############################## # 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 27655 _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 12, 19, 20, 29, 41, 45, 58, 75, 80, 86, 87, 95, 130, 135, 137, 138, and 141 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' . . . 27655 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 . . 27655 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 0.524 0.014 . . . . . . . . . . 27655 1 2 . 1 1 4 4 LEU N N 15 . 1 1 4 4 LEU H H 1 0.627 0.022 . . . . . . . . . . 27655 1 3 . 1 1 5 5 ALA N N 15 . 1 1 5 5 ALA H H 1 0.770 0.025 . . . . . . . . . . 27655 1 4 . 1 1 6 6 LYS N N 15 . 1 1 6 6 LYS H H 1 0.632 0.023 . . . . . . . . . . 27655 1 5 . 1 1 7 7 ASP N N 15 . 1 1 7 7 ASP H H 1 0.573 0.02 . . . . . . . . . . 27655 1 6 . 1 1 8 8 ILE N N 15 . 1 1 8 8 ILE H H 1 0.850 0.022 . . . . . . . . . . 27655 1 7 . 1 1 9 9 ASN N N 15 . 1 1 9 9 ASN H H 1 0.683 0.021 . . . . . . . . . . 27655 1 8 . 1 1 10 10 ALA N N 15 . 1 1 10 10 ALA H H 1 0.737 0.016 . . . . . . . . . . 27655 1 9 . 1 1 11 11 PHE N N 15 . 1 1 11 11 PHE H H 1 0.885 0.029 . . . . . . . . . . 27655 1 10 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.607 0.01 . . . . . . . . . . 27655 1 11 . 1 1 13 13 ASN N N 15 . 1 1 13 13 ASN H H 1 0.821 0.023 . . . . . . . . . . 27655 1 12 . 1 1 14 14 GLU N N 15 . 1 1 14 14 GLU H H 1 0.831 0.024 . . . . . . . . . . 27655 1 13 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.810 0.022 . . . . . . . . . . 27655 1 14 . 1 1 16 16 ILE N N 15 . 1 1 16 16 ILE H H 1 0.838 0.029 . . . . . . . . . . 27655 1 15 . 1 1 17 17 LEU N N 15 . 1 1 17 17 LEU H H 1 0.896 0.025 . . . . . . . . . . 27655 1 16 . 1 1 18 18 GLN N N 15 . 1 1 18 18 GLN H H 1 0.720 0.022 . . . . . . . . . . 27655 1 17 . 1 1 19 19 ALA N N 15 . 1 1 19 19 ALA H H 1 0.567 0.023 . . . . . . . . . . 27655 1 18 . 1 1 20 20 GLU N N 15 . 1 1 20 20 GLU H H 1 0.679 0.026 . . . . . . . . . . 27655 1 19 . 1 1 21 21 ASN N N 15 . 1 1 21 21 ASN H H 1 0.633 0.019 . . . . . . . . . . 27655 1 20 . 1 1 22 22 GLN N N 15 . 1 1 22 22 GLN H H 1 0.583 0.019 . . . . . . . . . . 27655 1 21 . 1 1 23 23 HIS N N 15 . 1 1 23 23 HIS H H 1 0.609 0.029 . . . . . . . . . . 27655 1 22 . 1 1 24 24 GLU N N 15 . 1 1 24 24 GLU H H 1 0.570 0.019 . . . . . . . . . . 27655 1 23 . 1 1 25 25 ILE N N 15 . 1 1 25 25 ILE H H 1 0.834 0.013 . . . . . . . . . . 27655 1 24 . 1 1 26 26 LEU N N 15 . 1 1 26 26 LEU H H 1 0.713 0.016 . . . . . . . . . . 27655 1 25 . 1 1 27 27 ILE N N 15 . 1 1 27 27 ILE H H 1 0.756 0.017 . . . . . . . . . . 27655 1 26 . 1 1 28 28 GLY N N 15 . 1 1 28 28 GLY H H 1 0.644 0.016 . . . . . . . . . . 27655 1 27 . 1 1 29 29 HIS N N 15 . 1 1 29 29 HIS H H 1 0.492 0.009 . . . . . . . . . . 27655 1 28 . 1 1 30 30 CYS N N 15 . 1 1 30 30 CYS H H 1 0.451 0.014 . . . . . . . . . . 27655 1 29 . 1 1 31 31 THR N N 15 . 1 1 31 31 THR H H 1 0.546 0.016 . . . . . . . . . . 27655 1 30 . 1 1 32 32 SER N N 15 . 1 1 32 32 SER H H 1 0.713 0.017 . . . . . . . . . . 27655 1 31 . 1 1 33 33 GLU N N 15 . 1 1 33 33 GLU H H 1 0.506 0.028 . . . . . . . . . . 27655 1 32 . 1 1 34 34 VAL N N 15 . 1 1 34 34 VAL H H 1 0.374 0.015 . . . . . . . . . . 27655 1 33 . 1 1 35 35 ALA N N 15 . 1 1 35 35 ALA H H 1 0.450 0.011 . . . . . . . . . . 27655 1 34 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.486 0.02 . . . . . . . . . . 27655 1 35 . 1 1 37 37 THR N N 15 . 1 1 37 37 THR H H 1 0.643 0.013 . . . . . . . . . . 27655 1 36 . 1 1 38 38 ASN N N 15 . 1 1 38 38 ASN H H 1 0.651 0.017 . . . . . . . . . . 27655 1 37 . 1 1 39 39 THR N N 15 . 1 1 39 39 THR H H 1 0.624 0.027 . . . . . . . . . . 27655 1 38 . 1 1 40 40 GLN N N 15 . 1 1 40 40 GLN H H 1 0.668 0.017 . . . . . . . . . . 27655 1 39 . 1 1 41 41 GLU N N 15 . 1 1 41 41 GLU H H 1 0.494 0.038 . . . . . . . . . . 27655 1 40 . 1 1 42 42 HIS N N 15 . 1 1 42 42 HIS H H 1 0.709 0.023 . . . . . . . . . . 27655 1 41 . 1 1 43 43 ILE N N 15 . 1 1 43 43 ILE H H 1 0.768 0.021 . . . . . . . . . . 27655 1 42 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.704 0.023 . . . . . . . . . . 27655 1 43 . 1 1 45 45 MET N N 15 . 1 1 45 45 MET H H 1 0.263 0.017 . . . . . . . . . . 27655 1 44 . 1 1 46 46 LEU N N 15 . 1 1 46 46 LEU H H 1 0.762 0.016 . . . . . . . . . . 27655 1 45 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 0.693 0.017 . . . . . . . . . . 27655 1 46 . 1 1 48 48 SER N N 15 . 1 1 48 48 SER H H 1 0.686 0.021 . . . . . . . . . . 27655 1 47 . 1 1 49 49 GLU N N 15 . 1 1 49 49 GLU H H 1 0.450 0.015 . . . . . . . . . . 27655 1 48 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.559 0.015 . . . . . . . . . . 27655 1 49 . 1 1 51 51 SER N N 15 . 1 1 51 51 SER H H 1 0.329 0.008 . . . . . . . . . . 27655 1 50 . 1 1 52 52 LEU N N 15 . 1 1 52 52 LEU H H 1 0.451 0.014 . . . . . . . . . . 27655 1 51 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.634 0.012 . . . . . . . . . . 27655 1 52 . 1 1 54 54 ASN N N 15 . 1 1 54 54 ASN H H 1 0.605 0.014 . . . . . . . . . . 27655 1 53 . 1 1 55 55 SER N N 15 . 1 1 55 55 SER H H 1 0.598 0.018 . . . . . . . . . . 27655 1 54 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.693 0.02 . . . . . . . . . . 27655 1 55 . 1 1 57 57 MET N N 15 . 1 1 57 57 MET H H 1 0.880 0.014 . . . . . . . . . . 27655 1 56 . 1 1 58 58 ALA N N 15 . 1 1 58 58 ALA H H 1 0.790 0.015 . . . . . . . . . . 27655 1 57 . 1 1 59 59 ARG N N 15 . 1 1 59 59 ARG H H 1 0.669 0.016 . . . . . . . . . . 27655 1 58 . 1 1 60 60 ARG N N 15 . 1 1 60 60 ARG H H 1 0.703 0.019 . . . . . . . . . . 27655 1 59 . 1 1 61 61 LEU N N 15 . 1 1 61 61 LEU H H 1 0.762 0.03 . . . . . . . . . . 27655 1 60 . 1 1 62 62 ASN N N 15 . 1 1 62 62 ASN H H 1 0.764 0.019 . . . . . . . . . . 27655 1 61 . 1 1 63 63 VAL N N 15 . 1 1 63 63 VAL H H 1 0.630 0.021 . . . . . . . . . . 27655 1 62 . 1 1 64 64 SER N N 15 . 1 1 64 64 SER H H 1 0.518 0.012 . . . . . . . . . . 27655 1 63 . 1 1 65 65 GLN N N 15 . 1 1 65 65 GLN H H 1 0.548 0.012 . . . . . . . . . . 27655 1 64 . 1 1 66 66 ALA N N 15 . 1 1 66 66 ALA H H 1 0.444 0.015 . . . . . . . . . . 27655 1 65 . 1 1 67 67 ALA N N 15 . 1 1 67 67 ALA H H 1 0.725 0.016 . . . . . . . . . . 27655 1 66 . 1 1 68 68 VAL N N 15 . 1 1 68 68 VAL H H 1 0.770 0.018 . . . . . . . . . . 27655 1 67 . 1 1 69 69 THR N N 15 . 1 1 69 69 THR H H 1 0.602 0.016 . . . . . . . . . . 27655 1 68 . 1 1 70 70 LYS N N 15 . 1 1 70 70 LYS H H 1 0.671 0.016 . . . . . . . . . . 27655 1 69 . 1 1 71 71 ALA N N 15 . 1 1 71 71 ALA H H 1 0.681 0.017 . . . . . . . . . . 27655 1 70 . 1 1 72 72 ILE N N 15 . 1 1 72 72 ILE H H 1 0.741 0.018 . . . . . . . . . . 27655 1 71 . 1 1 73 73 LYS N N 15 . 1 1 73 73 LYS H H 1 0.819 0.015 . . . . . . . . . . 27655 1 72 . 1 1 74 74 SER N N 15 . 1 1 74 74 SER H H 1 0.697 0.019 . . . . . . . . . . 27655 1 73 . 1 1 75 75 LEU N N 15 . 1 1 75 75 LEU H H 1 0.791 0.022 . . . . . . . . . . 27655 1 74 . 1 1 76 76 VAL N N 15 . 1 1 76 76 VAL H H 1 0.694 0.017 . . . . . . . . . . 27655 1 75 . 1 1 77 77 LYS N N 15 . 1 1 77 77 LYS H H 1 0.850 0.017 . . . . . . . . . . 27655 1 76 . 1 1 78 78 GLU N N 15 . 1 1 78 78 GLU H H 1 0.814 0.022 . . . . . . . . . . 27655 1 77 . 1 1 79 79 GLY N N 15 . 1 1 79 79 GLY H H 1 0.780 0.018 . . . . . . . . . . 27655 1 78 . 1 1 80 80 MET N N 15 . 1 1 80 80 MET H H 1 0.678 0.017 . . . . . . . . . . 27655 1 79 . 1 1 81 81 LEU N N 15 . 1 1 81 81 LEU H H 1 0.916 0.025 . . . . . . . . . . 27655 1 80 . 1 1 82 82 GLU N N 15 . 1 1 82 82 GLU H H 1 0.849 0.017 . . . . . . . . . . 27655 1 81 . 1 1 83 83 THR N N 15 . 1 1 83 83 THR H H 1 0.462 0.009 . . . . . . . . . . 27655 1 82 . 1 1 84 84 SER N N 15 . 1 1 84 84 SER H H 1 0.499 0.009 . . . . . . . . . . 27655 1 83 . 1 1 85 85 LYS N N 15 . 1 1 85 85 LYS H H 1 0.274 0.006 . . . . . . . . . . 27655 1 84 . 1 1 86 86 ASP N N 15 . 1 1 86 86 ASP H H 1 0.266 0.005 . . . . . . . . . . 27655 1 85 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.297 0.006 . . . . . . . . . . 27655 1 86 . 1 1 88 88 LYS N N 15 . 1 1 88 88 LYS H H 1 0.286 0.005 . . . . . . . . . . 27655 1 87 . 1 1 89 89 ASP N N 15 . 1 1 89 89 ASP H H 1 0.267 0.005 . . . . . . . . . . 27655 1 88 . 1 1 90 90 ALA N N 15 . 1 1 90 90 ALA H H 1 0.300 0.005 . . . . . . . . . . 27655 1 89 . 1 1 91 91 ARG N N 15 . 1 1 91 91 ARG H H 1 0.347 0.007 . . . . . . . . . . 27655 1 90 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.389 0.008 . . . . . . . . . . 27655 1 91 . 1 1 93 93 ILE N N 15 . 1 1 93 93 ILE H H 1 0.322 0.008 . . . . . . . . . . 27655 1 92 . 1 1 94 94 PHE N N 15 . 1 1 94 94 PHE H H 1 0.601 0.01 . . . . . . . . . . 27655 1 93 . 1 1 95 95 TYR N N 15 . 1 1 95 95 TYR H H 1 0.633 0.009 . . . . . . . . . . 27655 1 94 . 1 1 96 96 GLN N N 15 . 1 1 96 96 GLN H H 1 0.733 0.015 . . . . . . . . . . 27655 1 95 . 1 1 97 97 LEU N N 15 . 1 1 97 97 LEU H H 1 0.683 0.013 . . . . . . . . . . 27655 1 96 . 1 1 98 98 THR N N 15 . 1 1 98 98 THR H H 1 0.579 0.011 . . . . . . . . . . 27655 1 97 . 1 1 99 99 ASP N N 15 . 1 1 99 99 ASP H H 1 0.786 0.011 . . . . . . . . . . 27655 1 98 . 1 1 100 100 LEU N N 15 . 1 1 100 100 LEU H H 1 0.641 0.015 . . . . . . . . . . 27655 1 99 . 1 1 101 101 ALA N N 15 . 1 1 101 101 ALA H H 1 0.663 0.016 . . . . . . . . . . 27655 1 100 . 1 1 102 102 ARG N N 15 . 1 1 102 102 ARG H H 1 0.711 0.015 . . . . . . . . . . 27655 1 101 . 1 1 104 104 ILE N N 15 . 1 1 104 104 ILE H H 1 0.771 0.025 . . . . . . . . . . 27655 1 102 . 1 1 105 105 ALA N N 15 . 1 1 105 105 ALA H H 1 0.814 0.023 . . . . . . . . . . 27655 1 103 . 1 1 106 106 GLU N N 15 . 1 1 106 106 GLU H H 1 0.934 0.025 . . . . . . . . . . 27655 1 104 . 1 1 107 107 GLU N N 15 . 1 1 107 107 GLU H H 1 0.802 0.022 . . . . . . . . . . 27655 1 105 . 1 1 108 108 HIS N N 15 . 1 1 108 108 HIS H H 1 0.822 0.023 . . . . . . . . . . 27655 1 106 . 1 1 109 109 HIS N N 15 . 1 1 109 109 HIS H H 1 0.771 0.017 . . . . . . . . . . 27655 1 107 . 1 1 110 110 HIS N N 15 . 1 1 110 110 HIS H H 1 0.898 0.026 . . . . . . . . . . 27655 1 108 . 1 1 111 111 HIS N N 15 . 1 1 111 111 HIS H H 1 0.822 0.035 . . . . . . . . . . 27655 1 109 . 1 1 112 112 HIS N N 15 . 1 1 112 112 HIS H H 1 0.671 0.023 . . . . . . . . . . 27655 1 110 . 1 1 113 113 GLU N N 15 . 1 1 113 113 GLU H H 1 0.738 0.019 . . . . . . . . . . 27655 1 111 . 1 1 114 114 HIS N N 15 . 1 1 114 114 HIS H H 1 0.820 0.027 . . . . . . . . . . 27655 1 112 . 1 1 115 115 THR N N 15 . 1 1 115 115 THR H H 1 0.695 0.029 . . . . . . . . . . 27655 1 113 . 1 1 117 117 LEU N N 15 . 1 1 117 117 LEU H H 1 0.704 0.02 . . . . . . . . . . 27655 1 114 . 1 1 118 118 THR N N 15 . 1 1 118 118 THR H H 1 0.615 0.026 . . . . . . . . . . 27655 1 115 . 1 1 119 119 TYR N N 15 . 1 1 119 119 TYR H H 1 0.789 0.024 . . . . . . . . . . 27655 1 116 . 1 1 120 120 GLU N N 15 . 1 1 120 120 GLU H H 1 0.725 0.022 . . . . . . . . . . 27655 1 117 . 1 1 121 121 GLN N N 15 . 1 1 121 121 GLN H H 1 0.815 0.02 . . . . . . . . . . 27655 1 118 . 1 1 122 122 VAL N N 15 . 1 1 122 122 VAL H H 1 0.646 0.023 . . . . . . . . . . 27655 1 119 . 1 1 123 123 ALA N N 15 . 1 1 123 123 ALA H H 1 0.639 0.018 . . . . . . . . . . 27655 1 120 . 1 1 124 124 THR N N 15 . 1 1 124 124 THR H H 1 0.804 0.032 . . . . . . . . . . 27655 1 121 . 1 1 125 125 GLN N N 15 . 1 1 125 125 GLN H H 1 0.764 0.016 . . . . . . . . . . 27655 1 122 . 1 1 126 126 PHE N N 15 . 1 1 126 126 PHE H H 1 0.733 0.017 . . . . . . . . . . 27655 1 123 . 1 1 127 127 THR N N 15 . 1 1 127 127 THR H H 1 0.796 0.017 . . . . . . . . . . 27655 1 124 . 1 1 129 129 ASN N N 15 . 1 1 129 129 ASN H H 1 0.758 0.027 . . . . . . . . . . 27655 1 125 . 1 1 130 130 GLU N N 15 . 1 1 130 130 GLU H H 1 0.672 0.314 . . . . . . . . . . 27655 1 126 . 1 1 131 131 GLN N N 15 . 1 1 131 131 GLN H H 1 0.757 0.026 . . . . . . . . . . 27655 1 127 . 1 1 132 132 LYS N N 15 . 1 1 132 132 LYS H H 1 0.656 0.019 . . . . . . . . . . 27655 1 128 . 1 1 133 133 VAL N N 15 . 1 1 133 133 VAL H H 1 0.734 0.019 . . . . . . . . . . 27655 1 129 . 1 1 134 134 ILE N N 15 . 1 1 134 134 ILE H H 1 0.764 0.016 . . . . . . . . . . 27655 1 130 . 1 1 135 135 GLN N N 15 . 1 1 135 135 GLN H H 1 0.937 0.031 . . . . . . . . . . 27655 1 131 . 1 1 136 136 ARG N N 15 . 1 1 136 136 ARG H H 1 0.851 0.019 . . . . . . . . . . 27655 1 132 . 1 1 137 137 PHE N N 15 . 1 1 137 137 PHE H H 1 0.385 0.007 . . . . . . . . . . 27655 1 133 . 1 1 138 138 LEU N N 15 . 1 1 138 138 LEU H H 1 0.635 0.01 . . . . . . . . . . 27655 1 134 . 1 1 139 139 THR N N 15 . 1 1 139 139 THR H H 1 0.809 0.024 . . . . . . . . . . 27655 1 135 . 1 1 140 140 ALA N N 15 . 1 1 140 140 ALA H H 1 0.725 0.019 . . . . . . . . . . 27655 1 136 . 1 1 141 141 LEU N N 15 . 1 1 141 141 LEU H H 1 0.543 0.013 . . . . . . . . . . 27655 1 137 . 1 1 142 142 VAL N N 15 . 1 1 142 142 VAL H H 1 0.681 0.022 . . . . . . . . . . 27655 1 138 . 1 1 143 143 GLY N N 15 . 1 1 143 143 GLY H H 1 0.700 0.025 . . . . . . . . . . 27655 1 139 . 1 1 144 144 GLU N N 15 . 1 1 144 144 GLU H H 1 0.663 0.02 . . . . . . . . . . 27655 1 140 . 1 1 145 145 ILE N N 15 . 1 1 145 145 ILE H H 1 0.688 0.029 . . . . . . . . . . 27655 1 141 . 1 1 146 146 LYS N N 15 . 1 1 146 146 LYS H H 1 0.532 0.03 . . . . . . . . . . 27655 1 stop_ save_