############################## # 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 18231 _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 400 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1.0 _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 15 '2D 1H-15N heteronuclear NOE' . . . 18231 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 4 4 LEU N N 15 . 1 1 4 4 LEU H H 1 0.708 0.219 . . . 4 LEU N . 4 LEU H 18231 1 2 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 0.624 0.188 . . . 6 THR N . 6 THR H 18231 1 3 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.719 0.251 . . . 7 ALA N . 7 ALA H 18231 1 4 . 1 1 8 8 MET N N 15 . 1 1 8 8 MET H H 1 0.614 0.131 . . . 8 MET N . 8 MET H 18231 1 5 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.609 0.244 . . . 9 GLU N . 9 GLU H 18231 1 6 . 1 1 10 10 THR N N 15 . 1 1 10 10 THR H H 1 0.650 0.195 . . . 10 THR N . 10 THR H 18231 1 7 . 1 1 11 11 LEU N N 15 . 1 1 11 11 LEU H H 1 0.755 0.242 . . . 11 LEU N . 11 LEU H 18231 1 8 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.548 0.251 . . . 14 VAL N . 14 VAL H 18231 1 9 . 1 1 15 15 PHE N N 15 . 1 1 15 15 PHE H H 1 0.656 0.193 . . . 15 PHE N . 15 PHE H 18231 1 10 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.635 0.168 . . . 17 ALA N . 17 ALA H 18231 1 11 . 1 1 18 18 HIS N N 15 . 1 1 18 18 HIS H H 1 0.807 0.224 . . . 18 HIS N . 18 HIS H 18231 1 12 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.668 0.177 . . . 19 SER N . 19 SER H 18231 1 13 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.614 0.180 . . . 20 GLY N . 20 GLY H 18231 1 14 . 1 1 21 21 LYS N N 15 . 1 1 21 21 LYS H H 1 0.624 0.165 . . . 21 LYS N . 21 LYS H 18231 1 15 . 1 1 22 22 GLU N N 15 . 1 1 22 22 GLU H H 1 0.712 0.175 . . . 22 GLU N . 22 GLU H 18231 1 16 . 1 1 26 26 TYR N N 15 . 1 1 26 26 TYR H H 1 0.634 0.210 . . . 26 TYR N . 26 TYR H 18231 1 17 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.893 0.220 . . . 27 LYS N . 27 LYS H 18231 1 18 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.602 0.199 . . . 30 LYS N . 30 LYS H 18231 1 19 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.671 0.107 . . . 31 LYS N . 31 LYS H 18231 1 20 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 0.608 0.183 . . . 33 LEU N . 33 LEU H 18231 1 21 . 1 1 34 34 LYS N N 15 . 1 1 34 34 LYS H H 1 0.643 0.129 . . . 34 LYS N . 34 LYS H 18231 1 22 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.742 0.206 . . . 35 GLU N . 35 GLU H 18231 1 23 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.866 0.259 . . . 36 LEU N . 36 LEU H 18231 1 24 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.770 0.194 . . . 37 LEU N . 37 LEU H 18231 1 25 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.727 0.225 . . . 38 GLN N . 38 GLN H 18231 1 26 . 1 1 39 39 THR N N 15 . 1 1 39 39 THR H H 1 0.659 0.223 . . . 39 THR N . 39 THR H 18231 1 27 . 1 1 40 40 GLU N N 15 . 1 1 40 40 GLU H H 1 0.669 0.226 . . . 40 GLU N . 40 GLU H 18231 1 28 . 1 1 47 47 ALA N N 15 . 1 1 47 47 ALA H H 1 0.600 0.240 . . . 47 ALA N . 47 ALA H 18231 1 29 . 1 1 50 50 ASP N N 15 . 1 1 50 50 ASP H H 1 0.298 0.124 . . . 50 ASP N . 50 ASP H 18231 1 30 . 1 1 53 53 ALA N N 15 . 1 1 53 53 ALA H H 1 0.425 0.154 . . . 53 ALA N . 53 ALA H 18231 1 31 . 1 1 55 55 ASP N N 15 . 1 1 55 55 ASP H H 1 0.623 0.147 . . . 55 ASP N . 55 ASP H 18231 1 32 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 0.634 0.153 . . . 56 LYS N . 56 LYS H 18231 1 33 . 1 1 57 57 VAL N N 15 . 1 1 57 57 VAL H H 1 0.709 0.219 . . . 57 VAL N . 57 VAL H 18231 1 34 . 1 1 58 58 MET N N 15 . 1 1 58 58 MET H H 1 0.612 0.132 . . . 58 MET N . 58 MET H 18231 1 35 . 1 1 59 59 LYS N N 15 . 1 1 59 59 LYS H H 1 0.665 0.122 . . . 59 LYS N . 59 LYS H 18231 1 36 . 1 1 60 60 GLU N N 15 . 1 1 60 60 GLU H H 1 0.619 0.182 . . . 60 GLU N . 60 GLU H 18231 1 37 . 1 1 61 61 LEU N N 15 . 1 1 61 61 LEU H H 1 0.613 0.208 . . . 61 LEU N . 61 LEU H 18231 1 38 . 1 1 63 63 GLU N N 15 . 1 1 63 63 GLU H H 1 0.579 0.148 . . . 63 GLU N . 63 GLU H 18231 1 39 . 1 1 64 64 ASN N N 15 . 1 1 64 64 ASN H H 1 0.707 0.134 . . . 64 ASN N . 64 ASN H 18231 1 40 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.725 0.148 . . . 65 GLY N . 65 GLY H 18231 1 41 . 1 1 67 67 GLY N N 15 . 1 1 67 67 GLY H H 1 0.700 0.189 . . . 67 GLY N . 67 GLY H 18231 1 42 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.749 0.133 . . . 68 GLU N . 68 GLU H 18231 1 43 . 1 1 69 69 VAL N N 15 . 1 1 69 69 VAL H H 1 0.458 0.201 . . . 69 VAL N . 69 VAL H 18231 1 44 . 1 1 71 71 PHE N N 15 . 1 1 71 71 PHE H H 1 0.769 0.246 . . . 71 PHE N . 71 PHE H 18231 1 45 . 1 1 72 72 GLN N N 15 . 1 1 72 72 GLN H H 1 0.702 0.133 . . . 72 GLN N . 72 GLN H 18231 1 46 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.623 0.211 . . . 73 GLU N . 73 GLU H 18231 1 47 . 1 1 74 74 TYR N N 15 . 1 1 74 74 TYR H H 1 0.605 0.200 . . . 74 TYR N . 74 TYR H 18231 1 48 . 1 1 75 75 VAL N N 15 . 1 1 75 75 VAL H H 1 0.565 0.214 . . . 75 VAL N . 75 VAL H 18231 1 49 . 1 1 76 76 VAL N N 15 . 1 1 76 76 VAL H H 1 0.800 0.222 . . . 76 VAL N . 76 VAL H 18231 1 50 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 0.705 0.218 . . . 77 LEU N . 77 LEU H 18231 1 51 . 1 1 78 78 VAL N N 15 . 1 1 78 78 VAL H H 1 0.575 0.224 . . . 78 VAL N . 78 VAL H 18231 1 52 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.678 0.271 . . . 79 ALA N . 79 ALA H 18231 1 53 . 1 1 80 80 ALA N N 15 . 1 1 80 80 ALA H H 1 0.645 0.170 . . . 80 ALA N . 80 ALA H 18231 1 54 . 1 1 81 81 LEU N N 15 . 1 1 81 81 LEU H H 1 0.663 0.199 . . . 81 LEU N . 81 LEU H 18231 1 55 . 1 1 82 82 THR N N 15 . 1 1 82 82 THR H H 1 0.729 0.225 . . . 82 THR N . 82 THR H 18231 1 56 . 1 1 84 84 ALA N N 15 . 1 1 84 84 ALA H H 1 0.743 0.188 . . . 84 ALA N . 84 ALA H 18231 1 57 . 1 1 85 85 CYS N N 15 . 1 1 85 85 CYS H H 1 0.840 0.281 . . . 85 CYS N . 85 CYS H 18231 1 58 . 1 1 89 89 PHE N N 15 . 1 1 89 89 PHE H H 1 0.555 0.160 . . . 89 PHE N . 89 PHE H 18231 1 59 . 1 1 90 90 TRP N N 15 . 1 1 90 90 TRP H H 1 0.468 0.174 . . . 90 TRP N . 90 TRP H 18231 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 18231 _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 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1.0 _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 15 '2D 1H-15N heteronuclear NOE' . . . 18231 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 4 4 LEU N N 15 . 1 1 4 4 LEU H H 1 0.523 0.170 . . . 4 LEU N . 4 LEU H 18231 2 2 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 0.684 0.274 . . . 6 THR N . 6 THR H 18231 2 3 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.613 0.203 . . . 7 ALA N . 7 ALA H 18231 2 4 . 1 1 8 8 MET N N 15 . 1 1 8 8 MET H H 1 0.627 0.151 . . . 8 MET N . 8 MET H 18231 2 5 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.554 0.319 . . . 9 GLU N . 9 GLU H 18231 2 6 . 1 1 10 10 THR N N 15 . 1 1 10 10 THR H H 1 0.761 0.219 . . . 10 THR N . 10 THR H 18231 2 7 . 1 1 11 11 LEU N N 15 . 1 1 11 11 LEU H H 1 0.548 0.208 . . . 11 LEU N . 11 LEU H 18231 2 8 . 1 1 12 12 ILE N N 15 . 1 1 12 12 ILE H H 1 0.536 0.245 . . . 12 ILE N . 12 ILE H 18231 2 9 . 1 1 13 13 ASN N N 15 . 1 1 13 13 ASN H H 1 0.536 0.309 . . . 13 ASN N . 13 ASN H 18231 2 10 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.729 0.358 . . . 14 VAL N . 14 VAL H 18231 2 11 . 1 1 15 15 PHE N N 15 . 1 1 15 15 PHE H H 1 0.970 0.305 . . . 15 PHE N . 15 PHE H 18231 2 12 . 1 1 16 16 HIS N N 15 . 1 1 16 16 HIS H H 1 0.374 0.205 . . . 16 HIS N . 16 HIS H 18231 2 13 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.672 0.202 . . . 17 ALA N . 17 ALA H 18231 2 14 . 1 1 18 18 HIS N N 15 . 1 1 18 18 HIS H H 1 0.780 0.176 . . . 18 HIS N . 18 HIS H 18231 2 15 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.799 0.190 . . . 19 SER N . 19 SER H 18231 2 16 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.652 0.157 . . . 20 GLY N . 20 GLY H 18231 2 17 . 1 1 21 21 LYS N N 15 . 1 1 21 21 LYS H H 1 0.674 0.124 . . . 21 LYS N . 21 LYS H 18231 2 18 . 1 1 22 22 GLU N N 15 . 1 1 22 22 GLU H H 1 0.657 0.106 . . . 22 GLU N . 22 GLU H 18231 2 19 . 1 1 26 26 TYR N N 15 . 1 1 26 26 TYR H H 1 0.647 0.219 . . . 26 TYR N . 26 TYR H 18231 2 20 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.667 0.124 . . . 27 LYS N . 27 LYS H 18231 2 21 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.621 0.210 . . . 28 LEU N . 28 LEU H 18231 2 22 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 0.748 0.271 . . . 29 SER N . 29 SER H 18231 2 23 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.754 0.157 . . . 30 LYS N . 30 LYS H 18231 2 24 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.707 0.108 . . . 31 LYS N . 31 LYS H 18231 2 25 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 0.769 0.178 . . . 32 GLU N . 32 GLU H 18231 2 26 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 0.662 0.159 . . . 33 LEU N . 33 LEU H 18231 2 27 . 1 1 34 34 LYS N N 15 . 1 1 34 34 LYS H H 1 0.882 0.157 . . . 34 LYS N . 34 LYS H 18231 2 28 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.868 0.154 . . . 35 GLU N . 35 GLU H 18231 2 29 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.988 0.233 . . . 36 LEU N . 36 LEU H 18231 2 30 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.723 0.252 . . . 37 LEU N . 37 LEU H 18231 2 31 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.559 0.212 . . . 38 GLN N . 38 GLN H 18231 2 32 . 1 1 39 39 THR N N 15 . 1 1 39 39 THR H H 1 0.790 0.227 . . . 39 THR N . 39 THR H 18231 2 33 . 1 1 40 40 GLU N N 15 . 1 1 40 40 GLU H H 1 0.609 0.244 . . . 40 GLU N . 40 GLU H 18231 2 34 . 1 1 44 44 PHE N N 15 . 1 1 44 44 PHE H H 1 0.761 0.396 . . . 44 PHE N . 44 PHE H 18231 2 35 . 1 1 47 47 ALA N N 15 . 1 1 47 47 ALA H H 1 0.395 0.212 . . . 47 ALA N . 47 ALA H 18231 2 36 . 1 1 50 50 ASP N N 15 . 1 1 50 50 ASP H H 1 0.417 0.150 . . . 50 ASP N . 50 ASP H 18231 2 37 . 1 1 51 51 VAL N N 15 . 1 1 51 51 VAL H H 1 0.282 0.294 . . . 51 VAL N . 51 VAL H 18231 2 38 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.360 0.256 . . . 52 ASP N . 52 ASP H 18231 2 39 . 1 1 53 53 ALA N N 15 . 1 1 53 53 ALA H H 1 0.658 0.158 . . . 53 ALA N . 53 ALA H 18231 2 40 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.612 0.238 . . . 54 VAL N . 54 VAL H 18231 2 41 . 1 1 55 55 ASP N N 15 . 1 1 55 55 ASP H H 1 0.478 0.214 . . . 55 ASP N . 55 ASP H 18231 2 42 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 0.747 0.127 . . . 56 LYS N . 56 LYS H 18231 2 43 . 1 1 57 57 VAL N N 15 . 1 1 57 57 VAL H H 1 0.597 0.175 . . . 57 VAL N . 57 VAL H 18231 2 44 . 1 1 58 58 MET N N 15 . 1 1 58 58 MET H H 1 0.644 0.139 . . . 58 MET N . 58 MET H 18231 2 45 . 1 1 59 59 LYS N N 15 . 1 1 59 59 LYS H H 1 0.740 0.121 . . . 59 LYS N . 59 LYS H 18231 2 46 . 1 1 60 60 GLU N N 15 . 1 1 60 60 GLU H H 1 0.662 0.179 . . . 60 GLU N . 60 GLU H 18231 2 47 . 1 1 61 61 LEU N N 15 . 1 1 61 61 LEU H H 1 0.578 0.191 . . . 61 LEU N . 61 LEU H 18231 2 48 . 1 1 63 63 GLU N N 15 . 1 1 63 63 GLU H H 1 0.634 0.150 . . . 63 GLU N . 63 GLU H 18231 2 49 . 1 1 64 64 ASN N N 15 . 1 1 64 64 ASN H H 1 0.736 0.108 . . . 64 ASN N . 64 ASN H 18231 2 50 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.853 0.108 . . . 65 GLY N . 65 GLY H 18231 2 51 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.757 0.096 . . . 66 ASP N . 66 ASP H 18231 2 52 . 1 1 67 67 GLY N N 15 . 1 1 67 67 GLY H H 1 0.658 0.132 . . . 67 GLY N . 67 GLY H 18231 2 53 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.756 0.100 . . . 68 GLU N . 68 GLU H 18231 2 54 . 1 1 69 69 VAL N N 15 . 1 1 69 69 VAL H H 1 0.960 0.302 . . . 69 VAL N . 69 VAL H 18231 2 55 . 1 1 70 70 ASP N N 15 . 1 1 70 70 ASP H H 1 0.560 0.185 . . . 70 ASP N . 70 ASP H 18231 2 56 . 1 1 71 71 PHE N N 15 . 1 1 71 71 PHE H H 1 0.968 0.342 . . . 71 PHE N . 71 PHE H 18231 2 57 . 1 1 72 72 GLN N N 15 . 1 1 72 72 GLN H H 1 0.719 0.128 . . . 72 GLN N . 72 GLN H 18231 2 58 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.672 0.202 . . . 73 GLU N . 73 GLU H 18231 2 59 . 1 1 74 74 TYR N N 15 . 1 1 74 74 TYR H H 1 0.725 0.224 . . . 74 TYR N . 74 TYR H 18231 2 60 . 1 1 75 75 VAL N N 15 . 1 1 75 75 VAL H H 1 0.654 0.228 . . . 75 VAL N . 75 VAL H 18231 2 61 . 1 1 76 76 VAL N N 15 . 1 1 76 76 VAL H H 1 0.573 0.223 . . . 76 VAL N . 76 VAL H 18231 2 62 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 0.464 0.207 . . . 77 LEU N . 77 LEU H 18231 2 63 . 1 1 78 78 VAL N N 15 . 1 1 78 78 VAL H H 1 0.449 0.197 . . . 78 VAL N . 78 VAL H 18231 2 64 . 1 1 80 80 ALA N N 15 . 1 1 80 80 ALA H H 1 0.433 0.187 . . . 80 ALA N . 80 ALA H 18231 2 65 . 1 1 81 81 LEU N N 15 . 1 1 81 81 LEU H H 1 0.648 0.260 . . . 81 LEU N . 81 LEU H 18231 2 66 . 1 1 84 84 ALA N N 15 . 1 1 84 84 ALA H H 1 0.407 0.216 . . . 84 ALA N . 84 ALA H 18231 2 67 . 1 1 85 85 CYS N N 15 . 1 1 85 85 CYS H H 1 0.641 0.315 . . . 85 CYS N . 85 CYS H 18231 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_3 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_3 _Heteronucl_NOE_list.Entry_ID 18231 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 700 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1.0 _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 15 '2D 1H-15N heteronuclear NOE' . . . 18231 3 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 0.856 0.096 . . . 3 GLU N . 3 GLU H 18231 3 2 . 1 1 6 6 THR N N 15 . 1 1 6 6 THR H H 1 0.836 0.052 . . . 6 THR N . 6 THR H 18231 3 3 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.938 0.066 . . . 7 ALA N . 7 ALA H 18231 3 4 . 1 1 8 8 MET N N 15 . 1 1 8 8 MET H H 1 0.818 0.035 . . . 8 MET N . 8 MET H 18231 3 5 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.895 0.087 . . . 9 GLU N . 9 GLU H 18231 3 6 . 1 1 10 10 THR N N 15 . 1 1 10 10 THR H H 1 0.956 0.065 . . . 10 THR N . 10 THR H 18231 3 7 . 1 1 11 11 LEU N N 15 . 1 1 11 11 LEU H H 1 0.903 0.063 . . . 11 LEU N . 11 LEU H 18231 3 8 . 1 1 12 12 ILE N N 15 . 1 1 12 12 ILE H H 1 0.892 0.093 . . . 12 ILE N . 12 ILE H 18231 3 9 . 1 1 13 13 ASN N N 15 . 1 1 13 13 ASN H H 1 0.907 0.083 . . . 13 ASN N . 13 ASN H 18231 3 10 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.898 0.076 . . . 14 VAL N . 14 VAL H 18231 3 11 . 1 1 15 15 PHE N N 15 . 1 1 15 15 PHE H H 1 0.943 0.061 . . . 15 PHE N . 15 PHE H 18231 3 12 . 1 1 16 16 HIS N N 15 . 1 1 16 16 HIS H H 1 1.004 0.085 . . . 16 HIS N . 16 HIS H 18231 3 13 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.875 0.040 . . . 17 ALA N . 17 ALA H 18231 3 14 . 1 1 18 18 HIS N N 15 . 1 1 18 18 HIS H H 1 0.842 0.056 . . . 18 HIS N . 18 HIS H 18231 3 15 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.839 0.050 . . . 19 SER N . 19 SER H 18231 3 16 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.882 0.051 . . . 20 GLY N . 20 GLY H 18231 3 17 . 1 1 21 21 LYS N N 15 . 1 1 21 21 LYS H H 1 0.844 0.037 . . . 21 LYS N . 21 LYS H 18231 3 18 . 1 1 22 22 GLU N N 15 . 1 1 22 22 GLU H H 1 0.828 0.034 . . . 22 GLU N . 22 GLU H 18231 3 19 . 1 1 26 26 TYR N N 15 . 1 1 26 26 TYR H H 1 0.887 0.053 . . . 26 TYR N . 26 TYR H 18231 3 20 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.830 0.036 . . . 27 LYS N . 27 LYS H 18231 3 21 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.872 0.060 . . . 28 LEU N . 28 LEU H 18231 3 22 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 0.871 0.073 . . . 29 SER N . 29 SER H 18231 3 23 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.860 0.045 . . . 30 LYS N . 30 LYS H 18231 3 24 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.810 0.027 . . . 31 LYS N . 31 LYS H 18231 3 25 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 0.811 0.055 . . . 32 GLU N . 32 GLU H 18231 3 26 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 0.949 0.061 . . . 33 LEU N . 33 LEU H 18231 3 27 . 1 1 34 34 LYS N N 15 . 1 1 34 34 LYS H H 1 0.862 0.036 . . . 34 LYS N . 34 LYS H 18231 3 28 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.890 0.042 . . . 35 GLU N . 35 GLU H 18231 3 29 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.948 0.053 . . . 36 LEU N . 36 LEU H 18231 3 30 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.913 0.062 . . . 37 LEU N . 37 LEU H 18231 3 31 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.875 0.059 . . . 38 GLN N . 38 GLN H 18231 3 32 . 1 1 39 39 THR N N 15 . 1 1 39 39 THR H H 1 0.859 0.060 . . . 39 THR N . 39 THR H 18231 3 33 . 1 1 40 40 GLU N N 15 . 1 1 40 40 GLU H H 1 0.852 0.055 . . . 40 GLU N . 40 GLU H 18231 3 34 . 1 1 44 44 PHE N N 15 . 1 1 44 44 PHE H H 1 0.836 0.076 . . . 44 PHE N . 44 PHE H 18231 3 35 . 1 1 45 45 LEU N N 15 . 1 1 45 45 LEU H H 1 0.852 0.041 . . . 45 LEU N . 45 LEU H 18231 3 36 . 1 1 47 47 ALA N N 15 . 1 1 47 47 ALA H H 1 0.667 0.061 . . . 47 ALA N . 47 ALA H 18231 3 37 . 1 1 50 50 ASP N N 15 . 1 1 50 50 ASP H H 1 0.449 0.021 . . . 50 ASP N . 50 ASP H 18231 3 38 . 1 1 51 51 VAL N N 15 . 1 1 51 51 VAL H H 1 0.641 0.071 . . . 51 VAL N . 51 VAL H 18231 3 39 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.610 0.051 . . . 52 ASP N . 52 ASP H 18231 3 40 . 1 1 53 53 ALA N N 15 . 1 1 53 53 ALA H H 1 0.738 0.028 . . . 53 ALA N . 53 ALA H 18231 3 41 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.748 0.049 . . . 54 VAL N . 54 VAL H 18231 3 42 . 1 1 55 55 ASP N N 15 . 1 1 55 55 ASP H H 1 0.806 0.038 . . . 55 ASP N . 55 ASP H 18231 3 43 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 0.829 0.032 . . . 56 LYS N . 56 LYS H 18231 3 44 . 1 1 57 57 VAL N N 15 . 1 1 57 57 VAL H H 1 0.829 0.049 . . . 57 VAL N . 57 VAL H 18231 3 45 . 1 1 58 58 MET N N 15 . 1 1 58 58 MET H H 1 0.896 0.034 . . . 58 MET N . 58 MET H 18231 3 46 . 1 1 59 59 LYS N N 15 . 1 1 59 59 LYS H H 1 0.821 0.023 . . . 59 LYS N . 59 LYS H 18231 3 47 . 1 1 60 60 GLU N N 15 . 1 1 60 60 GLU H H 1 0.876 0.030 . . . 60 GLU N . 60 GLU H 18231 3 48 . 1 1 61 61 LEU N N 15 . 1 1 61 61 LEU H H 1 0.845 0.044 . . . 61 LEU N . 61 LEU H 18231 3 49 . 1 1 63 63 GLU N N 15 . 1 1 63 63 GLU H H 1 0.826 0.027 . . . 63 GLU N . 63 GLU H 18231 3 50 . 1 1 64 64 ASN N N 15 . 1 1 64 64 ASN H H 1 0.810 0.024 . . . 64 ASN N . 64 ASN H 18231 3 51 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.859 0.024 . . . 65 GLY N . 65 GLY H 18231 3 52 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.863 0.026 . . . 66 ASP N . 66 ASP H 18231 3 53 . 1 1 67 67 GLY N N 15 . 1 1 67 67 GLY H H 1 0.845 0.032 . . . 67 GLY N . 67 GLY H 18231 3 54 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.825 0.022 . . . 68 GLU N . 68 GLU H 18231 3 55 . 1 1 69 69 VAL N N 15 . 1 1 69 69 VAL H H 1 0.894 0.044 . . . 69 VAL N . 69 VAL H 18231 3 56 . 1 1 70 70 ASP N N 15 . 1 1 70 70 ASP H H 1 0.881 0.047 . . . 70 ASP N . 70 ASP H 18231 3 57 . 1 1 71 71 PHE N N 15 . 1 1 71 71 PHE H H 1 0.918 0.049 . . . 71 PHE N . 71 PHE H 18231 3 58 . 1 1 72 72 GLN N N 15 . 1 1 72 72 GLN H H 1 0.835 0.019 . . . 72 GLN N . 72 GLN H 18231 3 59 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.757 0.028 . . . 73 GLU N . 73 GLU H 18231 3 60 . 1 1 74 74 TYR N N 15 . 1 1 74 74 TYR H H 1 0.920 0.050 . . . 74 TYR N . 74 TYR H 18231 3 61 . 1 1 75 75 VAL N N 15 . 1 1 75 75 VAL H H 1 0.942 0.050 . . . 75 VAL N . 75 VAL H 18231 3 62 . 1 1 76 76 VAL N N 15 . 1 1 76 76 VAL H H 1 0.990 0.050 . . . 76 VAL N . 76 VAL H 18231 3 63 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 0.924 0.056 . . . 77 LEU N . 77 LEU H 18231 3 64 . 1 1 78 78 VAL N N 15 . 1 1 78 78 VAL H H 1 1.029 0.064 . . . 78 VAL N . 78 VAL H 18231 3 65 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.965 0.054 . . . 79 ALA N . 79 ALA H 18231 3 66 . 1 1 80 80 ALA N N 15 . 1 1 80 80 ALA H H 1 0.883 0.040 . . . 80 ALA N . 80 ALA H 18231 3 67 . 1 1 81 81 LEU N N 15 . 1 1 81 81 LEU H H 1 0.930 0.053 . . . 81 LEU N . 81 LEU H 18231 3 68 . 1 1 82 82 THR N N 15 . 1 1 82 82 THR H H 1 1.003 0.063 . . . 82 THR N . 82 THR H 18231 3 69 . 1 1 83 83 VAL N N 15 . 1 1 83 83 VAL H H 1 0.924 0.090 . . . 83 VAL N . 83 VAL H 18231 3 70 . 1 1 84 84 ALA N N 15 . 1 1 84 84 ALA H H 1 0.887 0.039 . . . 84 ALA N . 84 ALA H 18231 3 71 . 1 1 85 85 CYS N N 15 . 1 1 85 85 CYS H H 1 0.908 0.058 . . . 85 CYS N . 85 CYS H 18231 3 72 . 1 1 89 89 PHE N N 15 . 1 1 89 89 PHE H H 1 0.718 0.046 . . . 89 PHE N . 89 PHE H 18231 3 73 . 1 1 90 90 TRP N N 15 . 1 1 90 90 TRP H H 1 0.668 0.072 . . . 90 TRP N . 90 TRP H 18231 3 stop_ save_