############################## # 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 26506 _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 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 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 2 '15N-{1H} NOE' . . . 26506 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 LYS N N 15 . 1 1 2 2 LYS H H 1 -1.094 0.034 . . . 2 K N . 2 K H 26506 1 2 . 1 1 3 3 ASP N N 15 . 1 1 3 3 ASP H H 1 -0.472 0.028 . . . 3 D N . 3 D H 26506 1 3 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 -0.148 0.069 . . . 4 V N . 4 V H 26506 1 4 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 0.08 0.113 . . . 5 E N . 5 E H 26506 1 5 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.339 0.038 . . . 6 Y N . 6 Y H 26506 1 6 . 1 1 7 7 ARG N N 15 . 1 1 7 7 ARG H H 1 0.7 0.022 . . . 7 R N . 7 R H 26506 1 7 . 1 1 9 9 LEU N N 15 . 1 1 9 9 LEU H H 1 0.793 0.02 . . . 9 L N . 9 L H 26506 1 8 . 1 1 10 10 THR N N 15 . 1 1 10 10 THR H H 1 0.838 0.019 . . . 10 T N . 10 T H 26506 1 9 . 1 1 11 11 LEU N N 15 . 1 1 11 11 LEU H H 1 0.899 0.021 . . . 11 L N . 11 L H 26506 1 10 . 1 1 12 12 ASN N N 15 . 1 1 12 12 ASN H H 1 0.865 0.02 . . . 12 N N . 12 N H 26506 1 11 . 1 1 13 13 ALA N N 15 . 1 1 13 13 ALA H H 1 0.93 0.025 . . . 13 A N . 13 A H 26506 1 12 . 1 1 14 14 LEU N N 15 . 1 1 14 14 LEU H H 1 0.891 0.02 . . . 14 L N . 14 L H 26506 1 13 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.729 0.021 . . . 15 L N . 15 L H 26506 1 14 . 1 1 16 16 ALA N N 15 . 1 1 16 16 ALA H H 1 0.824 0.023 . . . 16 A N . 16 A H 26506 1 15 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.64 0.022 . . . 17 V N . 17 V H 26506 1 16 . 1 1 18 18 GLY N N 15 . 1 1 18 18 GLY H H 1 0.421 0.032 . . . 18 G N . 18 G H 26506 1 17 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.306 0.091 . . . 20 G N . 20 G H 26506 1 18 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 0.394 0.033 . . . 21 A N . 21 A H 26506 1 19 . 1 1 22 22 GLY N N 15 . 1 1 22 22 GLY H H 1 0.259 0.06 . . . 22 G N . 22 G H 26506 1 20 . 1 1 23 23 GLU N N 15 . 1 1 23 23 GLU H H 1 0.298 0.041 . . . 23 E N . 23 E H 26506 1 21 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.273 0.039 . . . 24 A N . 24 A H 26506 1 22 . 1 1 25 25 GLN N N 15 . 1 1 25 25 GLN H H 1 0.295 0.034 . . . 25 Q N . 25 Q H 26506 1 23 . 1 1 26 26 GLY N N 15 . 1 1 26 26 GLY H H 1 0.562 0.02 . . . 26 G N . 26 G H 26506 1 24 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.864 0.028 . . . 27 V N . 27 V H 26506 1 25 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.902 0.019 . . . 29 V N . 29 V H 26506 1 26 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.785 0.021 . . . 30 K N . 30 K H 26506 1 27 . 1 1 31 31 VAL N N 15 . 1 1 31 31 VAL H H 1 0.849 0.023 . . . 31 V N . 31 V H 26506 1 28 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.849 0.02 . . . 32 L N . 32 L H 26506 1 29 . 1 1 33 33 ASP N N 15 . 1 1 33 33 ASP H H 1 0.864 0.023 . . . 33 D N . 33 D H 26506 1 30 . 1 1 34 34 CYS N N 15 . 1 1 34 34 CYS H H 1 0.862 0.025 . . . 34 C N . 34 C H 26506 1 31 . 1 1 36 36 THR N N 15 . 1 1 36 36 THR H H 1 0.904 0.03 . . . 36 T N . 36 T H 26506 1 32 . 1 1 37 37 ILE N N 15 . 1 1 37 37 ILE H H 1 0.868 0.066 . . . 37 I N . 37 I H 26506 1 33 . 1 1 39 39 GLN N N 15 . 1 1 39 39 GLN H H 1 0.908 0.029 . . . 39 Q N . 39 Q H 26506 1 34 . 1 1 40 40 ALA N N 15 . 1 1 40 40 ALA H H 1 0.91 0.025 . . . 40 A N . 40 A H 26506 1 35 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.845 0.026 . . . 41 K N . 41 K H 26506 1 36 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.842 0.023 . . . 42 E N . 42 E H 26506 1 37 . 1 1 43 43 LYS N N 15 . 1 1 43 43 LYS H H 1 0.907 0.026 . . . 43 K N . 43 K H 26506 1 38 . 1 1 44 44 MET N N 15 . 1 1 44 44 MET H H 1 0.887 0.023 . . . 44 M N . 44 M H 26506 1 39 . 1 1 45 45 LEU N N 15 . 1 1 45 45 LEU H H 1 0.923 0.024 . . . 45 L N . 45 L H 26506 1 40 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.866 0.027 . . . 46 D N . 46 D H 26506 1 41 . 1 1 47 47 GLN N N 15 . 1 1 47 47 GLN H H 1 0.851 0.025 . . . 47 Q N . 47 Q H 26506 1 42 . 1 1 48 48 LEU N N 15 . 1 1 48 48 LEU H H 1 0.853 0.027 . . . 48 L N . 48 L H 26506 1 43 . 1 1 49 49 TYR N N 15 . 1 1 49 49 TYR H H 1 0.857 0.023 . . . 49 Y N . 49 Y H 26506 1 44 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.793 0.02 . . . 50 K N . 50 K H 26506 1 45 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.681 0.049 . . . 51 G N . 51 G H 26506 1 46 . 1 1 52 52 VAL N N 15 . 1 1 52 52 VAL H H 1 0.746 0.023 . . . 52 V N . 52 V H 26506 1 47 . 1 1 54 54 LEU N N 15 . 1 1 54 54 LEU H H 1 0.658 0.027 . . . 54 L N . 54 L H 26506 1 48 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.65 0.042 . . . 55 T N . 55 T H 26506 1 49 . 1 1 56 56 GLN N N 15 . 1 1 56 56 GLN H H 1 0.71 0.022 . . . 56 Q N . 56 Q H 26506 1 50 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.654 0.025 . . . 57 R N . 57 R H 26506 1 51 . 1 1 61 61 ARG N N 15 . 1 1 61 61 ARG H H 1 0.815 0.023 . . . 61 R N . 61 R H 26506 1 52 . 1 1 62 62 THR N N 15 . 1 1 62 62 THR H H 1 0.772 0.038 . . . 62 T N . 62 T H 26506 1 53 . 1 1 63 63 LEU N N 15 . 1 1 63 63 LEU H H 1 0.881 0.024 . . . 63 L N . 63 L H 26506 1 54 . 1 1 64 64 ASP N N 15 . 1 1 64 64 ASP H H 1 0.876 0.021 . . . 64 D N . 64 D H 26506 1 55 . 1 1 65 65 VAL N N 15 . 1 1 65 65 VAL H H 1 0.882 0.032 . . . 65 V N . 65 V H 26506 1 56 . 1 1 66 66 GLU N N 15 . 1 1 66 66 GLU H H 1 0.953 0.024 . . . 66 E N . 66 E H 26506 1 57 . 1 1 67 67 TRP N N 15 . 1 1 67 67 TRP H H 1 0.879 0.023 . . . 67 W N . 67 W H 26506 1 58 . 1 1 68 68 ARG N N 15 . 1 1 68 68 ARG H H 1 0.862 0.019 . . . 68 R N . 68 R H 26506 1 59 . 1 1 69 69 SER N N 15 . 1 1 69 69 SER H H 1 0.689 0.024 . . . 69 S N . 69 S H 26506 1 60 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.723 0.117 . . . 70 G N . 70 G H 26506 1 61 . 1 1 71 71 VAL N N 15 . 1 1 71 71 VAL H H 1 0.412 0.049 . . . 71 V N . 71 V H 26506 1 62 . 1 1 72 72 ALA N N 15 . 1 1 72 72 ALA H H 1 0.491 0.041 . . . 72 A N . 72 A H 26506 1 63 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.568 0.03 . . . 73 G N . 73 G H 26506 1 64 . 1 1 74 74 HIS N N 15 . 1 1 74 74 HIS H H 1 0.642 0.026 . . . 74 H N . 74 H H 26506 1 65 . 1 1 75 75 LEU N N 15 . 1 1 75 75 LEU H H 1 0.847 0.02 . . . 75 L N . 75 L H 26506 1 66 . 1 1 76 76 ILE N N 15 . 1 1 76 76 ILE H H 1 0.818 0.019 . . . 76 I N . 76 I H 26506 1 67 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 0.936 0.027 . . . 77 L N . 77 L H 26506 1 68 . 1 1 78 78 SER N N 15 . 1 1 78 78 SER H H 1 0.796 0.024 . . . 78 S N . 78 S H 26506 1 69 . 1 1 79 79 ASP N N 15 . 1 1 79 79 ASP H H 1 0.817 0.031 . . . 79 D N . 79 D H 26506 1 70 . 1 1 80 80 GLU N N 15 . 1 1 80 80 GLU H H 1 0.842 0.076 . . . 80 E N . 80 E H 26506 1 71 . 1 1 81 81 ASP N N 15 . 1 1 81 81 ASP H H 1 0.756 0.043 . . . 81 D N . 81 D H 26506 1 72 . 1 1 83 83 THR N N 15 . 1 1 83 83 THR H H 1 0.679 0.103 . . . 83 T N . 83 T H 26506 1 73 . 1 1 96 96 LEU N N 15 . 1 1 96 96 LEU H H 1 0.909 0.032 . . . 96 L N . 96 L H 26506 1 74 . 1 1 97 97 GLN N N 15 . 1 1 97 97 GLN H H 1 0.885 0.022 . . . 97 Q N . 97 Q H 26506 1 75 . 1 1 98 98 HIS N N 15 . 1 1 98 98 HIS H H 1 0.802 0.031 . . . 98 H N . 98 H H 26506 1 76 . 1 1 99 99 TYR N N 15 . 1 1 99 99 TYR H H 1 0.931 0.03 . . . 99 Y N . 99 Y H 26506 1 77 . 1 1 100 100 LYS N N 15 . 1 1 100 100 LYS H H 1 0.871 0.023 . . . 100 K N . 100 K H 26506 1 78 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.906 0.02 . . . 101 V N . 101 V H 26506 1 79 . 1 1 103 103 ASP N N 15 . 1 1 103 103 ASP H H 1 0.947 0.017 . . . 103 D N . 103 D H 26506 1 80 . 1 1 104 104 GLY N N 15 . 1 1 104 104 GLY H H 1 0.854 0.024 . . . 104 G N . 104 G H 26506 1 81 . 1 1 105 105 ALA N N 15 . 1 1 105 105 ALA H H 1 0.935 0.019 . . . 105 A N . 105 A H 26506 1 82 . 1 1 106 106 THR N N 15 . 1 1 106 106 THR H H 1 0.828 0.02 . . . 106 T N . 106 T H 26506 1 83 . 1 1 107 107 VAL N N 15 . 1 1 107 107 VAL H H 1 0.856 0.025 . . . 107 V N . 107 V H 26506 1 84 . 1 1 108 108 ALA N N 15 . 1 1 108 108 ALA H H 1 0.918 0.023 . . . 108 A N . 108 A H 26506 1 85 . 1 1 109 109 LEU N N 15 . 1 1 109 109 LEU H H 1 0.886 0.022 . . . 109 L N . 109 L H 26506 1 86 . 1 1 110 110 VAL N N 15 . 1 1 110 110 VAL H H 1 0.912 0.027 . . . 110 V N . 110 V H 26506 1 87 . 1 1 112 112 CYS N N 15 . 1 1 112 112 CYS H H 1 0.813 0.018 . . . 112 C N . 112 C H 26506 1 88 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.535 0.03 . . . 113 L N . 113 L H 26506 1 89 . 1 1 114 114 THR N N 15 . 1 1 114 114 THR H H 1 0.426 0.032 . . . 114 T N . 114 T H 26506 1 90 . 1 1 115 115 LYS N N 15 . 1 1 115 115 LYS H H 1 0.293 0.057 . . . 115 K N . 115 K H 26506 1 91 . 1 1 116 116 HIS N N 15 . 1 1 116 116 HIS H H 1 0.1 0.388 . . . 116 H N . 116 H H 26506 1 92 . 1 1 117 117 VAL N N 15 . 1 1 117 117 VAL H H 1 0.177 0.068 . . . 117 V N . 117 V H 26506 1 93 . 1 1 118 118 LEU N N 15 . 1 1 118 118 LEU H H 1 -0.021 0.433 . . . 118 L N . 118 L H 26506 1 94 . 1 1 119 119 ARG N N 15 . 1 1 119 119 ARG H H 1 -0.196 0.051 . . . 119 R N . 119 R H 26506 1 95 . 1 1 120 120 GLU N N 15 . 1 1 120 120 GLU H H 1 -0.375 0.027 . . . 120 E N . 120 E H 26506 1 96 . 1 1 121 121 ASN N N 15 . 1 1 121 121 ASN H H 1 -0.82 0.022 . . . 121 N N . 121 N H 26506 1 97 . 1 1 122 122 LYS N N 15 . 1 1 122 122 LYS H H 1 -1.707 0.01 . . . 122 K N . 122 K H 26506 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 26506 _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 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 4 '15N-{1H} NOE' . . . 26506 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 LYS N N 15 . 1 1 2 2 LYS H H 1 -0.275 0.056 . . . 2 K N . 2 K H 26506 2 2 . 1 1 3 3 ASP N N 15 . 1 1 3 3 ASP H H 1 0.345 0.028 . . . 3 D N . 3 D H 26506 2 3 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 0.242 0.037 . . . 4 V N . 4 V H 26506 2 4 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 0.31 0.023 . . . 5 E N . 5 E H 26506 2 5 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.5 0.026 . . . 6 Y N . 6 Y H 26506 2 6 . 1 1 7 7 ARG N N 15 . 1 1 7 7 ARG H H 1 0.757 0.019 . . . 7 R N . 7 R H 26506 2 7 . 1 1 9 9 LEU N N 15 . 1 1 9 9 LEU H H 1 0.887 0.017 . . . 9 L N . 9 L H 26506 2 8 . 1 1 10 10 THR N N 15 . 1 1 10 10 THR H H 1 0.918 0.017 . . . 10 T N . 10 T H 26506 2 9 . 1 1 11 11 LEU N N 15 . 1 1 11 11 LEU H H 1 0.956 0.02 . . . 11 L N . 11 L H 26506 2 10 . 1 1 12 12 ASN N N 15 . 1 1 12 12 ASN H H 1 1.008 0.02 . . . 12 N N . 12 N H 26506 2 11 . 1 1 13 13 ALA N N 15 . 1 1 13 13 ALA H H 1 0.992 0.022 . . . 13 A N . 13 A H 26506 2 12 . 1 1 14 14 LEU N N 15 . 1 1 14 14 LEU H H 1 0.935 0.02 . . . 14 L N . 14 L H 26506 2 13 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.84 0.021 . . . 15 L N . 15 L H 26506 2 14 . 1 1 16 16 ALA N N 15 . 1 1 16 16 ALA H H 1 0.809 0.02 . . . 16 A N . 16 A H 26506 2 15 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.712 0.018 . . . 17 V N . 17 V H 26506 2 16 . 1 1 18 18 GLY N N 15 . 1 1 18 18 GLY H H 1 0.629 0.017 . . . 18 G N . 18 G H 26506 2 17 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.403 0.066 . . . 20 G N . 20 G H 26506 2 18 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 0.5 0.023 . . . 21 A N . 21 A H 26506 2 19 . 1 1 22 22 GLY N N 15 . 1 1 22 22 GLY H H 1 0.401 0.033 . . . 22 G N . 22 G H 26506 2 20 . 1 1 23 23 GLU N N 15 . 1 1 23 23 GLU H H 1 0.463 0.025 . . . 23 E N . 23 E H 26506 2 21 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.401 0.026 . . . 24 A N . 24 A H 26506 2 22 . 1 1 25 25 GLN N N 15 . 1 1 25 25 GLN H H 1 0.457 0.021 . . . 25 Q N . 25 Q H 26506 2 23 . 1 1 26 26 GLY N N 15 . 1 1 26 26 GLY H H 1 0.578 0.016 . . . 26 G N . 26 G H 26506 2 24 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.985 0.024 . . . 27 V N . 27 V H 26506 2 25 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.946 0.016 . . . 29 V N . 29 V H 26506 2 26 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.91 0.019 . . . 30 K N . 30 K H 26506 2 27 . 1 1 31 31 VAL N N 15 . 1 1 31 31 VAL H H 1 0.985 0.02 . . . 31 V N . 31 V H 26506 2 28 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.924 0.019 . . . 32 L N . 32 L H 26506 2 29 . 1 1 33 33 ASP N N 15 . 1 1 33 33 ASP H H 1 0.929 0.022 . . . 33 D N . 33 D H 26506 2 30 . 1 1 34 34 CYS N N 15 . 1 1 34 34 CYS H H 1 0.893 0.02 . . . 34 C N . 34 C H 26506 2 31 . 1 1 36 36 THR N N 15 . 1 1 36 36 THR H H 1 0.896 0.029 . . . 36 T N . 36 T H 26506 2 32 . 1 1 37 37 ILE N N 15 . 1 1 37 37 ILE H H 1 0.901 0.094 . . . 37 I N . 37 I H 26506 2 33 . 1 1 39 39 GLN N N 15 . 1 1 39 39 GLN H H 1 0.906 0.022 . . . 39 Q N . 39 Q H 26506 2 34 . 1 1 40 40 ALA N N 15 . 1 1 40 40 ALA H H 1 0.978 0.024 . . . 40 A N . 40 A H 26506 2 35 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.941 0.024 . . . 41 K N . 41 K H 26506 2 36 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.967 0.019 . . . 42 E N . 42 E H 26506 2 37 . 1 1 43 43 LYS N N 15 . 1 1 43 43 LYS H H 1 0.998 0.022 . . . 43 K N . 43 K H 26506 2 38 . 1 1 44 44 MET N N 15 . 1 1 44 44 MET H H 1 0.991 0.02 . . . 44 M N . 44 M H 26506 2 39 . 1 1 45 45 LEU N N 15 . 1 1 45 45 LEU H H 1 0.941 0.021 . . . 45 L N . 45 L H 26506 2 40 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.894 0.026 . . . 46 D N . 46 D H 26506 2 41 . 1 1 47 47 GLN N N 15 . 1 1 47 47 GLN H H 1 0.945 0.018 . . . 47 Q N . 47 Q H 26506 2 42 . 1 1 48 48 LEU N N 15 . 1 1 48 48 LEU H H 1 0.95 0.023 . . . 48 L N . 48 L H 26506 2 43 . 1 1 49 49 TYR N N 15 . 1 1 49 49 TYR H H 1 0.919 0.02 . . . 49 Y N . 49 Y H 26506 2 44 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.861 0.017 . . . 50 K N . 50 K H 26506 2 45 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.706 0.042 . . . 51 G N . 51 G H 26506 2 46 . 1 1 52 52 VAL N N 15 . 1 1 52 52 VAL H H 1 0.74 0.021 . . . 52 V N . 52 V H 26506 2 47 . 1 1 54 54 LEU N N 15 . 1 1 54 54 LEU H H 1 0.695 0.024 . . . 54 L N . 54 L H 26506 2 48 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.722 0.035 . . . 55 T N . 55 T H 26506 2 49 . 1 1 56 56 GLN N N 15 . 1 1 56 56 GLN H H 1 0.729 0.019 . . . 56 Q N . 56 Q H 26506 2 50 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.697 0.022 . . . 57 R N . 57 R H 26506 2 51 . 1 1 61 61 ARG N N 15 . 1 1 61 61 ARG H H 1 0.849 0.022 . . . 61 R N . 61 R H 26506 2 52 . 1 1 62 62 THR N N 15 . 1 1 62 62 THR H H 1 0.874 0.031 . . . 62 T N . 62 T H 26506 2 53 . 1 1 63 63 LEU N N 15 . 1 1 63 63 LEU H H 1 0.955 0.02 . . . 63 L N . 63 L H 26506 2 54 . 1 1 64 64 ASP N N 15 . 1 1 64 64 ASP H H 1 0.916 0.021 . . . 64 D N . 64 D H 26506 2 55 . 1 1 65 65 VAL N N 15 . 1 1 65 65 VAL H H 1 0.956 0.036 . . . 65 V N . 65 V H 26506 2 56 . 1 1 66 66 GLU N N 15 . 1 1 66 66 GLU H H 1 0.955 0.023 . . . 66 E N . 66 E H 26506 2 57 . 1 1 67 67 TRP N N 15 . 1 1 67 67 TRP H H 1 0.999 0.022 . . . 67 W N . 67 W H 26506 2 58 . 1 1 68 68 ARG N N 15 . 1 1 68 68 ARG H H 1 0.918 0.018 . . . 68 R N . 68 R H 26506 2 59 . 1 1 69 69 SER N N 15 . 1 1 69 69 SER H H 1 0.765 0.02 . . . 69 S N . 69 S H 26506 2 60 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.661 0.099 . . . 70 G N . 70 G H 26506 2 61 . 1 1 71 71 VAL N N 15 . 1 1 71 71 VAL H H 1 0.463 0.039 . . . 71 V N . 71 V H 26506 2 62 . 1 1 72 72 ALA N N 15 . 1 1 72 72 ALA H H 1 0.536 0.033 . . . 72 A N . 72 A H 26506 2 63 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.691 0.022 . . . 73 G N . 73 G H 26506 2 64 . 1 1 74 74 HIS N N 15 . 1 1 74 74 HIS H H 1 0.693 0.023 . . . 74 H N . 74 H H 26506 2 65 . 1 1 75 75 LEU N N 15 . 1 1 75 75 LEU H H 1 0.873 0.016 . . . 75 L N . 75 L H 26506 2 66 . 1 1 76 76 ILE N N 15 . 1 1 76 76 ILE H H 1 0.882 0.018 . . . 76 I N . 76 I H 26506 2 67 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 1.004 0.025 . . . 77 L N . 77 L H 26506 2 68 . 1 1 78 78 SER N N 15 . 1 1 78 78 SER H H 1 0.898 0.02 . . . 78 S N . 78 S H 26506 2 69 . 1 1 79 79 ASP N N 15 . 1 1 79 79 ASP H H 1 0.892 0.028 . . . 79 D N . 79 D H 26506 2 70 . 1 1 80 80 GLU N N 15 . 1 1 80 80 GLU H H 1 0.886 0.095 . . . 80 E N . 80 E H 26506 2 71 . 1 1 81 81 ASP N N 15 . 1 1 81 81 ASP H H 1 0.795 0.048 . . . 81 D N . 81 D H 26506 2 72 . 1 1 83 83 THR N N 15 . 1 1 83 83 THR H H 1 0.764 0.103 . . . 83 T N . 83 T H 26506 2 73 . 1 1 96 96 LEU N N 15 . 1 1 96 96 LEU H H 1 0.899 0.032 . . . 96 L N . 96 L H 26506 2 74 . 1 1 97 97 GLN N N 15 . 1 1 97 97 GLN H H 1 0.916 0.022 . . . 97 Q N . 97 Q H 26506 2 75 . 1 1 98 98 HIS N N 15 . 1 1 98 98 HIS H H 1 0.844 0.031 . . . 98 H N . 98 H H 26506 2 76 . 1 1 99 99 TYR N N 15 . 1 1 99 99 TYR H H 1 0.891 0.026 . . . 99 Y N . 99 Y H 26506 2 77 . 1 1 100 100 LYS N N 15 . 1 1 100 100 LYS H H 1 0.929 0.019 . . . 100 K N . 100 K H 26506 2 78 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.985 0.019 . . . 101 V N . 101 V H 26506 2 79 . 1 1 103 103 ASP N N 15 . 1 1 103 103 ASP H H 1 0.884 0.015 . . . 103 D N . 103 D H 26506 2 80 . 1 1 104 104 GLY N N 15 . 1 1 104 104 GLY H H 1 0.968 0.021 . . . 104 G N . 104 G H 26506 2 81 . 1 1 105 105 ALA N N 15 . 1 1 105 105 ALA H H 1 0.993 0.016 . . . 105 A N . 105 A H 26506 2 82 . 1 1 106 106 THR N N 15 . 1 1 106 106 THR H H 1 0.863 0.017 . . . 106 T N . 106 T H 26506 2 83 . 1 1 107 107 VAL N N 15 . 1 1 107 107 VAL H H 1 0.967 0.023 . . . 107 V N . 107 V H 26506 2 84 . 1 1 108 108 ALA N N 15 . 1 1 108 108 ALA H H 1 0.959 0.021 . . . 108 A N . 108 A H 26506 2 85 . 1 1 109 109 LEU N N 15 . 1 1 109 109 LEU H H 1 0.958 0.018 . . . 109 L N . 109 L H 26506 2 86 . 1 1 110 110 VAL N N 15 . 1 1 110 110 VAL H H 1 0.953 0.021 . . . 110 V N . 110 V H 26506 2 87 . 1 1 112 112 CYS N N 15 . 1 1 112 112 CYS H H 1 0.834 0.015 . . . 112 C N . 112 C H 26506 2 88 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.665 0.028 . . . 113 L N . 113 L H 26506 2 89 . 1 1 114 114 THR N N 15 . 1 1 114 114 THR H H 1 0.619 0.02 . . . 114 T N . 114 T H 26506 2 90 . 1 1 115 115 LYS N N 15 . 1 1 115 115 LYS H H 1 0.481 0.036 . . . 115 K N . 115 K H 26506 2 91 . 1 1 116 116 HIS N N 15 . 1 1 116 116 HIS H H 1 0.524 0.065 . . . 116 H N . 116 H H 26506 2 92 . 1 1 117 117 VAL N N 15 . 1 1 117 117 VAL H H 1 0.425 0.025 . . . 117 V N . 117 V H 26506 2 93 . 1 1 118 118 LEU N N 15 . 1 1 118 118 LEU H H 1 0.413 0.018 . . . 118 L N . 118 L H 26506 2 94 . 1 1 119 119 ARG N N 15 . 1 1 119 119 ARG H H 1 0.286 0.026 . . . 119 R N . 119 R H 26506 2 95 . 1 1 120 120 GLU N N 15 . 1 1 120 120 GLU H H 1 0.119 0.062 . . . 120 E N . 120 E H 26506 2 96 . 1 1 121 121 ASN N N 15 . 1 1 121 121 ASN H H 1 -0.182 0.048 . . . 121 N N . 121 N H 26506 2 97 . 1 1 122 122 LYS N N 15 . 1 1 122 122 LYS H H 1 -1.034 0.01 . . . 122 K N . 122 K H 26506 2 stop_ save_