############################## # 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 19127 _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 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1.0 _Heteronucl_NOE_list.NOE_ref_description 'Not sure what this means.See below for explanation of how the hetNOE ratio calculated.' _Heteronucl_NOE_list.Details 'the reported hetNOEs are the ratio of peak heights in spectra collected with and without 1H saturation' _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 heteronuclear NOE' . . . 19127 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 GLU N N 15 . 1 1 3 3 GLU H H 1 0.583 0.048 . . . 3 GLU N . 3 GLU H 19127 1 2 . 1 1 4 4 ILE N N 15 . 1 1 4 4 ILE H H 1 0.553 0.024 . . . 4 ILE N . 4 ILE H 19127 1 3 . 1 1 5 5 ASN N N 15 . 1 1 5 5 ASN H H 1 0.513 0.044 . . . 5 ASN N . 5 ASN H 19127 1 4 . 1 1 6 6 ASN N N 15 . 1 1 6 6 ASN H H 1 0.776 0.056 . . . 6 ASN N . 6 ASN H 19127 1 5 . 1 1 7 7 GLN N N 15 . 1 1 7 7 GLN H H 1 0.750 0.028 . . . 7 GLN N . 7 GLN H 19127 1 6 . 1 1 8 8 ARG N N 15 . 1 1 8 8 ARG H H 1 0.778 0.060 . . . 8 ARG N . 8 ARG H 19127 1 7 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.798 0.038 . . . 9 LYS N . 9 LYS H 19127 1 8 . 1 1 10 10 ALA N N 15 . 1 1 10 10 ALA H H 1 0.819 0.026 . . . 10 ALA N . 10 ALA H 19127 1 9 . 1 1 11 11 PHE N N 15 . 1 1 11 11 PHE H H 1 0.788 0.036 . . . 11 PHE N . 11 PHE H 19127 1 10 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.821 0.042 . . . 12 LEU N . 12 LEU H 19127 1 11 . 1 1 14 14 MET N N 15 . 1 1 14 14 MET H H 1 0.783 0.034 . . . 14 MET N . 14 MET H 19127 1 12 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.671 0.030 . . . 15 LEU N . 15 LEU H 19127 1 13 . 1 1 16 16 ALA N N 15 . 1 1 16 16 ALA H H 1 0.784 0.028 . . . 16 ALA N . 16 ALA H 19127 1 14 . 1 1 17 17 TRP N N 15 . 1 1 17 17 TRP H H 1 0.770 0.034 . . . 17 TRP N . 17 TRP H 19127 1 15 . 1 1 18 18 SER N N 15 . 1 1 18 18 SER H H 1 0.769 0.034 . . . 18 SER N . 18 SER H 19127 1 16 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.828 0.046 . . . 19 GLU N . 19 GLU H 19127 1 17 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.825 0.034 . . . 20 GLY N . 20 GLY H 19127 1 18 . 1 1 21 21 THR N N 15 . 1 1 21 21 THR H H 1 0.813 0.036 . . . 21 THR N . 21 THR H 19127 1 19 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.825 0.036 . . . 22 ASP N . 22 ASP H 19127 1 20 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.810 0.034 . . . 24 GLY N . 24 GLY H 19127 1 21 . 1 1 25 25 ARG N N 15 . 1 1 25 25 ARG H H 1 0.798 0.032 . . . 25 ARG N . 25 ARG H 19127 1 22 . 1 1 26 26 GLN N N 15 . 1 1 26 26 GLN H H 1 0.756 0.034 . . . 26 GLN N . 26 GLN H 19127 1 23 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.810 0.030 . . . 27 LYS N . 27 LYS H 19127 1 24 . 1 1 28 28 THR N N 15 . 1 1 28 28 THR H H 1 0.738 0.022 . . . 28 THR N . 28 THR H 19127 1 25 . 1 1 29 29 ARG N N 15 . 1 1 29 29 ARG H H 1 0.814 0.062 . . . 29 ARG N . 29 ARG H 19127 1 26 . 1 1 30 30 ASN N N 15 . 1 1 30 30 ASN H H 1 0.792 0.036 . . . 30 ASN N . 30 ASN H 19127 1 27 . 1 1 31 31 HIS N N 15 . 1 1 31 31 HIS H H 1 0.779 0.030 . . . 31 HIS N . 31 HIS H 19127 1 28 . 1 1 32 32 GLY N N 15 . 1 1 32 32 GLY H H 1 0.799 0.050 . . . 32 GLY N . 32 GLY H 19127 1 29 . 1 1 35 35 VAL N N 15 . 1 1 35 35 VAL H H 1 0.843 0.034 . . . 35 VAL N . 35 VAL H 19127 1 30 . 1 1 36 36 ILE N N 15 . 1 1 36 36 ILE H H 1 0.793 0.056 . . . 36 ILE N . 36 ILE H 19127 1 31 . 1 1 37 37 VAL N N 15 . 1 1 37 37 VAL H H 1 0.791 0.040 . . . 37 VAL N . 37 VAL H 19127 1 32 . 1 1 39 39 GLY N N 15 . 1 1 39 39 GLY H H 1 0.810 0.032 . . . 39 GLY N . 39 GLY H 19127 1 33 . 1 1 40 40 GLU N N 15 . 1 1 40 40 GLU H H 1 0.790 0.024 . . . 40 GLU N . 40 GLU H 19127 1 34 . 1 1 42 42 PHE N N 15 . 1 1 42 42 PHE H H 1 0.780 0.046 . . . 42 PHE N . 42 PHE H 19127 1 35 . 1 1 43 43 THR N N 15 . 1 1 43 43 THR H H 1 0.803 0.046 . . . 43 THR N . 43 THR H 19127 1 36 . 1 1 44 44 ASP N N 15 . 1 1 44 44 ASP H H 1 0.776 0.036 . . . 44 ASP N . 44 ASP H 19127 1 37 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.811 0.038 . . . 45 TYR N . 45 TYR H 19127 1 38 . 1 1 46 46 SER N N 15 . 1 1 46 46 SER H H 1 0.821 0.024 . . . 46 SER N . 46 SER H 19127 1 39 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.832 0.018 . . . 47 ASP N . 47 ASP H 19127 1 40 . 1 1 48 48 HIS N N 15 . 1 1 48 48 HIS H H 1 0.714 0.042 . . . 48 HIS N . 48 HIS H 19127 1 41 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.835 0.106 . . . 50 ARG N . 50 ARG H 19127 1 42 . 1 1 51 51 LYS N N 15 . 1 1 51 51 LYS H H 1 0.754 0.034 . . . 51 LYS N . 51 LYS H 19127 1 43 . 1 1 52 52 LEU N N 15 . 1 1 52 52 LEU H H 1 0.696 0.042 . . . 52 LEU N . 52 LEU H 19127 1 44 . 1 1 53 53 VAL N N 15 . 1 1 53 53 VAL H H 1 0.839 0.104 . . . 53 VAL N . 53 VAL H 19127 1 45 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.668 0.058 . . . 55 LEU N . 55 LEU H 19127 1 46 . 1 1 58 58 LYS N N 15 . 1 1 58 58 LYS H H 1 0.516 0.026 . . . 58 LYS N . 58 LYS H 19127 1 47 . 1 1 59 59 LEU N N 15 . 1 1 59 59 LEU H H 1 0.466 0.020 . . . 59 LEU N . 59 LEU H 19127 1 48 . 1 1 60 60 LYS N N 15 . 1 1 60 60 LYS H H 1 0.621 0.032 . . . 60 LYS N . 60 LYS H 19127 1 49 . 1 1 62 62 THR N N 15 . 1 1 62 62 THR H H 1 0.809 0.056 . . . 62 THR N . 62 THR H 19127 1 50 . 1 1 63 63 GLY N N 15 . 1 1 63 63 GLY H H 1 0.792 0.044 . . . 63 GLY N . 63 GLY H 19127 1 51 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.774 0.054 . . . 65 GLY N . 65 GLY H 19127 1 52 . 1 1 66 66 ARG N N 15 . 1 1 66 66 ARG H H 1 0.819 0.068 . . . 66 ARG N . 66 ARG H 19127 1 53 . 1 1 67 67 TYR N N 15 . 1 1 67 67 TYR H H 1 0.777 0.048 . . . 67 TYR N . 67 TYR H 19127 1 54 . 1 1 69 69 LEU N N 15 . 1 1 69 69 LEU H H 1 0.771 0.044 . . . 69 LEU N . 69 LEU H 19127 1 55 . 1 1 70 70 LEU N N 15 . 1 1 70 70 LEU H H 1 0.866 0.060 . . . 70 LEU N . 70 LEU H 19127 1 56 . 1 1 71 71 SER N N 15 . 1 1 71 71 SER H H 1 0.800 0.046 . . . 71 SER N . 71 SER H 19127 1 57 . 1 1 72 72 ARG N N 15 . 1 1 72 72 ARG H H 1 0.764 0.026 . . . 72 ARG N . 72 ARG H 19127 1 58 . 1 1 73 73 TRP N N 15 . 1 1 73 73 TRP H H 1 0.761 0.032 . . . 73 TRP N . 73 TRP H 19127 1 59 . 1 1 74 74 TRP N N 15 . 1 1 74 74 TRP H H 1 0.794 0.036 . . . 74 TRP N . 74 TRP H 19127 1 60 . 1 1 75 75 ASP N N 15 . 1 1 75 75 ASP H H 1 0.788 0.026 . . . 75 ASP N . 75 ASP H 19127 1 61 . 1 1 76 76 ALA N N 15 . 1 1 76 76 ALA H H 1 0.756 0.022 . . . 76 ALA N . 76 ALA H 19127 1 62 . 1 1 77 77 TYR N N 15 . 1 1 77 77 TYR H H 1 0.740 0.028 . . . 77 TYR N . 77 TYR H 19127 1 63 . 1 1 78 78 ARG N N 15 . 1 1 78 78 ARG H H 1 0.800 0.026 . . . 78 ARG N . 78 ARG H 19127 1 64 . 1 1 79 79 LYS N N 15 . 1 1 79 79 LYS H H 1 0.750 0.026 . . . 79 LYS N . 79 LYS H 19127 1 65 . 1 1 81 81 LEU N N 15 . 1 1 81 81 LEU H H 1 0.732 0.036 . . . 81 LEU N . 81 LEU H 19127 1 66 . 1 1 82 82 GLY N N 15 . 1 1 82 82 GLY H H 1 0.780 0.028 . . . 82 GLY N . 82 GLY H 19127 1 67 . 1 1 83 83 LEU N N 15 . 1 1 83 83 LEU H H 1 0.804 0.034 . . . 83 LEU N . 83 LEU H 19127 1 68 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.768 0.044 . . . 84 LYS N . 84 LYS H 19127 1 69 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.708 0.020 . . . 85 ASP N . 85 ASP H 19127 1 70 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.792 0.032 . . . 87 SER N . 87 SER H 19127 1 71 . 1 1 89 89 LYS N N 15 . 1 1 89 89 LYS H H 1 0.758 0.022 . . . 89 LYS N . 89 LYS H 19127 1 72 . 1 1 90 90 SER N N 15 . 1 1 90 90 SER H H 1 0.794 0.032 . . . 90 SER N . 90 SER H 19127 1 73 . 1 1 91 91 GLN N N 15 . 1 1 91 91 GLN H H 1 0.782 0.038 . . . 91 GLN N . 91 GLN H 19127 1 74 . 1 1 92 92 ASP N N 15 . 1 1 92 92 ASP H H 1 0.794 0.032 . . . 92 ASP N . 92 ASP H 19127 1 75 . 1 1 93 93 ALA N N 15 . 1 1 93 93 ALA H H 1 0.811 0.026 . . . 93 ALA N . 93 ALA H 19127 1 76 . 1 1 95 95 ALA N N 15 . 1 1 95 95 ALA H H 1 0.817 0.030 . . . 95 ALA N . 95 ALA H 19127 1 77 . 1 1 96 96 LEU N N 15 . 1 1 96 96 LEU H H 1 0.801 0.036 . . . 96 LEU N . 96 LEU H 19127 1 78 . 1 1 97 97 GLN N N 15 . 1 1 97 97 GLN H H 1 0.814 0.034 . . . 97 GLN N . 97 GLN H 19127 1 79 . 1 1 98 98 GLN N N 15 . 1 1 98 98 GLN H H 1 0.764 0.042 . . . 98 GLN N . 98 GLN H 19127 1 80 . 1 1 99 99 ILE N N 15 . 1 1 99 99 ILE H H 1 0.681 0.044 . . . 99 ILE N . 99 ILE H 19127 1 81 . 1 1 101 101 GLU N N 15 . 1 1 101 101 GLU H H 1 0.811 0.036 . . . 101 GLU N . 101 GLU H 19127 1 82 . 1 1 102 102 ARG N N 15 . 1 1 102 102 ARG H H 1 0.758 0.028 . . . 102 ARG N . 102 ARG H 19127 1 83 . 1 1 103 103 GLY N N 15 . 1 1 103 103 GLY H H 1 0.820 0.034 . . . 103 GLY N . 103 GLY H 19127 1 84 . 1 1 104 104 ALA N N 15 . 1 1 104 104 ALA H H 1 0.853 0.036 . . . 104 ALA N . 104 ALA H 19127 1 85 . 1 1 105 105 LEU N N 15 . 1 1 105 105 LEU H H 1 0.778 0.034 . . . 105 LEU N . 105 LEU H 19127 1 86 . 1 1 107 107 MET N N 15 . 1 1 107 107 MET H H 1 0.814 0.032 . . . 107 MET N . 107 MET H 19127 1 87 . 1 1 108 108 ILE N N 15 . 1 1 108 108 ILE H H 1 0.804 0.048 . . . 108 ILE N . 108 ILE H 19127 1 88 . 1 1 109 109 ASP N N 15 . 1 1 109 109 ASP H H 1 0.774 0.028 . . . 109 ASP N . 109 ASP H 19127 1 89 . 1 1 110 110 ARG N N 15 . 1 1 110 110 ARG H H 1 0.808 0.032 . . . 110 ARG N . 110 ARG H 19127 1 90 . 1 1 112 112 ASP N N 15 . 1 1 112 112 ASP H H 1 0.770 0.034 . . . 112 ASP N . 112 ASP H 19127 1 91 . 1 1 113 113 ILE N N 15 . 1 1 113 113 ILE H H 1 0.782 0.040 . . . 113 ILE N . 113 ILE H 19127 1 92 . 1 1 115 115 GLN N N 15 . 1 1 115 115 GLN H H 1 0.786 0.030 . . . 115 GLN N . 115 GLN H 19127 1 93 . 1 1 116 116 ALA N N 15 . 1 1 116 116 ALA H H 1 0.801 0.030 . . . 116 ALA N . 116 ALA H 19127 1 94 . 1 1 117 117 ILE N N 15 . 1 1 117 117 ILE H H 1 0.793 0.040 . . . 117 ILE N . 117 ILE H 19127 1 95 . 1 1 118 118 ASP N N 15 . 1 1 118 118 ASP H H 1 0.801 0.030 . . . 118 ASP N . 118 ASP H 19127 1 96 . 1 1 119 119 ARG N N 15 . 1 1 119 119 ARG H H 1 0.748 0.036 . . . 119 ARG N . 119 ARG H 19127 1 97 . 1 1 120 120 CYS N N 15 . 1 1 120 120 CYS H H 1 0.750 0.036 . . . 120 CYS N . 120 CYS H 19127 1 98 . 1 1 121 121 SER N N 15 . 1 1 121 121 SER H H 1 0.771 0.028 . . . 121 SER N . 121 SER H 19127 1 99 . 1 1 122 122 ASN N N 15 . 1 1 122 122 ASN H H 1 0.692 0.026 . . . 122 ASN N . 122 ASN H 19127 1 100 . 1 1 124 124 TRP N N 15 . 1 1 124 124 TRP H H 1 0.756 0.048 . . . 124 TRP N . 124 TRP H 19127 1 101 . 1 1 126 126 SER N N 15 . 1 1 126 126 SER H H 1 0.772 0.036 . . . 126 SER N . 126 SER H 19127 1 102 . 1 1 127 127 LEU N N 15 . 1 1 127 127 LEU H H 1 0.787 0.032 . . . 127 LEU N . 127 LEU H 19127 1 103 . 1 1 129 129 GLY N N 15 . 1 1 129 129 GLY H H 1 0.645 0.084 . . . 129 GLY N . 129 GLY H 19127 1 104 . 1 1 130 130 ALA N N 15 . 1 1 130 130 ALA H H 1 0.655 0.032 . . . 130 ALA N . 130 ALA H 19127 1 105 . 1 1 131 131 GLY N N 15 . 1 1 131 131 GLY H H 1 0.544 0.032 . . . 131 GLY N . 131 GLY H 19127 1 106 . 1 1 132 132 TYR N N 15 . 1 1 132 132 TYR H H 1 0.578 0.022 . . . 132 TYR N . 132 TYR H 19127 1 107 . 1 1 133 133 GLY N N 15 . 1 1 133 133 GLY H H 1 0.504 0.022 . . . 133 GLY N . 133 GLY H 19127 1 108 . 1 1 134 134 GLN N N 15 . 1 1 134 134 GLN H H 1 0.550 0.028 . . . 134 GLN N . 134 GLN H 19127 1 109 . 1 1 135 135 PHE N N 15 . 1 1 135 135 PHE H H 1 0.553 0.018 . . . 135 PHE N . 135 PHE H 19127 1 110 . 1 1 137 137 HIS N N 15 . 1 1 137 137 HIS H H 1 0.671 0.040 . . . 137 HIS N . 137 HIS H 19127 1 111 . 1 1 138 138 LYS N N 15 . 1 1 138 138 LYS H H 1 0.674 0.038 . . . 138 LYS N . 138 LYS H 19127 1 112 . 1 1 140 140 ASP N N 15 . 1 1 140 140 ASP H H 1 0.804 0.050 . . . 140 ASP N . 140 ASP H 19127 1 113 . 1 1 141 141 SER N N 15 . 1 1 141 141 SER H H 1 0.776 0.038 . . . 141 SER N . 141 SER H 19127 1 114 . 1 1 142 142 LEU N N 15 . 1 1 142 142 LEU H H 1 0.774 0.036 . . . 142 LEU N . 142 LEU H 19127 1 115 . 1 1 144 144 ALA N N 15 . 1 1 144 144 ALA H H 1 0.829 0.024 . . . 144 ALA N . 144 ALA H 19127 1 116 . 1 1 145 145 LYS N N 15 . 1 1 145 145 LYS H H 1 0.825 0.030 . . . 145 LYS N . 145 LYS H 19127 1 117 . 1 1 146 146 PHE N N 15 . 1 1 146 146 PHE H H 1 0.763 0.032 . . . 146 PHE N . 146 PHE H 19127 1 118 . 1 1 147 147 LYS N N 15 . 1 1 147 147 LYS H H 1 0.804 0.036 . . . 147 LYS N . 147 LYS H 19127 1 119 . 1 1 148 148 GLU N N 15 . 1 1 148 148 GLU H H 1 0.779 0.026 . . . 148 GLU N . 148 GLU H 19127 1 120 . 1 1 149 149 ALA N N 15 . 1 1 149 149 ALA H H 1 0.796 0.026 . . . 149 ALA N . 149 ALA H 19127 1 121 . 1 1 151 151 GLY N N 15 . 1 1 151 151 GLY H H 1 0.802 0.032 . . . 151 GLY N . 151 GLY H 19127 1 122 . 1 1 152 152 THR N N 15 . 1 1 152 152 THR H H 1 0.819 0.048 . . . 152 THR N . 152 THR H 19127 1 123 . 1 1 153 153 VAL N N 15 . 1 1 153 153 VAL H H 1 0.782 0.034 . . . 153 VAL N . 153 VAL H 19127 1 124 . 1 1 154 154 ARG N N 15 . 1 1 154 154 ARG H H 1 0.718 0.036 . . . 154 ARG N . 154 ARG H 19127 1 125 . 1 1 155 155 GLU N N 15 . 1 1 155 155 GLU H H 1 0.405 0.140 . . . 155 GLU N . 155 GLU H 19127 1 126 . 1 1 156 156 ILE N N 15 . 1 1 156 156 ILE H H 1 0.050 0.100 . . . 156 ILE N . 156 ILE H 19127 1 127 . 1 1 157 157 ASP N N 15 . 1 1 157 157 ASP H H 1 -0.237 0.080 . . . 157 ASP N . 157 ASP H 19127 1 128 . 1 1 158 158 VAL N N 15 . 1 1 158 158 VAL H H 1 -0.844 0.100 . . . 158 VAL N . 158 VAL H 19127 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 19127 _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 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1.0 _Heteronucl_NOE_list.NOE_ref_description 'Not sure what this means.See below for explanation of how the hetNOE ratio calculated.' _Heteronucl_NOE_list.Details 'the reported hetNOEs are the ratio of peak heights in spectra collected with and without 1H saturation' _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 7 '2D {1H}-15N heteronuclear NOE' . . . 19127 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 GLU N N 15 . 1 1 3 3 GLU H H 1 0.646 0.040 . . . 3 GLU N . 3 GLU H 19127 2 2 . 1 1 4 4 ILE N N 15 . 1 1 4 4 ILE H H 1 0.646 0.020 . . . 4 ILE N . 4 ILE H 19127 2 3 . 1 1 5 5 ASN N N 15 . 1 1 5 5 ASN H H 1 0.568 0.052 . . . 5 ASN N . 5 ASN H 19127 2 4 . 1 1 6 6 ASN N N 15 . 1 1 6 6 ASN H H 1 0.863 0.052 . . . 6 ASN N . 6 ASN H 19127 2 5 . 1 1 7 7 GLN N N 15 . 1 1 7 7 GLN H H 1 0.837 0.024 . . . 7 GLN N . 7 GLN H 19127 2 6 . 1 1 8 8 ARG N N 15 . 1 1 8 8 ARG H H 1 0.842 0.046 . . . 8 ARG N . 8 ARG H 19127 2 7 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.843 0.034 . . . 9 LYS N . 9 LYS H 19127 2 8 . 1 1 10 10 ALA N N 15 . 1 1 10 10 ALA H H 1 0.836 0.022 . . . 10 ALA N . 10 ALA H 19127 2 9 . 1 1 11 11 PHE N N 15 . 1 1 11 11 PHE H H 1 0.919 0.032 . . . 11 PHE N . 11 PHE H 19127 2 10 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.860 0.028 . . . 12 LEU N . 12 LEU H 19127 2 11 . 1 1 14 14 MET N N 15 . 1 1 14 14 MET H H 1 0.863 0.032 . . . 14 MET N . 14 MET H 19127 2 12 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.796 0.030 . . . 15 LEU N . 15 LEU H 19127 2 13 . 1 1 16 16 ALA N N 15 . 1 1 16 16 ALA H H 1 0.842 0.026 . . . 16 ALA N . 16 ALA H 19127 2 14 . 1 1 17 17 TRP N N 15 . 1 1 17 17 TRP H H 1 0.874 0.028 . . . 17 TRP N . 17 TRP H 19127 2 15 . 1 1 18 18 SER N N 15 . 1 1 18 18 SER H H 1 0.857 0.040 . . . 18 SER N . 18 SER H 19127 2 16 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.867 0.046 . . . 19 GLU N . 19 GLU H 19127 2 17 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.908 0.034 . . . 20 GLY N . 20 GLY H 19127 2 18 . 1 1 21 21 THR N N 15 . 1 1 21 21 THR H H 1 0.863 0.032 . . . 21 THR N . 21 THR H 19127 2 19 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.839 0.026 . . . 22 ASP N . 22 ASP H 19127 2 20 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.839 0.036 . . . 24 GLY N . 24 GLY H 19127 2 21 . 1 1 25 25 ARG N N 15 . 1 1 25 25 ARG H H 1 0.795 0.024 . . . 25 ARG N . 25 ARG H 19127 2 22 . 1 1 26 26 GLN N N 15 . 1 1 26 26 GLN H H 1 0.798 0.028 . . . 26 GLN N . 26 GLN H 19127 2 23 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.811 0.032 . . . 27 LYS N . 27 LYS H 19127 2 24 . 1 1 28 28 THR N N 15 . 1 1 28 28 THR H H 1 0.799 0.018 . . . 28 THR N . 28 THR H 19127 2 25 . 1 1 29 29 ARG N N 15 . 1 1 29 29 ARG H H 1 0.853 0.066 . . . 29 ARG N . 29 ARG H 19127 2 26 . 1 1 30 30 ASN N N 15 . 1 1 30 30 ASN H H 1 0.850 0.032 . . . 30 ASN N . 30 ASN H 19127 2 27 . 1 1 31 31 HIS N N 15 . 1 1 31 31 HIS H H 1 0.844 0.032 . . . 31 HIS N . 31 HIS H 19127 2 28 . 1 1 32 32 GLY N N 15 . 1 1 32 32 GLY H H 1 0.844 0.058 . . . 32 GLY N . 32 GLY H 19127 2 29 . 1 1 35 35 VAL N N 15 . 1 1 35 35 VAL H H 1 0.861 0.028 . . . 35 VAL N . 35 VAL H 19127 2 30 . 1 1 36 36 ILE N N 15 . 1 1 36 36 ILE H H 1 0.821 0.060 . . . 36 ILE N . 36 ILE H 19127 2 31 . 1 1 37 37 VAL N N 15 . 1 1 37 37 VAL H H 1 0.834 0.034 . . . 37 VAL N . 37 VAL H 19127 2 32 . 1 1 39 39 GLY N N 15 . 1 1 39 39 GLY H H 1 0.833 0.032 . . . 39 GLY N . 39 GLY H 19127 2 33 . 1 1 40 40 GLU N N 15 . 1 1 40 40 GLU H H 1 0.854 0.022 . . . 40 GLU N . 40 GLU H 19127 2 34 . 1 1 42 42 PHE N N 15 . 1 1 42 42 PHE H H 1 0.849 0.038 . . . 42 PHE N . 42 PHE H 19127 2 35 . 1 1 43 43 THR N N 15 . 1 1 43 43 THR H H 1 0.850 0.046 . . . 43 THR N . 43 THR H 19127 2 36 . 1 1 44 44 ASP N N 15 . 1 1 44 44 ASP H H 1 0.806 0.030 . . . 44 ASP N . 44 ASP H 19127 2 37 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.823 0.032 . . . 45 TYR N . 45 TYR H 19127 2 38 . 1 1 46 46 SER N N 15 . 1 1 46 46 SER H H 1 0.876 0.026 . . . 46 SER N . 46 SER H 19127 2 39 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.879 0.016 . . . 47 ASP N . 47 ASP H 19127 2 40 . 1 1 48 48 HIS N N 15 . 1 1 48 48 HIS H H 1 0.892 0.058 . . . 48 HIS N . 48 HIS H 19127 2 41 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.807 0.126 . . . 50 ARG N . 50 ARG H 19127 2 42 . 1 1 51 51 LYS N N 15 . 1 1 51 51 LYS H H 1 0.792 0.030 . . . 51 LYS N . 51 LYS H 19127 2 43 . 1 1 52 52 LEU N N 15 . 1 1 52 52 LEU H H 1 0.724 0.046 . . . 52 LEU N . 52 LEU H 19127 2 44 . 1 1 53 53 VAL N N 15 . 1 1 53 53 VAL H H 1 0.777 0.202 . . . 53 VAL N . 53 VAL H 19127 2 45 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.606 0.068 . . . 55 LEU N . 55 LEU H 19127 2 46 . 1 1 58 58 LYS N N 15 . 1 1 58 58 LYS H H 1 0.525 0.022 . . . 58 LYS N . 58 LYS H 19127 2 47 . 1 1 59 59 LEU N N 15 . 1 1 59 59 LEU H H 1 0.539 0.016 . . . 59 LEU N . 59 LEU H 19127 2 48 . 1 1 60 60 LYS N N 15 . 1 1 60 60 LYS H H 1 0.667 0.028 . . . 60 LYS N . 60 LYS H 19127 2 49 . 1 1 62 62 THR N N 15 . 1 1 62 62 THR H H 1 0.815 0.048 . . . 62 THR N . 62 THR H 19127 2 50 . 1 1 63 63 GLY N N 15 . 1 1 63 63 GLY H H 1 0.826 0.040 . . . 63 GLY N . 63 GLY H 19127 2 51 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.832 0.056 . . . 65 GLY N . 65 GLY H 19127 2 52 . 1 1 66 66 ARG N N 15 . 1 1 66 66 ARG H H 1 0.823 0.054 . . . 66 ARG N . 66 ARG H 19127 2 53 . 1 1 67 67 TYR N N 15 . 1 1 67 67 TYR H H 1 0.829 0.040 . . . 67 TYR N . 67 TYR H 19127 2 54 . 1 1 69 69 LEU N N 15 . 1 1 69 69 LEU H H 1 0.837 0.032 . . . 69 LEU N . 69 LEU H 19127 2 55 . 1 1 70 70 LEU N N 15 . 1 1 70 70 LEU H H 1 0.838 0.062 . . . 70 LEU N . 70 LEU H 19127 2 56 . 1 1 71 71 SER N N 15 . 1 1 71 71 SER H H 1 0.804 0.044 . . . 71 SER N . 71 SER H 19127 2 57 . 1 1 72 72 ARG N N 15 . 1 1 72 72 ARG H H 1 0.861 0.022 . . . 72 ARG N . 72 ARG H 19127 2 58 . 1 1 73 73 TRP N N 15 . 1 1 73 73 TRP H H 1 0.818 0.026 . . . 73 TRP N . 73 TRP H 19127 2 59 . 1 1 74 74 TRP N N 15 . 1 1 74 74 TRP H H 1 0.838 0.032 . . . 74 TRP N . 74 TRP H 19127 2 60 . 1 1 75 75 ASP N N 15 . 1 1 75 75 ASP H H 1 0.826 0.024 . . . 75 ASP N . 75 ASP H 19127 2 61 . 1 1 76 76 ALA N N 15 . 1 1 76 76 ALA H H 1 0.837 0.020 . . . 76 ALA N . 76 ALA H 19127 2 62 . 1 1 77 77 TYR N N 15 . 1 1 77 77 TYR H H 1 0.810 0.026 . . . 77 TYR N . 77 TYR H 19127 2 63 . 1 1 78 78 ARG N N 15 . 1 1 78 78 ARG H H 1 0.855 0.028 . . . 78 ARG N . 78 ARG H 19127 2 64 . 1 1 79 79 LYS N N 15 . 1 1 79 79 LYS H H 1 0.782 0.022 . . . 79 LYS N . 79 LYS H 19127 2 65 . 1 1 81 81 LEU N N 15 . 1 1 81 81 LEU H H 1 0.801 0.030 . . . 81 LEU N . 81 LEU H 19127 2 66 . 1 1 82 82 GLY N N 15 . 1 1 82 82 GLY H H 1 0.841 0.028 . . . 82 GLY N . 82 GLY H 19127 2 67 . 1 1 83 83 LEU N N 15 . 1 1 83 83 LEU H H 1 0.816 0.024 . . . 83 LEU N . 83 LEU H 19127 2 68 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.750 0.040 . . . 84 LYS N . 84 LYS H 19127 2 69 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.729 0.016 . . . 85 ASP N . 85 ASP H 19127 2 70 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.842 0.030 . . . 87 SER N . 87 SER H 19127 2 71 . 1 1 89 89 LYS N N 15 . 1 1 89 89 LYS H H 1 0.832 0.022 . . . 89 LYS N . 89 LYS H 19127 2 72 . 1 1 90 90 SER N N 15 . 1 1 90 90 SER H H 1 0.858 0.024 . . . 90 SER N . 90 SER H 19127 2 73 . 1 1 91 91 GLN N N 15 . 1 1 91 91 GLN H H 1 0.877 0.036 . . . 91 GLN N . 91 GLN H 19127 2 74 . 1 1 92 92 ASP N N 15 . 1 1 92 92 ASP H H 1 0.844 0.030 . . . 92 ASP N . 92 ASP H 19127 2 75 . 1 1 93 93 ALA N N 15 . 1 1 93 93 ALA H H 1 0.848 0.022 . . . 93 ALA N . 93 ALA H 19127 2 76 . 1 1 95 95 ALA N N 15 . 1 1 95 95 ALA H H 1 0.869 0.024 . . . 95 ALA N . 95 ALA H 19127 2 77 . 1 1 96 96 LEU N N 15 . 1 1 96 96 LEU H H 1 0.858 0.032 . . . 96 LEU N . 96 LEU H 19127 2 78 . 1 1 97 97 GLN N N 15 . 1 1 97 97 GLN H H 1 0.866 0.028 . . . 97 GLN N . 97 GLN H 19127 2 79 . 1 1 98 98 GLN N N 15 . 1 1 98 98 GLN H H 1 0.833 0.034 . . . 98 GLN N . 98 GLN H 19127 2 80 . 1 1 99 99 ILE N N 15 . 1 1 99 99 ILE H H 1 0.872 0.042 . . . 99 ILE N . 99 ILE H 19127 2 81 . 1 1 101 101 GLU N N 15 . 1 1 101 101 GLU H H 1 0.856 0.034 . . . 101 GLU N . 101 GLU H 19127 2 82 . 1 1 102 102 ARG N N 15 . 1 1 102 102 ARG H H 1 0.831 0.024 . . . 102 ARG N . 102 ARG H 19127 2 83 . 1 1 103 103 GLY N N 15 . 1 1 103 103 GLY H H 1 0.835 0.032 . . . 103 GLY N . 103 GLY H 19127 2 84 . 1 1 104 104 ALA N N 15 . 1 1 104 104 ALA H H 1 0.832 0.028 . . . 104 ALA N . 104 ALA H 19127 2 85 . 1 1 105 105 LEU N N 15 . 1 1 105 105 LEU H H 1 0.838 0.032 . . . 105 LEU N . 105 LEU H 19127 2 86 . 1 1 107 107 MET N N 15 . 1 1 107 107 MET H H 1 0.815 0.028 . . . 107 MET N . 107 MET H 19127 2 87 . 1 1 108 108 ILE N N 15 . 1 1 108 108 ILE H H 1 0.858 0.038 . . . 108 ILE N . 108 ILE H 19127 2 88 . 1 1 109 109 ASP N N 15 . 1 1 109 109 ASP H H 1 0.874 0.030 . . . 109 ASP N . 109 ASP H 19127 2 89 . 1 1 110 110 ARG N N 15 . 1 1 110 110 ARG H H 1 0.817 0.026 . . . 110 ARG N . 110 ARG H 19127 2 90 . 1 1 112 112 ASP N N 15 . 1 1 112 112 ASP H H 1 0.843 0.036 . . . 112 ASP N . 112 ASP H 19127 2 91 . 1 1 113 113 ILE N N 15 . 1 1 113 113 ILE H H 1 0.848 0.034 . . . 113 ILE N . 113 ILE H 19127 2 92 . 1 1 115 115 GLN N N 15 . 1 1 115 115 GLN H H 1 0.853 0.032 . . . 115 GLN N . 115 GLN H 19127 2 93 . 1 1 116 116 ALA N N 15 . 1 1 116 116 ALA H H 1 0.829 0.022 . . . 116 ALA N . 116 ALA H 19127 2 94 . 1 1 117 117 ILE N N 15 . 1 1 117 117 ILE H H 1 0.864 0.042 . . . 117 ILE N . 117 ILE H 19127 2 95 . 1 1 118 118 ASP N N 15 . 1 1 118 118 ASP H H 1 0.845 0.028 . . . 118 ASP N . 118 ASP H 19127 2 96 . 1 1 119 119 ARG N N 15 . 1 1 119 119 ARG H H 1 0.854 0.040 . . . 119 ARG N . 119 ARG H 19127 2 97 . 1 1 120 120 CYS N N 15 . 1 1 120 120 CYS H H 1 0.824 0.032 . . . 120 CYS N . 120 CYS H 19127 2 98 . 1 1 121 121 SER N N 15 . 1 1 121 121 SER H H 1 0.855 0.028 . . . 121 SER N . 121 SER H 19127 2 99 . 1 1 122 122 ASN N N 15 . 1 1 122 122 ASN H H 1 0.765 0.026 . . . 122 ASN N . 122 ASN H 19127 2 100 . 1 1 124 124 TRP N N 15 . 1 1 124 124 TRP H H 1 0.780 0.046 . . . 124 TRP N . 124 TRP H 19127 2 101 . 1 1 126 126 SER N N 15 . 1 1 126 126 SER H H 1 0.834 0.038 . . . 126 SER N . 126 SER H 19127 2 102 . 1 1 127 127 LEU N N 15 . 1 1 127 127 LEU H H 1 0.846 0.030 . . . 127 LEU N . 127 LEU H 19127 2 103 . 1 1 129 129 GLY N N 15 . 1 1 129 129 GLY H H 1 0.659 0.158 . . . 129 GLY N . 129 GLY H 19127 2 104 . 1 1 130 130 ALA N N 15 . 1 1 130 130 ALA H H 1 0.710 0.050 . . . 130 ALA N . 130 ALA H 19127 2 105 . 1 1 131 131 GLY N N 15 . 1 1 131 131 GLY H H 1 0.638 0.048 . . . 131 GLY N . 131 GLY H 19127 2 106 . 1 1 132 132 TYR N N 15 . 1 1 132 132 TYR H H 1 0.625 0.018 . . . 132 TYR N . 132 TYR H 19127 2 107 . 1 1 133 133 GLY N N 15 . 1 1 133 133 GLY H H 1 0.591 0.024 . . . 133 GLY N . 133 GLY H 19127 2 108 . 1 1 134 134 GLN N N 15 . 1 1 134 134 GLN H H 1 0.621 0.028 . . . 134 GLN N . 134 GLN H 19127 2 109 . 1 1 135 135 PHE N N 15 . 1 1 135 135 PHE H H 1 0.623 0.016 . . . 135 PHE N . 135 PHE H 19127 2 110 . 1 1 137 137 HIS N N 15 . 1 1 137 137 HIS H H 1 0.770 0.048 . . . 137 HIS N . 137 HIS H 19127 2 111 . 1 1 138 138 LYS N N 15 . 1 1 138 138 LYS H H 1 0.712 0.048 . . . 138 LYS N . 138 LYS H 19127 2 112 . 1 1 140 140 ASP N N 15 . 1 1 140 140 ASP H H 1 0.745 0.090 . . . 140 ASP N . 140 ASP H 19127 2 113 . 1 1 141 141 SER N N 15 . 1 1 141 141 SER H H 1 0.843 0.046 . . . 141 SER N . 141 SER H 19127 2 114 . 1 1 142 142 LEU N N 15 . 1 1 142 142 LEU H H 1 0.788 0.034 . . . 142 LEU N . 142 LEU H 19127 2 115 . 1 1 144 144 ALA N N 15 . 1 1 144 144 ALA H H 1 0.842 0.022 . . . 144 ALA N . 144 ALA H 19127 2 116 . 1 1 145 145 LYS N N 15 . 1 1 145 145 LYS H H 1 0.859 0.024 . . . 145 LYS N . 145 LYS H 19127 2 117 . 1 1 146 146 PHE N N 15 . 1 1 146 146 PHE H H 1 0.863 0.032 . . . 146 PHE N . 146 PHE H 19127 2 118 . 1 1 147 147 LYS N N 15 . 1 1 147 147 LYS H H 1 0.830 0.034 . . . 147 LYS N . 147 LYS H 19127 2 119 . 1 1 148 148 GLU N N 15 . 1 1 148 148 GLU H H 1 0.827 0.026 . . . 148 GLU N . 148 GLU H 19127 2 120 . 1 1 149 149 ALA N N 15 . 1 1 149 149 ALA H H 1 0.813 0.022 . . . 149 ALA N . 149 ALA H 19127 2 121 . 1 1 151 151 GLY N N 15 . 1 1 151 151 GLY H H 1 0.870 0.030 . . . 151 GLY N . 151 GLY H 19127 2 122 . 1 1 152 152 THR N N 15 . 1 1 152 152 THR H H 1 0.810 0.038 . . . 152 THR N . 152 THR H 19127 2 123 . 1 1 153 153 VAL N N 15 . 1 1 153 153 VAL H H 1 0.800 0.034 . . . 153 VAL N . 153 VAL H 19127 2 124 . 1 1 154 154 ARG N N 15 . 1 1 154 154 ARG H H 1 0.766 0.038 . . . 154 ARG N . 154 ARG H 19127 2 125 . 1 1 155 155 GLU N N 15 . 1 1 155 155 GLU H H 1 0.496 0.120 . . . 155 GLU N . 155 GLU H 19127 2 126 . 1 1 156 156 ILE N N 15 . 1 1 156 156 ILE H H 1 0.350 0.060 . . . 156 ILE N . 156 ILE H 19127 2 127 . 1 1 157 157 ASP N N 15 . 1 1 157 157 ASP H H 1 0.111 0.060 . . . 157 ASP N . 157 ASP H 19127 2 128 . 1 1 158 158 VAL N N 15 . 1 1 158 158 VAL H H 1 -0.313 0.040 . . . 158 VAL N . 158 VAL H 19127 2 stop_ save_