0.022 . . . 23 A . . 23 A . 18864 6 16 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.788 0.017 . . . 24 L . . 24 L . 18864 6 17 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 0.830 0.016 . . . 25 A . . 25 A . 18864 6 18 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.834 0.018 . . . 26 V . . 26 V . 18864 6 19 . 1 1 27 27 GLN N N 15 . 1 1 27 27 GLN H H 1 0.835 0.018 . . . 27 Q . . 27 Q . 18864 6 20 . 1 1 28 28 GLU N N 15 . 1 1 28 28 GLU H H 1 0.840 0.017 . . . 28 E . . 28 E . 18864 6 21 . 1 1 29 29 ARG N N 15 . 1 1 29 29 ARG H H 1 0.804 0.020 . . . 29 R . . 29 R . 18864 6 22 . 1 1 30 30 LEU N N 15 . 1 1 30 30 LEU H H 1 0.832 0.022 . . . 30 L . . 30 L . 18864 6 23 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.653 0.012 . . . 31 K . . 31 K . 18864 6 24 . 1 1 32 32 ALA N N 15 . 1 1 32 32 ALA H H 1 0.795 0.015 . . . 32 A . . 32 A . 18864 6 25 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.855 0.018 . . . 33 G . . 33 G . 18864 6 26 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.821 0.017 . . . 34 E . . 34 E . 18864 6 27 . 1 1 35 35 LYS N N 15 . 1 1 35 35 LYS H H 1 0.768 0.018 . . . 35 K . . 35 K . 18864 6 28 . 1 1 36 36 PHE N N 15 . 1 1 36 36 PHE H H 1 0.881 0.033 . . . 36 F . . 36 F . 18864 6 29 . 1 1 37 37 GLY N N 15 . 1 1 37 37 GLY H H 1 0.840 0.024 . . . 37 G . . 37 G . 18864 6 30 . 1 1 38 38 LYS N N 15 . 1 1 38 38 LYS H H 1 0.833 0.016 . . . 38 K . . 38 K . 18864 6 31 . 1 1 39 39 LEU N N 15 . 1 1 39 39 LEU H H 1 0.887 0.020 . . . 39 L . . 39 L . 18864 6 32 . 1 1 40 40 ALA N N 15 . 1 1 40 40 ALA H H 1 0.738 0.015 . . . 40 A . . 40 A . 18864 6 33 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.830 0.016 . . . 41 K . . 41 K . 18864 6 34 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.823 0.017 . . . 42 E . . 42 E . 18864 6 35 . 1 1 43 43 LEU N N 15 . 1 1 43 43 LEU H H 1 0.783 0.024 . . . 43 L . . 43 L . 18864 6 36 . 1 1 44 44 SER N N 15 . 1 1 44 44 SER H H 1 0.806 0.011 . . . 44 S . . 44 S . 18864 6 37 . 1 1 45 45 ILE N N 15 . 1 1 45 45 ILE H H 1 0.886 0.032 . . . 45 I . . 45 I . 18864 6 38 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.848 0.025 . . . 46 D . . 46 D . 18864 6 39 . 1 1 47 47 GLY N N 15 . 1 1 47 47 GLY H H 1 0.760 0.068 . . . 47 G . . 47 G . 18864 6 40 . 1 1 48 48 GLY N N 15 . 1 1 48 48 GLY H H 1 0.590 0.024 . . . 48 G . . 48 G . 18864 6 41 . 1 1 49 49 SER N N 15 . 1 1 49 49 SER H H 1 0.806 0.044 . . . 49 S . . 49 S . 18864 6 42 . 1 1 50 50 ALA N N 15 . 1 1 50 50 ALA H H 1 0.825 0.026 . . . 50 A . . 50 A . 18864 6 43 . 1 1 51 51 LYS N N 15 . 1 1 51 51 LYS H H 1 0.768 0.025 . . . 51 K . . 51 K . 18864 6 44 . 1 1 52 52 ARG N N 15 . 1 1 52 52 ARG H H 1 0.760 0.027 . . . 52 R . . 52 R . 18864 6 45 . 1 1 53 53 ASP N N 15 . 1 1 53 53 ASP H H 1 0.737 0.027 . . . 53 D . . 53 D . 18864 6 46 . 1 1 54 54 GLY N N 15 . 1 1 54 54 GLY H H 1 0.800 0.024 . . . 54 G . . 54 G . 18864 6 47 . 1 1 55 55 SER N N 15 . 1 1 55 55 SER H H 1 0.852 0.023 . . . 55 S . . 55 S . 18864 6 48 . 1 1 56 56 LEU N N 15 . 1 1 56 56 LEU H H 1 0.790 0.031 . . . 56 L . . 56 L . 18864 6 49 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.839 0.024 . . . 57 G . . 57 G . 18864 6 50 . 1 1 58 58 TYR N N 15 . 1 1 58 58 TYR H H 1 0.876 0.022 . . . 58 Y . . 58 Y . 18864 6 51 . 1 1 59 59 PHE N N 15 . 1 1 59 59 PHE H H 1 0.846 0.023 . . . 59 F . . 59 F . 18864 6 52 . 1 1 60 60 GLY N N 15 . 1 1 60 60 GLY H H 1 0.847 0.027 . . . 60 G . . 60 G . 18864 6 53 . 1 1 61 61 ARG N N 15 . 1 1 61 61 ARG H H 1 0.765 0.019 . . . 61 R . . 61 R . 18864 6 54 . 1 1 62 62 GLY N N 15 . 1 1 62 62 GLY H H 1 0.848 0.036 . . . 62 G . . 62 G . 18864 6 55 . 1 1 63 63 LYS N N 15 . 1 1 63 63 LYS H H 1 0.780 0.021 . . . 63 K . . 63 K . 18864 6 56 . 1 1 64 64 MET N N 15 . 1 1 64 64 MET H H 1 0.821 0.016 . . . 64 M . . 64 M . 18864 6 57 . 1 1 65 65 VAL N N 15 . 1 1 65 65 VAL H H 1 0.755 0.023 . . . 65 V . . 65 V . 18864 6 58 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.818 0.023 . . . 66 K . . 66 K . 18864 6 59 . 1 1 68 68 PHE N N 15 . 1 1 68 68 PHE H H 1 0.853 0.025 . . . 68 F . . 68 F . 18864 6 60 . 1 1 69 69 GLU N N 15 . 1 1 69 69 GLU H H 1 0.836 0.026 . . . 69 E . . 69 E . 18864 6 61 . 1 1 70 70 ASP N N 15 . 1 1 70 70 ASP H H 1 0.838 0.017 . . . 70 D . . 70 D . 18864 6 62 . 1 1 71 71 ALA N N 15 . 1 1 71 71 ALA H H 1 0.810 0.017 . . . 71 A . . 71 A . 18864 6 63 . 1 1 72 72 ALA N N 15 . 1 1 72 72 ALA H H 1 0.845 0.017 . . . 72 A . . 72 A . 18864 6 64 . 1 1 73 73 PHE N N 15 . 1 1 73 73 PHE H H 1 0.806 0.011 . . . 73 F . . 73 F . 18864 6 65 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.798 0.022 . . . 74 R . . 74 R . 18864 6 66 . 1 1 75 75 LEU N N 15 . 1 1 75 75 LEU H H 1 0.806 0.023 . . . 75 L . . 75 L . 18864 6 67 . 1 1 76 76 GLN N N 15 . 1 1 76 76 GLN H H 1 0.854 0.026 . . . 76 Q . . 76 Q . 18864 6 68 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.882 0.014 . . . 77 V . . 77 V . 18864 6 69 . 1 1 78 78 GLY N N 15 . 1 1 78 78 GLY H H 1 0.821 0.016 . . . 78 G . . 78 G . 18864 6 70 . 1 1 79 79 GLU N N 15 . 1 1 79 79 GLU H H 1 0.858 0.019 . . . 79 E . . 79 E . 18864 6 71 . 1 1 80 80 VAL N N 15 . 1 1 80 80 VAL H H 1 0.713 0.017 . . . 80 V . . 80 V . 18864 6 72 . 1 1 81 81 SER N N 15 . 1 1 81 81 SER H H 1 0.827 0.025 . . . 81 S . . 81 S . 18864 6 73 . 1 1 82 82 GLU N N 15 . 1 1 82 82 GLU H H 1 0.772 0.021 . . . 82 E . . 82 E . 18864 6 74 . 1 1 84 84 VAL N N 15 . 1 1 84 84 VAL H H 1 0.809 0.033 . . . 84 V . . 84 V . 18864 6 75 . 1 1 85 85 LYS N N 15 . 1 1 85 85 LYS H H 1 0.785 0.019 . . . 85 K . . 85 K . 18864 6 76 . 1 1 86 86 SER N N 15 . 1 1 86 86 SER H H 1 0.815 0.030 . . . 86 S . . 86 S . 18864 6 77 . 1 1 87 87 GLU N N 15 . 1 1 87 87 GLU H H 1 0.775 0.034 . . . 87 E . . 87 E . 18864 6 78 . 1 1 88 88 PHE N N 15 . 1 1 88 88 PHE H H 1 0.817 0.025 . . . 88 F . . 88 F . 18864 6 79 . 1 1 89 89 GLY N N 15 . 1 1 89 89 GLY H H 1 0.834 0.021 . . . 89 G . . 89 G . 18864 6 80 . 1 1 90 90 TYR N N 15 . 1 1 90 90 TYR H H 1 0.826 0.026 . . . 90 Y . . 90 Y . 18864 6 81 . 1 1 91 91 HIS N N 15 . 1 1 91 91 HIS H H 1 0.870 0.030 . . . 91 H . . 91 H . 18864 6 82 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.857 0.027 . . . 92 V . . 92 V . 18864 6 83 . 1 1 93 93 ILE N N 15 . 1 1 93 93 ILE H H 1 0.816 0.034 . . . 93 I . . 93 I . 18864 6 84 . 1 1 94 94 LYS N N 15 . 1 1 94 94 LYS H H 1 0.844 0.025 . . . 94 K . . 94 K . 18864 6 85 . 1 1 95 95 ARG N N 15 . 1 1 95 95 ARG H H 1 0.851 0.028 . . . 95 R . . 95 R . 18864 6 86 . 1 1 96 96 LEU N N 15 . 1 1 96 96 LEU H H 1 0.817 0.036 . . . 96 L . . 96 L . 18864 6 87 . 1 1 97 97 GLY N N 15 . 1 1 97 97 GLY H H 1 0.833 0.023 . . . 97 G . . 97 G . 18864 6 stop_ save_