############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_set_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_set_1 _Heteronucl_NOE_list.Entry_ID 5841 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_one _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'internal reference' _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 1 $sample_one . 5841 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 3 3 LEU N N 15 . 1 1 3 3 LEU H H 1 -0.318 0.002 . . . . . . . . . . 5841 1 2 . 1 1 4 4 GLY N N 15 . 1 1 4 4 GLY H H 1 -0.115 0.005 . . . . . . . . . . 5841 1 3 . 1 1 5 5 SER N N 15 . 1 1 5 5 SER H H 1 0.376 0.005 . . . . . . . . . . 5841 1 4 . 1 1 6 6 SER N N 15 . 1 1 6 6 SER H H 1 0.725 0.050 . . . . . . . . . . 5841 1 5 . 1 1 7 7 TRP N N 15 . 1 1 7 7 TRP H H 1 0.820 0.121 . . . . . . . . . . 5841 1 6 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.718 0.021 . . . . . . . . . . 5841 1 7 . 1 1 9 9 PHE N N 15 . 1 1 9 9 PHE H H 1 0.792 0.037 . . . . . . . . . . 5841 1 8 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.748 0.040 . . . . . . . . . . 5841 1 9 . 1 1 11 11 GLU N N 15 . 1 1 11 11 GLU H H 1 0.533 0.043 . . . . . . . . . . 5841 1 10 . 1 1 12 12 VAL N N 15 . 1 1 12 12 VAL H H 1 0.811 0.075 . . . . . . . . . . 5841 1 11 . 1 1 14 14 ALA N N 15 . 1 1 14 14 ALA H H 1 0.797 0.004 . . . . . . . . . . 5841 1 12 . 1 1 15 15 GLY N N 15 . 1 1 15 15 GLY H H 1 0.816 0.013 . . . . . . . . . . 5841 1 13 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.825 0.041 . . . . . . . . . . 5841 1 14 . 1 1 18 18 ILE N N 15 . 1 1 18 18 ILE H H 1 0.775 0.018 . . . . . . . . . . 5841 1 15 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 0.730 0.0003527 . . . . . . . . . . 5841 1 16 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.749 0.004 . . . . . . . . . . 5841 1 17 . 1 1 21 21 GLN N N 15 . 1 1 21 21 GLN H H 1 0.719 0.018 . . . . . . . . . . 5841 1 18 . 1 1 22 22 HIS N N 15 . 1 1 22 22 HIS H H 1 0.753 0.032 . . . . . . . . . . 5841 1 19 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.821 0.121 . . . . . . . . . . 5841 1 20 . 1 1 24 24 VAL N N 15 . 1 1 24 24 VAL H H 1 0.757 0.010 . . . . . . . . . . 5841 1 21 . 1 1 25 25 ASN N N 15 . 1 1 25 25 ASN H H 1 0.690 0.0006985 . . . . . . . . . . 5841 1 22 . 1 1 26 26 SER N N 15 . 1 1 26 26 SER H H 1 0.774 0.003 . . . . . . . . . . 5841 1 23 . 1 1 27 27 THR N N 15 . 1 1 27 27 THR H H 1 0.806 0.039 . . . . . . . . . . 5841 1 24 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.759 0.023 . . . . . . . . . . 5841 1 25 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 0.558 0.021 . . . . . . . . . . 5841 1 26 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.731 0.062 . . . . . . . . . . 5841 1 27 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.710 0.011 . . . . . . . . . . 5841 1 28 . 1 1 34 34 VAL N N 15 . 1 1 34 34 VAL H H 1 0.762 0.033 . . . . . . . . . . 5841 1 29 . 1 1 35 35 LYS N N 15 . 1 1 35 35 LYS H H 1 0.721 0.011 . . . . . . . . . . 5841 1 30 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.762 0.012 . . . . . . . . . . 5841 1 31 . 1 1 37 37 GLY N N 15 . 1 1 37 37 GLY H H 1 0.739 0.009 . . . . . . . . . . 5841 1 32 . 1 1 38 38 ARG N N 15 . 1 1 38 38 ARG H H 1 0.725 0.007 . . . . . . . . . . 5841 1 33 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.703 0.006 . . . . . . . . . . 5841 1 34 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.650 0.013 . . . . . . . . . . 5841 1 35 . 1 1 43 43 ASP N N 15 . 1 1 43 43 ASP H H 1 0.794 0.009 . . . . . . . . . . 5841 1 36 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.778 0.035 . . . . . . . . . . 5841 1 37 . 1 1 45 45 ALA N N 15 . 1 1 45 45 ALA H H 1 0.780 0.029 . . . . . . . . . . 5841 1 38 . 1 1 46 46 LEU N N 15 . 1 1 46 46 LEU H H 1 0.700 0.037 . . . . . . . . . . 5841 1 39 . 1 1 47 47 LYS N N 15 . 1 1 47 47 LYS H H 1 0.747 0.054 . . . . . . . . . . 5841 1 40 . 1 1 48 48 ASP N N 15 . 1 1 48 48 ASP H H 1 0.190 0.046 . . . . . . . . . . 5841 1 41 . 1 1 49 49 SER N N 15 . 1 1 49 49 SER H H 1 0.773 0.021 . . . . . . . . . . 5841 1 42 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.643 0.023 . . . . . . . . . . 5841 1 43 . 1 1 51 51 VAL N N 15 . 1 1 51 51 VAL H H 1 0.786 0.025 . . . . . . . . . . 5841 1 44 . 1 1 53 53 GLY N N 15 . 1 1 53 53 GLY H H 1 0.813 0.118 . . . . . . . . . . 5841 1 45 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.455 0.027 . . . . . . . . . . 5841 1 46 . 1 1 55 55 HIS N N 15 . 1 1 55 55 HIS H H 1 0.749 0.025 . . . . . . . . . . 5841 1 47 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.767 0.035 . . . . . . . . . . 5841 1 48 . 1 1 57 57 GLN N N 15 . 1 1 57 57 GLN H H 1 0.790 0.015 . . . . . . . . . . 5841 1 49 . 1 1 58 58 ILE N N 15 . 1 1 58 58 ILE H H 1 0.723 0.008 . . . . . . . . . . 5841 1 50 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 0.782 0.027 . . . . . . . . . . 5841 1 51 . 1 1 60 60 TRP N N 15 . 1 1 60 60 TRP H H 1 0.728 0.013 . . . . . . . . . . 5841 1 52 . 1 1 61 61 ASN N N 15 . 1 1 61 61 ASN H H 1 0.783 0.011 . . . . . . . . . . 5841 1 53 . 1 1 62 62 SER N N 15 . 1 1 62 62 SER H H 1 0.752 0.002 . . . . . . . . . . 5841 1 54 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.720 0.040 . . . . . . . . . . 5841 1 55 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.751 0.070 . . . . . . . . . . 5841 1 56 . 1 1 65 65 PHE N N 15 . 1 1 65 65 PHE H H 1 0.790 0.036 . . . . . . . . . . 5841 1 57 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.758 0.036 . . . . . . . . . . 5841 1 58 . 1 1 67 67 TRP N N 15 . 1 1 67 67 TRP H H 1 0.755 0.040 . . . . . . . . . . 5841 1 59 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.794 0.055 . . . . . . . . . . 5841 1 60 . 1 1 70 70 VAL N N 15 . 1 1 70 70 VAL H H 1 0.675 0.010 . . . . . . . . . . 5841 1 61 . 1 1 71 71 ASP N N 15 . 1 1 71 71 ASP H H 1 0.779 0.007 . . . . . . . . . . 5841 1 62 . 1 1 72 72 MET N N 15 . 1 1 72 72 MET H H 1 0.795 0.014 . . . . . . . . . . 5841 1 63 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.786 0.021 . . . . . . . . . . 5841 1 64 . 1 1 74 74 SER N N 15 . 1 1 74 74 SER H H 1 0.802 0.034 . . . . . . . . . . 5841 1 65 . 1 1 75 75 LEU N N 15 . 1 1 75 75 LEU H H 1 0.801 0.067 . . . . . . . . . . 5841 1 66 . 1 1 76 76 ASN N N 15 . 1 1 76 76 ASN H H 1 0.822 0.021 . . . . . . . . . . 5841 1 67 . 1 1 77 77 GLY N N 15 . 1 1 77 77 GLY H H 1 0.769 0.047 . . . . . . . . . . 5841 1 68 . 1 1 78 78 THR N N 15 . 1 1 78 78 THR H H 1 0.816 0.021 . . . . . . . . . . 5841 1 69 . 1 1 79 79 LEU N N 15 . 1 1 79 79 LEU H H 1 0.770 0.022 . . . . . . . . . . 5841 1 70 . 1 1 80 80 VAL N N 15 . 1 1 80 80 VAL H H 1 0.771 0.012 . . . . . . . . . . 5841 1 71 . 1 1 81 81 ASN N N 15 . 1 1 81 81 ASN H H 1 0.787 0.008 . . . . . . . . . . 5841 1 72 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.809 0.081 . . . . . . . . . . 5841 1 73 . 1 1 83 83 HIS N N 15 . 1 1 83 83 HIS H H 1 0.768 0.050 . . . . . . . . . . 5841 1 74 . 1 1 84 84 SER N N 15 . 1 1 84 84 SER H H 1 0.764 0.080 . . . . . . . . . . 5841 1 75 . 1 1 85 85 ILE N N 15 . 1 1 85 85 ILE H H 1 0.739 0.019 . . . . . . . . . . 5841 1 76 . 1 1 86 86 SER N N 15 . 1 1 86 86 SER H H 1 0.581 0.051 . . . . . . . . . . 5841 1 77 . 1 1 87 87 HIS N N 15 . 1 1 87 87 HIS H H 1 0.775 0.0006151 . . . . . . . . . . 5841 1 78 . 1 1 89 89 ASP N N 15 . 1 1 89 89 ASP H H 1 0.699 0.015 . . . . . . . . . . 5841 1 79 . 1 1 90 90 LEU N N 15 . 1 1 90 90 LEU H H 1 0.610 0.011 . . . . . . . . . . 5841 1 80 . 1 1 91 91 GLY N N 15 . 1 1 91 91 GLY H H 1 0.469 0.018 . . . . . . . . . . 5841 1 81 . 1 1 92 92 SER N N 15 . 1 1 92 92 SER H H 1 0.554 0.031 . . . . . . . . . . 5841 1 82 . 1 1 93 93 ARG N N 15 . 1 1 93 93 ARG H H 1 0.650 0.0005741 . . . . . . . . . . 5841 1 83 . 1 1 94 94 LYS N N 15 . 1 1 94 94 LYS H H 1 0.648 0.017 . . . . . . . . . . 5841 1 84 . 1 1 95 95 TRP N N 15 . 1 1 95 95 TRP H H 1 0.741 0.038 . . . . . . . . . . 5841 1 85 . 1 1 96 96 GLY N N 15 . 1 1 96 96 GLY H H 1 0.741 0.069 . . . . . . . . . . 5841 1 86 . 1 1 97 97 ASN N N 15 . 1 1 97 97 ASN H H 1 0.739 0.014 . . . . . . . . . . 5841 1 87 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 0.800 0.003 . . . . . . . . . . 5841 1 88 . 1 1 100 100 GLU N N 15 . 1 1 100 100 GLU H H 1 0.670 0.024 . . . . . . . . . . 5841 1 89 . 1 1 101 101 LEU N N 15 . 1 1 101 101 LEU H H 1 0.721 0.023 . . . . . . . . . . 5841 1 90 . 1 1 102 102 ALA N N 15 . 1 1 102 102 ALA H H 1 0.747 0.022 . . . . . . . . . . 5841 1 91 . 1 1 103 103 SER N N 15 . 1 1 103 103 SER H H 1 0.769 0.025 . . . . . . . . . . 5841 1 92 . 1 1 104 104 ASP N N 15 . 1 1 104 104 ASP H H 1 0.766 0.042 . . . . . . . . . . 5841 1 93 . 1 1 105 105 ASP N N 15 . 1 1 105 105 ASP H H 1 0.812 0.045 . . . . . . . . . . 5841 1 94 . 1 1 106 106 ILE N N 15 . 1 1 106 106 ILE H H 1 0.813 0.021 . . . . . . . . . . 5841 1 95 . 1 1 107 107 ILE N N 15 . 1 1 107 107 ILE H H 1 0.769 0.007 . . . . . . . . . . 5841 1 96 . 1 1 108 108 THR N N 15 . 1 1 108 108 THR H H 1 0.828 0.055 . . . . . . . . . . 5841 1 97 . 1 1 109 109 LEU N N 15 . 1 1 109 109 LEU H H 1 0.798 0.010 . . . . . . . . . . 5841 1 98 . 1 1 110 110 GLY N N 15 . 1 1 110 110 GLY H H 1 0.731 0.030 . . . . . . . . . . 5841 1 99 . 1 1 111 111 THR N N 15 . 1 1 111 111 THR H H 1 0.720 0.015 . . . . . . . . . . 5841 1 100 . 1 1 112 112 THR N N 15 . 1 1 112 112 THR H H 1 0.747 0.036 . . . . . . . . . . 5841 1 101 . 1 1 113 113 THR N N 15 . 1 1 113 113 THR H H 1 0.752 0.057 . . . . . . . . . . 5841 1 102 . 1 1 114 114 LYS N N 15 . 1 1 114 114 LYS H H 1 0.818 0.039 . . . . . . . . . . 5841 1 103 . 1 1 115 115 VAL N N 15 . 1 1 115 115 VAL H H 1 0.759 0.020 . . . . . . . . . . 5841 1 104 . 1 1 116 116 TYR N N 15 . 1 1 116 116 TYR H H 1 0.772 0.003 . . . . . . . . . . 5841 1 105 . 1 1 117 117 VAL N N 15 . 1 1 117 117 VAL H H 1 0.788 0.058 . . . . . . . . . . 5841 1 106 . 1 1 118 118 ARG N N 15 . 1 1 118 118 ARG H H 1 0.784 0.027 . . . . . . . . . . 5841 1 107 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.736 0.022 . . . . . . . . . . 5841 1 108 . 1 1 121 121 SER N N 15 . 1 1 121 121 SER H H 1 0.630 0.005 . . . . . . . . . . 5841 1 109 . 1 1 122 122 GLN N N 15 . 1 1 122 122 GLN H H 1 0.496 0.005 . . . . . . . . . . 5841 1 110 . 1 1 123 123 ASN N N 15 . 1 1 123 123 ASN H H 1 0.266 0.059 . . . . . . . . . . 5841 1 111 . 1 1 124 124 GLU N N 15 . 1 1 124 124 GLU H H 1 -0.276 0.012 . . . . . . . . . . 5841 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_set_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_set_2 _Heteronucl_NOE_list.Entry_ID 5841 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_one _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'internal reference' _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 1 $sample_one . 5841 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 5 5 SER N N 15 . 1 1 5 5 SER H H 1 0.499 0.004 . . . . . . . . . . 5841 2 2 . 1 1 6 6 SER N N 15 . 1 1 6 6 SER H H 1 0.764 0.008 . . . . . . . . . . 5841 2 3 . 1 1 7 7 TRP N N 15 . 1 1 7 7 TRP H H 1 0.881 0.013 . . . . . . . . . . 5841 2 4 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.806 0.027 . . . . . . . . . . 5841 2 5 . 1 1 9 9 PHE N N 15 . 1 1 9 9 PHE H H 1 0.852 0.006 . . . . . . . . . . 5841 2 6 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.791 0.042 . . . . . . . . . . 5841 2 7 . 1 1 11 11 GLU N N 15 . 1 1 11 11 GLU H H 1 0.777 0.038 . . . . . . . . . . 5841 2 8 . 1 1 12 12 VAL N N 15 . 1 1 12 12 VAL H H 1 0.796 0.011 . . . . . . . . . . 5841 2 9 . 1 1 14 14 ALA N N 15 . 1 1 14 14 ALA H H 1 0.750 0.005 . . . . . . . . . . 5841 2 10 . 1 1 15 15 GLY N N 15 . 1 1 15 15 GLY H H 1 0.789 0.015 . . . . . . . . . . 5841 2 11 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.805 0.028 . . . . . . . . . . 5841 2 12 . 1 1 18 18 ILE N N 15 . 1 1 18 18 ILE H H 1 0.751 0.015 . . . . . . . . . . 5841 2 13 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 0.778 0.041 . . . . . . . . . . 5841 2 14 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.780 0.038 . . . . . . . . . . 5841 2 15 . 1 1 21 21 GLN N N 15 . 1 1 21 21 GLN H H 1 0.730 0.032 . . . . . . . . . . 5841 2 16 . 1 1 22 22 HIS N N 15 . 1 1 22 22 HIS H H 1 0.831 0.010 . . . . . . . . . . 5841 2 17 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.838 0.025 . . . . . . . . . . 5841 2 18 . 1 1 25 25 ASN N N 15 . 1 1 25 25 ASN H H 1 0.744 0.006 . . . . . . . . . . 5841 2 19 . 1 1 27 27 THR N N 15 . 1 1 27 27 THR H H 1 0.804 0.034 . . . . . . . . . . 5841 2 20 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.795 0.018 . . . . . . . . . . 5841 2 21 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 0.616 0.025 . . . . . . . . . . 5841 2 22 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.800 0.003 . . . . . . . . . . 5841 2 23 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.782 0.019 . . . . . . . . . . 5841 2 24 . 1 1 34 34 VAL N N 15 . 1 1 34 34 VAL H H 1 0.782 0.022 . . . . . . . . . . 5841 2 25 . 1 1 35 35 LYS N N 15 . 1 1 35 35 LYS H H 1 0.723 0.008 . . . . . . . . . . 5841 2 26 . 1 1 37 37 GLY N N 15 . 1 1 37 37 GLY H H 1 0.840 0.045 . . . . . . . . . . 5841 2 27 . 1 1 38 38 ARG N N 15 . 1 1 38 38 ARG H H 1 0.720 0.024 . . . . . . . . . . 5841 2 28 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.768 0.021 . . . . . . . . . . 5841 2 29 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.570 0.037 . . . . . . . . . . 5841 2 30 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.758 0.023 . . . . . . . . . . 5841 2 31 . 1 1 45 45 ALA N N 15 . 1 1 45 45 ALA H H 1 0.808 0.008 . . . . . . . . . . 5841 2 32 . 1 1 46 46 LEU N N 15 . 1 1 46 46 LEU H H 1 0.803 0.031 . . . . . . . . . . 5841 2 33 . 1 1 47 47 LYS N N 15 . 1 1 47 47 LYS H H 1 0.809 0.025 . . . . . . . . . . 5841 2 34 . 1 1 48 48 ASP N N 15 . 1 1 48 48 ASP H H 1 0.277 0.007 . . . . . . . . . . 5841 2 35 . 1 1 51 51 VAL N N 15 . 1 1 51 51 VAL H H 1 0.703 0.024 . . . . . . . . . . 5841 2 36 . 1 1 53 53 GLY N N 15 . 1 1 53 53 GLY H H 1 0.826 0.056 . . . . . . . . . . 5841 2 37 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.648 0.041 . . . . . . . . . . 5841 2 38 . 1 1 55 55 HIS N N 15 . 1 1 55 55 HIS H H 1 0.832 0.018 . . . . . . . . . . 5841 2 39 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.851 0.016 . . . . . . . . . . 5841 2 40 . 1 1 57 57 GLN N N 15 . 1 1 57 57 GLN H H 1 0.849 0.024 . . . . . . . . . . 5841 2 41 . 1 1 58 58 ILE N N 15 . 1 1 58 58 ILE H H 1 0.810 0.018 . . . . . . . . . . 5841 2 42 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 0.800 0.013 . . . . . . . . . . 5841 2 43 . 1 1 60 60 TRP N N 15 . 1 1 60 60 TRP H H 1 0.743 0.013 . . . . . . . . . . 5841 2 44 . 1 1 62 62 SER N N 15 . 1 1 62 62 SER H H 1 0.729 0.010 . . . . . . . . . . 5841 2 45 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.691 0.014 . . . . . . . . . . 5841 2 46 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.748 0.018 . . . . . . . . . . 5841 2 47 . 1 1 65 65 PHE N N 15 . 1 1 65 65 PHE H H 1 0.849 0.019 . . . . . . . . . . 5841 2 48 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.776 0.020 . . . . . . . . . . 5841 2 49 . 1 1 67 67 TRP N N 15 . 1 1 67 67 TRP H H 1 0.794 0.009 . . . . . . . . . . 5841 2 50 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.827 0.016 . . . . . . . . . . 5841 2 51 . 1 1 69 69 LEU N N 15 . 1 1 69 69 LEU H H 1 0.781 0.018 . . . . . . . . . . 5841 2 52 . 1 1 70 70 VAL N N 15 . 1 1 70 70 VAL H H 1 0.772 0.013 . . . . . . . . . . 5841 2 53 . 1 1 71 71 ASP N N 15 . 1 1 71 71 ASP H H 1 0.825 0.065 . . . . . . . . . . 5841 2 54 . 1 1 75 75 LEU N N 15 . 1 1 75 75 LEU H H 1 0.789 0.031 . . . . . . . . . . 5841 2 55 . 1 1 76 76 ASN N N 15 . 1 1 76 76 ASN H H 1 0.795 0.041 . . . . . . . . . . 5841 2 56 . 1 1 77 77 GLY N N 15 . 1 1 77 77 GLY H H 1 0.856 0.008 . . . . . . . . . . 5841 2 57 . 1 1 78 78 THR N N 15 . 1 1 78 78 THR H H 1 0.735 0.023 . . . . . . . . . . 5841 2 58 . 1 1 79 79 LEU N N 15 . 1 1 79 79 LEU H H 1 0.802 0.016 . . . . . . . . . . 5841 2 59 . 1 1 80 80 VAL N N 15 . 1 1 80 80 VAL H H 1 0.800 0.023 . . . . . . . . . . 5841 2 60 . 1 1 81 81 ASN N N 15 . 1 1 81 81 ASN H H 1 0.792 0.006 . . . . . . . . . . 5841 2 61 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.854 0.026 . . . . . . . . . . 5841 2 62 . 1 1 83 83 HIS N N 15 . 1 1 83 83 HIS H H 1 0.586 0.170 . . . . . . . . . . 5841 2 63 . 1 1 84 84 SER N N 15 . 1 1 84 84 SER H H 1 0.788 0.116 . . . . . . . . . . 5841 2 64 . 1 1 85 85 ILE N N 15 . 1 1 85 85 ILE H H 1 0.778 0.017 . . . . . . . . . . 5841 2 65 . 1 1 86 86 SER N N 15 . 1 1 86 86 SER H H 1 0.766 0.002 . . . . . . . . . . 5841 2 66 . 1 1 87 87 HIS N N 15 . 1 1 87 87 HIS H H 1 0.814 0.018 . . . . . . . . . . 5841 2 67 . 1 1 89 89 ASP N N 15 . 1 1 89 89 ASP H H 1 0.695 0.013 . . . . . . . . . . 5841 2 68 . 1 1 90 90 LEU N N 15 . 1 1 90 90 LEU H H 1 0.694 0.066 . . . . . . . . . . 5841 2 69 . 1 1 91 91 GLY N N 15 . 1 1 91 91 GLY H H 1 0.523 0.045 . . . . . . . . . . 5841 2 70 . 1 1 92 92 SER N N 15 . 1 1 92 92 SER H H 1 0.769 0.006 . . . . . . . . . . 5841 2 71 . 1 1 93 93 ARG N N 15 . 1 1 93 93 ARG H H 1 0.781 0.064 . . . . . . . . . . 5841 2 72 . 1 1 94 94 LYS N N 15 . 1 1 94 94 LYS H H 1 0.749 0.011 . . . . . . . . . . 5841 2 73 . 1 1 95 95 TRP N N 15 . 1 1 95 95 TRP H H 1 0.757 0.013 . . . . . . . . . . 5841 2 74 . 1 1 96 96 GLY N N 15 . 1 1 96 96 GLY H H 1 0.812 0.025 . . . . . . . . . . 5841 2 75 . 1 1 97 97 ASN N N 15 . 1 1 97 97 ASN H H 1 0.789 0.015 . . . . . . . . . . 5841 2 76 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 0.808 0.018 . . . . . . . . . . 5841 2 77 . 1 1 100 100 GLU N N 15 . 1 1 100 100 GLU H H 1 0.725 0.007 . . . . . . . . . . 5841 2 78 . 1 1 101 101 LEU N N 15 . 1 1 101 101 LEU H H 1 0.783 0.013 . . . . . . . . . . 5841 2 79 . 1 1 102 102 ALA N N 15 . 1 1 102 102 ALA H H 1 0.805 0.009 . . . . . . . . . . 5841 2 80 . 1 1 103 103 SER N N 15 . 1 1 103 103 SER H H 1 0.739 0.011 . . . . . . . . . . 5841 2 81 . 1 1 104 104 ASP N N 15 . 1 1 104 104 ASP H H 1 0.775 0.051 . . . . . . . . . . 5841 2 82 . 1 1 105 105 ASP N N 15 . 1 1 105 105 ASP H H 1 0.765 0.013 . . . . . . . . . . 5841 2 83 . 1 1 106 106 ILE N N 15 . 1 1 106 106 ILE H H 1 0.804 0.014 . . . . . . . . . . 5841 2 84 . 1 1 107 107 ILE N N 15 . 1 1 107 107 ILE H H 1 0.857 0.027 . . . . . . . . . . 5841 2 85 . 1 1 108 108 THR N N 15 . 1 1 108 108 THR H H 1 0.830 0.036 . . . . . . . . . . 5841 2 86 . 1 1 110 110 GLY N N 15 . 1 1 110 110 GLY H H 1 0.826 0.024 . . . . . . . . . . 5841 2 87 . 1 1 111 111 THR N N 15 . 1 1 111 111 THR H H 1 0.743 0.005 . . . . . . . . . . 5841 2 88 . 1 1 112 112 THR N N 15 . 1 1 112 112 THR H H 1 0.763 0.037 . . . . . . . . . . 5841 2 89 . 1 1 113 113 THR N N 15 . 1 1 113 113 THR H H 1 0.769 0.010 . . . . . . . . . . 5841 2 90 . 1 1 114 114 LYS N N 15 . 1 1 114 114 LYS H H 1 0.804 0.024 . . . . . . . . . . 5841 2 91 . 1 1 115 115 VAL N N 15 . 1 1 115 115 VAL H H 1 0.780 0.023 . . . . . . . . . . 5841 2 92 . 1 1 116 116 TYR N N 15 . 1 1 116 116 TYR H H 1 0.708 0.015 . . . . . . . . . . 5841 2 93 . 1 1 117 117 VAL N N 15 . 1 1 117 117 VAL H H 1 0.779 0.012 . . . . . . . . . . 5841 2 94 . 1 1 118 118 ARG N N 15 . 1 1 118 118 ARG H H 1 0.788 0.011 . . . . . . . . . . 5841 2 95 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.768 0.030 . . . . . . . . . . 5841 2 96 . 1 1 121 121 SER N N 15 . 1 1 121 121 SER H H 1 0.675 0.046 . . . . . . . . . . 5841 2 97 . 1 1 122 122 GLN N N 15 . 1 1 122 122 GLN H H 1 0.541 0.014 . . . . . . . . . . 5841 2 98 . 1 1 123 123 ASN N N 15 . 1 1 123 123 ASN H H 1 0.336 0.026 . . . . . . . . . . 5841 2 stop_ save_