############################## # 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 27656 _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 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details ; Residues 5, 7, 15, 19, 22, 44, 56, 70, 75, 77, 86, 88, 95, 106, 115, 120, 125, 130, 135, and 145 should be excluded or used with caution due to resonance overlap. ; _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 3 '2D heteronuclear NOE' . . . 27656 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $SPARKY . . 27656 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 GLN N N 15 . 1 1 3 3 GLN H H 1 0.441 0.020 . . . . . . . . . . 27656 1 2 . 1 1 4 4 LEU N N 15 . 1 1 4 4 LEU H H 1 0.560 0.024 . . . . . . . . . . 27656 1 3 . 1 1 5 5 ALA N N 15 . 1 1 5 5 ALA H H 1 0.737 0.030 . . . . . . . . . . 27656 1 4 . 1 1 6 6 LYS N N 15 . 1 1 6 6 LYS H H 1 0.638 0.031 . . . . . . . . . . 27656 1 5 . 1 1 7 7 ASP N N 15 . 1 1 7 7 ASP H H 1 0.784 0.030 . . . . . . . . . . 27656 1 6 . 1 1 8 8 ILE N N 15 . 1 1 8 8 ILE H H 1 0.804 0.022 . . . . . . . . . . 27656 1 7 . 1 1 9 9 ASN N N 15 . 1 1 9 9 ASN H H 1 0.751 0.027 . . . . . . . . . . 27656 1 8 . 1 1 10 10 ALA N N 15 . 1 1 10 10 ALA H H 1 0.717 0.025 . . . . . . . . . . 27656 1 9 . 1 1 11 11 PHE N N 15 . 1 1 11 11 PHE H H 1 0.825 0.020 . . . . . . . . . . 27656 1 10 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.780 0.021 . . . . . . . . . . 27656 1 11 . 1 1 13 13 ASN N N 15 . 1 1 13 13 ASN H H 1 0.688 0.022 . . . . . . . . . . 27656 1 12 . 1 1 14 14 GLU N N 15 . 1 1 14 14 GLU H H 1 0.848 0.020 . . . . . . . . . . 27656 1 13 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.846 0.012 . . . . . . . . . . 27656 1 14 . 1 1 16 16 ILE N N 15 . 1 1 16 16 ILE H H 1 0.804 0.027 . . . . . . . . . . 27656 1 15 . 1 1 17 17 LEU N N 15 . 1 1 17 17 LEU H H 1 0.831 0.030 . . . . . . . . . . 27656 1 16 . 1 1 18 18 GLN N N 15 . 1 1 18 18 GLN H H 1 0.748 0.032 . . . . . . . . . . 27656 1 17 . 1 1 19 19 ALA N N 15 . 1 1 19 19 ALA H H 1 0.706 0.030 . . . . . . . . . . 27656 1 18 . 1 1 20 20 GLU N N 15 . 1 1 20 20 GLU H H 1 0.750 0.037 . . . . . . . . . . 27656 1 19 . 1 1 22 22 GLN N N 15 . 1 1 22 22 GLN H H 1 0.749 0.030 . . . . . . . . . . 27656 1 20 . 1 1 23 23 HIS N N 15 . 1 1 23 23 HIS H H 1 0.473 0.118 . . . . . . . . . . 27656 1 21 . 1 1 24 24 GLU N N 15 . 1 1 24 24 GLU H H 1 0.450 0.024 . . . . . . . . . . 27656 1 22 . 1 1 25 25 ILE N N 15 . 1 1 25 25 ILE H H 1 0.457 0.038 . . . . . . . . . . 27656 1 23 . 1 1 26 26 LEU N N 15 . 1 1 26 26 LEU H H 1 0.487 0.035 . . . . . . . . . . 27656 1 24 . 1 1 27 27 ILE N N 15 . 1 1 27 27 ILE H H 1 0.460 0.025 . . . . . . . . . . 27656 1 25 . 1 1 28 28 GLY N N 15 . 1 1 28 28 GLY H H 1 0.426 0.027 . . . . . . . . . . 27656 1 26 . 1 1 29 29 HIS N N 15 . 1 1 29 29 HIS H H 1 0.418 0.016 . . . . . . . . . . 27656 1 27 . 1 1 30 30 CYS N N 15 . 1 1 30 30 CYS H H 1 0.306 0.024 . . . . . . . . . . 27656 1 28 . 1 1 31 31 THR N N 15 . 1 1 31 31 THR H H 1 0.331 0.034 . . . . . . . . . . 27656 1 29 . 1 1 32 32 SER N N 15 . 1 1 32 32 SER H H 1 0.370 0.017 . . . . . . . . . . 27656 1 30 . 1 1 33 33 GLU N N 15 . 1 1 33 33 GLU H H 1 0.364 0.012 . . . . . . . . . . 27656 1 31 . 1 1 34 34 VAL N N 15 . 1 1 34 34 VAL H H 1 0.467 0.012 . . . . . . . . . . 27656 1 32 . 1 1 35 35 ALA N N 15 . 1 1 35 35 ALA H H 1 0.459 0.023 . . . . . . . . . . 27656 1 33 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.477 0.014 . . . . . . . . . . 27656 1 34 . 1 1 41 41 GLU N N 15 . 1 1 41 41 GLU H H 1 0.699 0.033 . . . . . . . . . . 27656 1 35 . 1 1 42 42 HIS N N 15 . 1 1 42 42 HIS H H 1 0.665 0.041 . . . . . . . . . . 27656 1 36 . 1 1 43 43 ILE N N 15 . 1 1 43 43 ILE H H 1 0.863 0.025 . . . . . . . . . . 27656 1 37 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.846 0.030 . . . . . . . . . . 27656 1 38 . 1 1 45 45 MET N N 15 . 1 1 45 45 MET H H 1 0.943 0.016 . . . . . . . . . . 27656 1 39 . 1 1 46 46 LEU N N 15 . 1 1 46 46 LEU H H 1 0.858 0.022 . . . . . . . . . . 27656 1 40 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 0.703 0.024 . . . . . . . . . . 27656 1 41 . 1 1 48 48 SER N N 15 . 1 1 48 48 SER H H 1 0.640 0.019 . . . . . . . . . . 27656 1 42 . 1 1 49 49 GLU N N 15 . 1 1 49 49 GLU H H 1 0.447 0.018 . . . . . . . . . . 27656 1 43 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.654 0.016 . . . . . . . . . . 27656 1 44 . 1 1 51 51 SER N N 15 . 1 1 51 51 SER H H 1 0.394 0.019 . . . . . . . . . . 27656 1 45 . 1 1 52 52 LEU N N 15 . 1 1 52 52 LEU H H 1 0.753 0.011 . . . . . . . . . . 27656 1 46 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.725 0.016 . . . . . . . . . . 27656 1 47 . 1 1 54 54 ASN N N 15 . 1 1 54 54 ASN H H 1 0.607 0.016 . . . . . . . . . . 27656 1 48 . 1 1 55 55 SER N N 15 . 1 1 55 55 SER H H 1 0.617 0.015 . . . . . . . . . . 27656 1 49 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.729 0.030 . . . . . . . . . . 27656 1 50 . 1 1 57 57 MET N N 15 . 1 1 57 57 MET H H 1 0.817 0.017 . . . . . . . . . . 27656 1 51 . 1 1 58 58 ALA N N 15 . 1 1 58 58 ALA H H 1 0.788 0.018 . . . . . . . . . . 27656 1 52 . 1 1 59 59 ARG N N 15 . 1 1 59 59 ARG H H 1 0.793 0.018 . . . . . . . . . . 27656 1 53 . 1 1 60 60 ARG N N 15 . 1 1 60 60 ARG H H 1 0.726 0.015 . . . . . . . . . . 27656 1 54 . 1 1 61 61 LEU N N 15 . 1 1 61 61 LEU H H 1 0.905 0.017 . . . . . . . . . . 27656 1 55 . 1 1 62 62 ASN N N 15 . 1 1 62 62 ASN H H 1 0.780 0.020 . . . . . . . . . . 27656 1 56 . 1 1 63 63 VAL N N 15 . 1 1 63 63 VAL H H 1 0.953 0.020 . . . . . . . . . . 27656 1 57 . 1 1 64 64 SER N N 15 . 1 1 64 64 SER H H 1 0.597 0.019 . . . . . . . . . . 27656 1 58 . 1 1 65 65 GLN N N 15 . 1 1 65 65 GLN H H 1 0.620 0.016 . . . . . . . . . . 27656 1 59 . 1 1 66 66 ALA N N 15 . 1 1 66 66 ALA H H 1 0.552 0.014 . . . . . . . . . . 27656 1 60 . 1 1 67 67 ALA N N 15 . 1 1 67 67 ALA H H 1 0.701 0.019 . . . . . . . . . . 27656 1 61 . 1 1 68 68 VAL N N 15 . 1 1 68 68 VAL H H 1 0.723 0.017 . . . . . . . . . . 27656 1 62 . 1 1 69 69 THR N N 15 . 1 1 69 69 THR H H 1 0.715 0.030 . . . . . . . . . . 27656 1 63 . 1 1 70 70 LYS N N 15 . 1 1 70 70 LYS H H 1 0.794 0.030 . . . . . . . . . . 27656 1 64 . 1 1 71 71 ALA N N 15 . 1 1 71 71 ALA H H 1 0.773 0.017 . . . . . . . . . . 27656 1 65 . 1 1 72 72 ILE N N 15 . 1 1 72 72 ILE H H 1 0.739 0.037 . . . . . . . . . . 27656 1 66 . 1 1 73 73 LYS N N 15 . 1 1 73 73 LYS H H 1 0.772 0.017 . . . . . . . . . . 27656 1 67 . 1 1 74 74 SER N N 15 . 1 1 74 74 SER H H 1 0.639 0.020 . . . . . . . . . . 27656 1 68 . 1 1 75 75 LEU N N 15 . 1 1 75 75 LEU H H 1 0.738 0.030 . . . . . . . . . . 27656 1 69 . 1 1 76 76 VAL N N 15 . 1 1 76 76 VAL H H 1 0.954 0.023 . . . . . . . . . . 27656 1 70 . 1 1 77 77 LYS N N 15 . 1 1 77 77 LYS H H 1 0.863 0.030 . . . . . . . . . . 27656 1 71 . 1 1 78 78 GLU N N 15 . 1 1 78 78 GLU H H 1 0.789 0.018 . . . . . . . . . . 27656 1 72 . 1 1 79 79 GLY N N 15 . 1 1 79 79 GLY H H 1 0.787 0.018 . . . . . . . . . . 27656 1 73 . 1 1 80 80 MET N N 15 . 1 1 80 80 MET H H 1 0.741 0.021 . . . . . . . . . . 27656 1 74 . 1 1 81 81 LEU N N 15 . 1 1 81 81 LEU H H 1 0.877 0.020 . . . . . . . . . . 27656 1 75 . 1 1 82 82 GLU N N 15 . 1 1 82 82 GLU H H 1 0.916 0.022 . . . . . . . . . . 27656 1 76 . 1 1 83 83 THR N N 15 . 1 1 83 83 THR H H 1 0.652 0.018 . . . . . . . . . . 27656 1 77 . 1 1 84 84 SER N N 15 . 1 1 84 84 SER H H 1 0.657 0.011 . . . . . . . . . . 27656 1 78 . 1 1 85 85 LYS N N 15 . 1 1 85 85 LYS H H 1 0.402 0.012 . . . . . . . . . . 27656 1 79 . 1 1 86 86 ASP N N 15 . 1 1 86 86 ASP H H 1 0.529 0.030 . . . . . . . . . . 27656 1 80 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.325 0.018 . . . . . . . . . . 27656 1 81 . 1 1 88 88 LYS N N 15 . 1 1 88 88 LYS H H 1 0.286 0.030 . . . . . . . . . . 27656 1 82 . 1 1 89 89 ASP N N 15 . 1 1 89 89 ASP H H 1 0.302 0.013 . . . . . . . . . . 27656 1 83 . 1 1 90 90 ALA N N 15 . 1 1 90 90 ALA H H 1 0.338 0.008 . . . . . . . . . . 27656 1 84 . 1 1 91 91 ARG N N 15 . 1 1 91 91 ARG H H 1 0.355 0.008 . . . . . . . . . . 27656 1 85 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.396 0.010 . . . . . . . . . . 27656 1 86 . 1 1 93 93 ILE N N 15 . 1 1 93 93 ILE H H 1 0.499 0.010 . . . . . . . . . . 27656 1 87 . 1 1 94 94 PHE N N 15 . 1 1 94 94 PHE H H 1 0.618 0.015 . . . . . . . . . . 27656 1 88 . 1 1 95 95 TYR N N 15 . 1 1 95 95 TYR H H 1 0.790 0.030 . . . . . . . . . . 27656 1 89 . 1 1 96 96 GLN N N 15 . 1 1 96 96 GLN H H 1 0.792 0.012 . . . . . . . . . . 27656 1 90 . 1 1 97 97 LEU N N 15 . 1 1 97 97 LEU H H 1 0.651 0.018 . . . . . . . . . . 27656 1 91 . 1 1 98 98 THR N N 15 . 1 1 98 98 THR H H 1 0.674 0.013 . . . . . . . . . . 27656 1 92 . 1 1 99 99 ASP N N 15 . 1 1 99 99 ASP H H 1 0.679 0.017 . . . . . . . . . . 27656 1 93 . 1 1 100 100 LEU N N 15 . 1 1 100 100 LEU H H 1 0.720 0.012 . . . . . . . . . . 27656 1 94 . 1 1 101 101 ALA N N 15 . 1 1 101 101 ALA H H 1 0.642 0.016 . . . . . . . . . . 27656 1 95 . 1 1 102 102 ARG N N 15 . 1 1 102 102 ARG H H 1 0.829 0.017 . . . . . . . . . . 27656 1 96 . 1 1 104 104 ILE N N 15 . 1 1 104 104 ILE H H 1 0.959 0.019 . . . . . . . . . . 27656 1 97 . 1 1 105 105 ALA N N 15 . 1 1 105 105 ALA H H 1 0.775 0.038 . . . . . . . . . . 27656 1 98 . 1 1 106 106 GLU N N 15 . 1 1 106 106 GLU H H 1 0.798 0.030 . . . . . . . . . . 27656 1 99 . 1 1 107 107 GLU N N 15 . 1 1 107 107 GLU H H 1 0.808 0.016 . . . . . . . . . . 27656 1 100 . 1 1 108 108 HIS N N 15 . 1 1 108 108 HIS H H 1 0.640 0.019 . . . . . . . . . . 27656 1 101 . 1 1 109 109 HIS N N 15 . 1 1 109 109 HIS H H 1 0.653 0.020 . . . . . . . . . . 27656 1 102 . 1 1 110 110 HIS N N 15 . 1 1 110 110 HIS H H 1 0.666 0.030 . . . . . . . . . . 27656 1 103 . 1 1 111 111 HIS N N 15 . 1 1 111 111 HIS H H 1 0.582 0.019 . . . . . . . . . . 27656 1 104 . 1 1 112 112 HIS N N 15 . 1 1 112 112 HIS H H 1 0.592 0.023 . . . . . . . . . . 27656 1 105 . 1 1 113 113 GLU N N 15 . 1 1 113 113 GLU H H 1 0.701 0.022 . . . . . . . . . . 27656 1 106 . 1 1 114 114 HIS N N 15 . 1 1 114 114 HIS H H 1 0.715 0.020 . . . . . . . . . . 27656 1 107 . 1 1 115 115 THR N N 15 . 1 1 115 115 THR H H 1 0.719 0.030 . . . . . . . . . . 27656 1 108 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.690 0.016 . . . . . . . . . . 27656 1 109 . 1 1 117 117 LEU N N 15 . 1 1 117 117 LEU H H 1 0.604 0.026 . . . . . . . . . . 27656 1 110 . 1 1 118 118 THR N N 15 . 1 1 118 118 THR H H 1 0.624 0.031 . . . . . . . . . . 27656 1 111 . 1 1 119 119 TYR N N 15 . 1 1 119 119 TYR H H 1 0.759 0.038 . . . . . . . . . . 27656 1 112 . 1 1 120 120 GLU N N 15 . 1 1 120 120 GLU H H 1 0.450 0.030 . . . . . . . . . . 27656 1 113 . 1 1 121 121 GLN N N 15 . 1 1 121 121 GLN H H 1 0.816 0.049 . . . . . . . . . . 27656 1 114 . 1 1 122 122 VAL N N 15 . 1 1 122 122 VAL H H 1 0.889 0.026 . . . . . . . . . . 27656 1 115 . 1 1 123 123 ALA N N 15 . 1 1 123 123 ALA H H 1 0.721 0.037 . . . . . . . . . . 27656 1 116 . 1 1 124 124 THR N N 15 . 1 1 124 124 THR H H 1 0.850 0.023 . . . . . . . . . . 27656 1 117 . 1 1 125 125 GLN N N 15 . 1 1 125 125 GLN H H 1 0.731 0.030 . . . . . . . . . . 27656 1 118 . 1 1 126 126 PHE N N 15 . 1 1 126 126 PHE H H 1 0.815 0.018 . . . . . . . . . . 27656 1 119 . 1 1 127 127 THR N N 15 . 1 1 127 127 THR H H 1 0.682 0.020 . . . . . . . . . . 27656 1 120 . 1 1 129 129 ASN N N 15 . 1 1 129 129 ASN H H 1 0.829 0.018 . . . . . . . . . . 27656 1 121 . 1 1 130 130 GLU N N 15 . 1 1 130 130 GLU H H 1 0.766 0.030 . . . . . . . . . . 27656 1 122 . 1 1 131 131 GLN N N 15 . 1 1 131 131 GLN H H 1 0.821 0.017 . . . . . . . . . . 27656 1 123 . 1 1 132 132 LYS N N 15 . 1 1 132 132 LYS H H 1 0.743 0.020 . . . . . . . . . . 27656 1 124 . 1 1 133 133 VAL N N 15 . 1 1 133 133 VAL H H 1 0.788 0.017 . . . . . . . . . . 27656 1 125 . 1 1 134 134 ILE N N 15 . 1 1 134 134 ILE H H 1 0.837 0.016 . . . . . . . . . . 27656 1 126 . 1 1 135 135 GLN N N 15 . 1 1 135 135 GLN H H 1 0.787 0.030 . . . . . . . . . . 27656 1 127 . 1 1 136 136 ARG N N 15 . 1 1 136 136 ARG H H 1 0.909 0.016 . . . . . . . . . . 27656 1 128 . 1 1 137 137 PHE N N 15 . 1 1 137 137 PHE H H 1 0.847 0.021 . . . . . . . . . . 27656 1 129 . 1 1 138 138 LEU N N 15 . 1 1 138 138 LEU H H 1 0.809 0.020 . . . . . . . . . . 27656 1 130 . 1 1 139 139 THR N N 15 . 1 1 139 139 THR H H 1 0.791 0.018 . . . . . . . . . . 27656 1 131 . 1 1 140 140 ALA N N 15 . 1 1 140 140 ALA H H 1 0.881 0.022 . . . . . . . . . . 27656 1 132 . 1 1 141 141 LEU N N 15 . 1 1 141 141 LEU H H 1 0.776 0.021 . . . . . . . . . . 27656 1 133 . 1 1 142 142 VAL N N 15 . 1 1 142 142 VAL H H 1 0.697 0.029 . . . . . . . . . . 27656 1 134 . 1 1 143 143 GLY N N 15 . 1 1 143 143 GLY H H 1 0.795 0.069 . . . . . . . . . . 27656 1 135 . 1 1 144 144 GLU N N 15 . 1 1 144 144 GLU H H 1 0.687 0.022 . . . . . . . . . . 27656 1 136 . 1 1 145 145 ILE N N 15 . 1 1 145 145 ILE H H 1 0.603 0.030 . . . . . . . . . . 27656 1 137 . 1 1 146 146 LYS N N 15 . 1 1 146 146 LYS H H 1 0.474 0.026 . . . . . . . . . . 27656 1 stop_ save_