############################## # 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 25025 _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 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _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 8 {1H}NOE . . . 25025 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 9 9 ASP N N 15 . 1 1 9 9 ASP H H 1 0.68196 0.0786 . . . . . . . 9 ASP . 25025 1 2 . 1 1 11 11 LYS N N 15 . 1 1 11 11 LYS H H 1 0.909238 0.17528 . . . . . . . 11 LYS . 25025 1 3 . 1 1 12 12 THR N N 15 . 1 1 12 12 THR H H 1 0.716323 0.10073 . . . . . . . 12 THR . 25025 1 4 . 1 1 13 13 ALA N N 15 . 1 1 13 13 ALA H H 1 1.001866 0.16991 . . . . . . . 13 ALA . 25025 1 5 . 1 1 14 14 ALA N N 15 . 1 1 14 14 ALA H H 1 1.01846 0.20261 . . . . . . . 14 ALA . 25025 1 6 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.71484 0.1235 . . . . . . . 15 LEU . 25025 1 7 . 1 1 16 16 LYS N N 15 . 1 1 16 16 LYS H H 1 0.683507 0.09922 . . . . . . . 16 LYS . 25025 1 8 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.703809 0.17227 . . . . . . . 17 ARG . 25025 1 9 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.750933 0.19487 . . . . . . . 19 SER . 25025 1 10 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.839754 0.25153 . . . . . . . 20 ILE . 25025 1 11 . 1 1 21 21 ARG N N 15 . 1 1 21 21 ARG H H 1 0.575275 0.05031 . . . . . . . 21 ARG . 25025 1 12 . 1 1 22 22 ARG N N 15 . 1 1 22 22 ARG H H 1 0.612193 0.10604 . . . . . . . 22 ARG . 25025 1 13 . 1 1 23 23 TYR N N 15 . 1 1 23 23 TYR H H 1 0.739745 0.11664 . . . . . . . 23 TYR . 25025 1 14 . 1 1 24 24 ARG N N 15 . 1 1 24 24 ARG H H 1 0.730379 0.12731 . . . . . . . 24 ARG . 25025 1 15 . 1 1 26 26 ASP N N 15 . 1 1 26 26 ASP H H 1 0.716427 0.14322 . . . . . . . 26 ASP . 25025 1 16 . 1 1 28 28 VAL N N 15 . 1 1 28 28 VAL H H 1 0.655603 0.11609 . . . . . . . 28 VAL . 25025 1 17 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.836218 0.1358 . . . . . . . 32 LEU . 25025 1 18 . 1 1 34 34 ARG N N 15 . 1 1 34 34 ARG H H 1 1.047873 0.13772 . . . . . . . 34 ARG . 25025 1 19 . 1 1 40 40 ALA N N 15 . 1 1 40 40 ALA H H 1 0.815391 0.09026 . . . . . . . 40 ALA . 25025 1 20 . 1 1 42 42 ARG N N 15 . 1 1 42 42 ARG H H 1 0.699975 0.1021 . . . . . . . 42 ARG . 25025 1 21 . 1 1 43 43 ALA N N 15 . 1 1 43 43 ALA H H 1 0.798467 0.12067 . . . . . . . 43 ALA . 25025 1 22 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.80758 0.15237 . . . . . . . 45 SER . 25025 1 23 . 1 1 48 48 ASN N N 15 . 1 1 48 48 ASN H H 1 0.832019 0.15524 . . . . . . . 48 ASN . 25025 1 24 . 1 1 50 50 GLN N N 15 . 1 1 50 50 GLN H H 1 0.846808 0.15762 . . . . . . . 50 GLN . 25025 1 25 . 1 1 52 52 TRP N N 15 . 1 1 52 52 TRP H H 1 0.811539 0.09191 . . . . . . . 52 TRP . 25025 1 26 . 1 1 54 54 ILE N N 15 . 1 1 54 54 ILE H H 1 0.857247 0.06616 . . . . . . . 54 ILE . 25025 1 27 . 1 1 55 55 VAL N N 15 . 1 1 55 55 VAL H H 1 0.797629 0.13938 . . . . . . . 55 VAL . 25025 1 28 . 1 1 56 56 VAL N N 15 . 1 1 56 56 VAL H H 1 0.746686 0.14553 . . . . . . . 56 VAL . 25025 1 29 . 1 1 57 57 VAL N N 15 . 1 1 57 57 VAL H H 1 0.672511 0.12609 . . . . . . . 57 VAL . 25025 1 30 . 1 1 58 58 ARG N N 15 . 1 1 58 58 ARG H H 1 0.67059 0.08529 . . . . . . . 58 ARG . 25025 1 31 . 1 1 62 62 THR N N 15 . 1 1 62 62 THR H H 1 0.784138 0.06279 . . . . . . . 62 THR . 25025 1 32 . 1 1 63 63 LYS N N 15 . 1 1 63 63 LYS H H 1 1.048383 0.11341 . . . . . . . 63 LYS . 25025 1 33 . 1 1 64 64 ARG N N 15 . 1 1 64 64 ARG H H 1 0.808622 0.06029 . . . . . . . 64 ARG . 25025 1 34 . 1 1 65 65 ALA N N 15 . 1 1 65 65 ALA H H 1 0.818907 0.10812 . . . . . . . 65 ALA . 25025 1 35 . 1 1 66 66 LEU N N 15 . 1 1 66 66 LEU H H 1 0.852352 0.06414 . . . . . . . 66 LEU . 25025 1 36 . 1 1 67 67 ARG N N 15 . 1 1 67 67 ARG H H 1 0.757301 0.18864 . . . . . . . 67 ARG . 25025 1 37 . 1 1 70 70 ALA N N 15 . 1 1 70 70 ALA H H 1 0.760156 0.09408 . . . . . . . 70 ALA . 25025 1 38 . 1 1 71 71 PHE N N 15 . 1 1 71 71 PHE H H 1 0.727946 0.09988 . . . . . . . 71 PHE . 25025 1 39 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.825261 0.15231 . . . . . . . 72 GLY . 25025 1 40 . 1 1 73 73 GLN N N 15 . 1 1 73 73 GLN H H 1 0.929337 0.14273 . . . . . . . 73 GLN . 25025 1 41 . 1 1 74 74 ALA N N 15 . 1 1 74 74 ALA H H 1 0.890372 0.18149 . . . . . . . 74 ALA . 25025 1 42 . 1 1 75 75 HIS N N 15 . 1 1 75 75 HIS H H 1 0.732053 0.06164 . . . . . . . 75 HIS . 25025 1 43 . 1 1 76 76 VAL N N 15 . 1 1 76 76 VAL H H 1 0.795584 0.15301 . . . . . . . 76 VAL . 25025 1 44 . 1 1 78 78 GLU N N 15 . 1 1 78 78 GLU H H 1 0.806643 0.1311 . . . . . . . 78 GLU . 25025 1 45 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.836175 0.07545 . . . . . . . 79 ALA . 25025 1 46 . 1 1 81 81 VAL N N 15 . 1 1 81 81 VAL H H 1 0.778831 0.09692 . . . . . . . 81 VAL . 25025 1 47 . 1 1 82 82 VAL N N 15 . 1 1 82 82 VAL H H 1 0.780244 0.09763 . . . . . . . 82 VAL . 25025 1 48 . 1 1 85 85 LEU N N 15 . 1 1 85 85 LEU H H 1 0.896826 0.14737 . . . . . . . 85 LEU . 25025 1 49 . 1 1 86 86 TYR N N 15 . 1 1 86 86 TYR H H 1 0.837845 0.11948 . . . . . . . 86 TYR . 25025 1 50 . 1 1 87 87 ALA N N 15 . 1 1 87 87 ALA H H 1 0.711955 0.12923 . . . . . . . 87 ALA . 25025 1 51 . 1 1 89 89 LEU N N 15 . 1 1 89 89 LEU H H 1 0.732727 0.13237 . . . . . . . 89 LEU . 25025 1 52 . 1 1 90 90 GLU N N 15 . 1 1 90 90 GLU H H 1 0.681457 0.09989 . . . . . . . 90 GLU . 25025 1 53 . 1 1 91 91 ASP N N 15 . 1 1 91 91 ASP H H 1 0.641608 0.0966 . . . . . . . 91 ASP . 25025 1 54 . 1 1 93 93 LEU N N 15 . 1 1 93 93 LEU H H 1 0.769815 0.14343 . . . . . . . 93 LEU . 25025 1 55 . 1 1 95 95 HIS N N 15 . 1 1 95 95 HIS H H 1 0.831267 0.08871 . . . . . . . 95 HIS . 25025 1 56 . 1 1 96 96 LEU N N 15 . 1 1 96 96 LEU H H 1 0.608698 0.07454 . . . . . . . 96 LEU . 25025 1 57 . 1 1 98 98 GLU N N 15 . 1 1 98 98 GLU H H 1 0.685918 0.09919 . . . . . . . 98 GLU . 25025 1 58 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 0.812278 0.13807 . . . . . . . 99 VAL . 25025 1 59 . 1 1 100 100 ILE N N 15 . 1 1 100 100 ILE H H 1 0.880414 0.16602 . . . . . . . 100 ILE . 25025 1 60 . 1 1 105 105 GLN N N 15 . 1 1 105 105 GLN H H 1 0.61786 0.14553 . . . . . . . 105 GLN . 25025 1 61 . 1 1 109 109 ARG N N 15 . 1 1 109 109 ARG H H 1 0.72641 0.14584 . . . . . . . 109 ARG . 25025 1 62 . 1 1 110 110 GLU N N 15 . 1 1 110 110 GLU H H 1 0.715685 0.09092 . . . . . . . 110 GLU . 25025 1 63 . 1 1 113 113 LYS N N 15 . 1 1 113 113 LYS H H 1 0.711322 0.0803 . . . . . . . 113 LYS . 25025 1 64 . 1 1 115 115 ALA N N 15 . 1 1 115 115 ALA H H 1 0.796561 0.1196 . . . . . . . 115 ALA . 25025 1 65 . 1 1 117 117 GLN N N 15 . 1 1 117 117 GLN H H 1 0.76968 0.09632 . . . . . . . 117 GLN . 25025 1 66 . 1 1 118 118 ARG N N 15 . 1 1 118 118 ARG H H 1 0.74623 0.0754 . . . . . . . 118 ARG . 25025 1 67 . 1 1 120 120 PHE N N 15 . 1 1 120 120 PHE H H 1 0.683175 0.09575 . . . . . . . 120 PHE . 25025 1 68 . 1 1 121 121 ALA N N 15 . 1 1 121 121 ALA H H 1 0.753824 0.12648 . . . . . . . 121 ALA . 25025 1 69 . 1 1 128 128 ARG N N 15 . 1 1 128 128 ARG H H 1 0.723991 0.10936 . . . . . . . 128 ARG . 25025 1 70 . 1 1 129 129 LYS N N 15 . 1 1 129 129 LYS H H 1 0.707949 0.11964 . . . . . . . 129 LYS . 25025 1 71 . 1 1 130 130 ALA N N 15 . 1 1 130 130 ALA H H 1 0.813879 0.11059 . . . . . . . 130 ALA . 25025 1 72 . 1 1 131 131 TRP N N 15 . 1 1 131 131 TRP H H 1 0.753753 0.10285 . . . . . . . 131 TRP . 25025 1 73 . 1 1 132 132 ALA N N 15 . 1 1 132 132 ALA H H 1 0.802604 0.14497 . . . . . . . 132 ALA . 25025 1 74 . 1 1 133 133 SER N N 15 . 1 1 133 133 SER H H 1 0.838802 0.08303 . . . . . . . 133 SER . 25025 1 75 . 1 1 134 134 GLY N N 15 . 1 1 134 134 GLY H H 1 0.77371 0.11825 . . . . . . . 134 GLY . 25025 1 76 . 1 1 135 135 GLN N N 15 . 1 1 135 135 GLN H H 1 0.849646 0.12855 . . . . . . . 135 GLN . 25025 1 77 . 1 1 136 136 SER N N 15 . 1 1 136 136 SER H H 1 0.744277 0.06651 . . . . . . . 136 SER . 25025 1 78 . 1 1 139 139 LEU N N 15 . 1 1 139 139 LEU H H 1 0.87979 0.142 . . . . . . . 139 LEU . 25025 1 79 . 1 1 141 141 GLY N N 15 . 1 1 141 141 GLY H H 1 0.847021 0.12892 . . . . . . . 141 GLY . 25025 1 80 . 1 1 143 143 LEU N N 15 . 1 1 143 143 LEU H H 1 0.802059 0.10781 . . . . . . . 143 LEU . 25025 1 81 . 1 1 144 144 LEU N N 15 . 1 1 144 144 LEU H H 1 0.746487 0.11754 . . . . . . . 144 LEU . 25025 1 82 . 1 1 145 145 LEU N N 15 . 1 1 145 145 LEU H H 1 0.803323 0.14544 . . . . . . . 145 LEU . 25025 1 83 . 1 1 146 146 LEU N N 15 . 1 1 146 146 LEU H H 1 0.756604 0.12401 . . . . . . . 146 LEU . 25025 1 84 . 1 1 147 147 LEU N N 15 . 1 1 147 147 LEU H H 1 0.528603 0.06364 . . . . . . . 147 LEU . 25025 1 85 . 1 1 148 148 GLU N N 15 . 1 1 148 148 GLU H H 1 0.809583 0.12042 . . . . . . . 148 GLU . 25025 1 86 . 1 1 149 149 ALA N N 15 . 1 1 149 149 ALA H H 1 0.815669 0.11767 . . . . . . . 149 ALA . 25025 1 87 . 1 1 151 151 GLY N N 15 . 1 1 151 151 GLY H H 1 0.778736 0.11689 . . . . . . . 151 GLY . 25025 1 88 . 1 1 152 152 LEU N N 15 . 1 1 152 152 LEU H H 1 0.672538 0.04841 . . . . . . . 152 LEU . 25025 1 89 . 1 1 153 153 GLY N N 15 . 1 1 153 153 GLY H H 1 0.816327 0.13999 . . . . . . . 153 GLY . 25025 1 90 . 1 1 154 154 SER N N 15 . 1 1 154 154 SER H H 1 0.738336 0.13798 . . . . . . . 154 SER . 25025 1 91 . 1 1 155 155 VAL N N 15 . 1 1 155 155 VAL H H 1 0.748065 0.14275 . . . . . . . 155 VAL . 25025 1 92 . 1 1 166 166 ARG N N 15 . 1 1 166 166 ARG H H 1 0.785816 0.10957 . . . . . . . 166 ARG . 25025 1 93 . 1 1 168 168 ILE N N 15 . 1 1 168 168 ILE H H 1 0.675887 0.09408 . . . . . . . 168 ILE . 25025 1 94 . 1 1 169 169 LEU N N 15 . 1 1 169 169 LEU H H 1 0.874288 0.13102 . . . . . . . 169 LEU . 25025 1 95 . 1 1 170 170 GLY N N 15 . 1 1 170 170 GLY H H 1 0.757763 0.1028 . . . . . . . 170 GLY . 25025 1 96 . 1 1 175 175 ALA N N 15 . 1 1 175 175 ALA H H 1 0.719453 0.09792 . . . . . . . 175 ALA . 25025 1 97 . 1 1 180 180 LEU N N 15 . 1 1 180 180 LEU H H 1 0.70328 0.04646 . . . . . . . 180 LEU . 25025 1 98 . 1 1 181 181 VAL N N 15 . 1 1 181 181 VAL H H 1 0.762579 0.1199 . . . . . . . 181 VAL . 25025 1 99 . 1 1 182 182 ALA N N 15 . 1 1 182 182 ALA H H 1 0.79518 0.13141 . . . . . . . 182 ALA . 25025 1 100 . 1 1 183 183 LEU N N 15 . 1 1 183 183 LEU H H 1 0.73282 0.09642 . . . . . . . 183 LEU . 25025 1 101 . 1 1 184 184 GLY N N 15 . 1 1 184 184 GLY H H 1 0.783694 0.13535 . . . . . . . 184 GLY . 25025 1 102 . 1 1 185 185 TYR N N 15 . 1 1 185 185 TYR H H 1 0.89495 0.14508 . . . . . . . 185 TYR . 25025 1 103 . 1 1 187 187 ALA N N 15 . 1 1 187 187 ALA H H 1 0.850402 0.17876 . . . . . . . 187 ALA . 25025 1 104 . 1 1 188 188 GLU N N 15 . 1 1 188 188 GLU H H 1 0.727047 0.09013 . . . . . . . 188 GLU . 25025 1 105 . 1 1 190 190 GLY N N 15 . 1 1 190 190 GLY H H 1 0.733552 0.11211 . . . . . . . 190 GLY . 25025 1 106 . 1 1 191 191 TYR N N 15 . 1 1 191 191 TYR H H 1 0.687804 0.08449 . . . . . . . 191 TYR . 25025 1 107 . 1 1 193 193 SER N N 15 . 1 1 193 193 SER H H 1 0.530087 0.08906 . . . . . . . 193 SER . 25025 1 108 . 1 1 196 196 LEU N N 15 . 1 1 196 196 LEU H H 1 0.856239 0.18618 . . . . . . . 196 LEU . 25025 1 109 . 1 1 199 199 GLU N N 15 . 1 1 199 199 GLU H H 1 0.775084 0.10071 . . . . . . . 199 GLU . 25025 1 110 . 1 1 200 200 ARG N N 15 . 1 1 200 200 ARG H H 1 0.683358 0.06873 . . . . . . . 200 ARG . 25025 1 111 . 1 1 201 201 VAL N N 15 . 1 1 201 201 VAL H H 1 0.802412 0.13403 . . . . . . . 201 VAL . 25025 1 112 . 1 1 202 202 VAL N N 15 . 1 1 202 202 VAL H H 1 0.732701 0.09442 . . . . . . . 202 VAL . 25025 1 113 . 1 1 203 203 LEU N N 15 . 1 1 203 203 LEU H H 1 0.834641 0.14348 . . . . . . . 203 LEU . 25025 1 114 . 1 1 204 204 TRP N N 15 . 1 1 204 204 TRP H H 1 0.776831 0.11963 . . . . . . . 204 TRP . 25025 1 115 . 1 1 205 205 ARG N N 15 . 1 1 205 205 ARG H H 1 0.644821 0.11801 . . . . . . . 205 ARG . 25025 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 25025 _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 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 . _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 8 {1H}NOE . . . 25025 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 9 9 ASP N N 15 . 1 1 9 9 ASP H H 1 0.835513 0.03979 . . . . . . . 9 ASP . 25025 2 2 . 1 1 11 11 LYS N N 15 . 1 1 11 11 LYS H H 1 0.894946 0.05899 . . . . . . . 11 LYS . 25025 2 3 . 1 1 12 12 THR N N 15 . 1 1 12 12 THR H H 1 0.886556 0.05327 . . . . . . . 12 THR . 25025 2 4 . 1 1 13 13 ALA N N 15 . 1 1 13 13 ALA H H 1 0.876751 0.04543 . . . . . . . 13 ALA . 25025 2 5 . 1 1 14 14 ALA N N 15 . 1 1 14 14 ALA H H 1 0.834763 0.03917 . . . . . . . 14 ALA . 25025 2 6 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.825678 0.04634 . . . . . . . 15 LEU . 25025 2 7 . 1 1 16 16 LYS N N 15 . 1 1 16 16 LYS H H 1 0.811645 0.05264 . . . . . . . 16 LYS . 25025 2 8 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.825671 0.01743 . . . . . . . 17 ARG . 25025 2 9 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.778228 0.08371 . . . . . . . 19 SER . 25025 2 10 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.934062 0.08096 . . . . . . . 20 ILE . 25025 2 11 . 1 1 21 21 ARG N N 15 . 1 1 21 21 ARG H H 1 0.816965 0.07027 . . . . . . . 21 ARG . 25025 2 12 . 1 1 22 22 ARG N N 15 . 1 1 22 22 ARG H H 1 0.786924 0.04726 . . . . . . . 22 ARG . 25025 2 13 . 1 1 23 23 TYR N N 15 . 1 1 23 23 TYR H H 1 0.774774 0.04057 . . . . . . . 23 TYR . 25025 2 14 . 1 1 24 24 ARG N N 15 . 1 1 24 24 ARG H H 1 0.871285 0.05957 . . . . . . . 24 ARG . 25025 2 15 . 1 1 26 26 ASP N N 15 . 1 1 26 26 ASP H H 1 0.882974 0.05994 . . . . . . . 26 ASP . 25025 2 16 . 1 1 28 28 VAL N N 15 . 1 1 28 28 VAL H H 1 0.710722 0.03145 . . . . . . . 28 VAL . 25025 2 17 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.833581 0.04594 . . . . . . . 32 LEU . 25025 2 18 . 1 1 34 34 ARG N N 15 . 1 1 34 34 ARG H H 1 0.837569 0.0484 . . . . . . . 34 ARG . 25025 2 19 . 1 1 40 40 ALA N N 15 . 1 1 40 40 ALA H H 1 0.824994 0.0373 . . . . . . . 40 ALA . 25025 2 20 . 1 1 42 42 ARG N N 15 . 1 1 42 42 ARG H H 1 0.782817 0.04029 . . . . . . . 42 ARG . 25025 2 21 . 1 1 43 43 ALA N N 15 . 1 1 43 43 ALA H H 1 0.845577 0.04547 . . . . . . . 43 ALA . 25025 2 22 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.893379 0.06016 . . . . . . . 45 SER . 25025 2 23 . 1 1 48 48 ASN N N 15 . 1 1 48 48 ASN H H 1 0.888362 0.05235 . . . . . . . 48 ASN . 25025 2 24 . 1 1 50 50 GLN N N 15 . 1 1 50 50 GLN H H 1 0.833647 0.05177 . . . . . . . 50 GLN . 25025 2 25 . 1 1 52 52 TRP N N 15 . 1 1 52 52 TRP H H 1 0.864168 0.03463 . . . . . . . 52 TRP . 25025 2 26 . 1 1 54 54 ILE N N 15 . 1 1 54 54 ILE H H 1 0.873515 0.04429 . . . . . . . 54 ILE . 25025 2 27 . 1 1 55 55 VAL N N 15 . 1 1 55 55 VAL H H 1 0.808848 0.05162 . . . . . . . 55 VAL . 25025 2 28 . 1 1 56 56 VAL N N 15 . 1 1 56 56 VAL H H 1 0.980947 0.06764 . . . . . . . 56 VAL . 25025 2 29 . 1 1 57 57 VAL N N 15 . 1 1 57 57 VAL H H 1 0.804773 0.04494 . . . . . . . 57 VAL . 25025 2 30 . 1 1 58 58 ARG N N 15 . 1 1 58 58 ARG H H 1 0.966914 0.08126 . . . . . . . 58 ARG . 25025 2 31 . 1 1 62 62 THR N N 15 . 1 1 62 62 THR H H 1 0.850682 0.02301 . . . . . . . 62 THR . 25025 2 32 . 1 1 63 63 LYS N N 15 . 1 1 63 63 LYS H H 1 0.720787 0.02933 . . . . . . . 63 LYS . 25025 2 33 . 1 1 64 64 ARG N N 15 . 1 1 64 64 ARG H H 1 0.863154 0.03536 . . . . . . . 64 ARG . 25025 2 34 . 1 1 65 65 ALA N N 15 . 1 1 65 65 ALA H H 1 0.837743 0.04054 . . . . . . . 65 ALA . 25025 2 35 . 1 1 66 66 LEU N N 15 . 1 1 66 66 LEU H H 1 0.855847 0.04136 . . . . . . . 66 LEU . 25025 2 36 . 1 1 67 67 ARG N N 15 . 1 1 67 67 ARG H H 1 0.839616 0.05355 . . . . . . . 67 ARG . 25025 2 37 . 1 1 70 70 ALA N N 15 . 1 1 70 70 ALA H H 1 0.794308 0.03521 . . . . . . . 70 ALA . 25025 2 38 . 1 1 71 71 PHE N N 15 . 1 1 71 71 PHE H H 1 0.818604 0.03995 . . . . . . . 71 PHE . 25025 2 39 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.883468 0.0602 . . . . . . . 72 GLY . 25025 2 40 . 1 1 73 73 GLN N N 15 . 1 1 73 73 GLN H H 1 0.92259 0.05111 . . . . . . . 73 GLN . 25025 2 41 . 1 1 74 74 ALA N N 15 . 1 1 74 74 ALA H H 1 0.773482 0.06171 . . . . . . . 74 ALA . 25025 2 42 . 1 1 75 75 HIS N N 15 . 1 1 75 75 HIS H H 1 0.764659 0.04194 . . . . . . . 75 HIS . 25025 2 43 . 1 1 76 76 VAL N N 15 . 1 1 76 76 VAL H H 1 0.926934 0.06358 . . . . . . . 76 VAL . 25025 2 44 . 1 1 78 78 GLU N N 15 . 1 1 78 78 GLU H H 1 0.793493 0.03694 . . . . . . . 78 GLU . 25025 2 45 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.834486 0.02328 . . . . . . . 79 ALA . 25025 2 46 . 1 1 81 81 VAL N N 15 . 1 1 81 81 VAL H H 1 0.844732 0.03714 . . . . . . . 81 VAL . 25025 2 47 . 1 1 82 82 VAL N N 15 . 1 1 82 82 VAL H H 1 0.843103 0.05234 . . . . . . . 82 VAL . 25025 2 48 . 1 1 85 85 LEU N N 15 . 1 1 85 85 LEU H H 1 0.83026 0.04874 . . . . . . . 85 LEU . 25025 2 49 . 1 1 86 86 TYR N N 15 . 1 1 86 86 TYR H H 1 0.822963 0.04246 . . . . . . . 86 TYR . 25025 2 50 . 1 1 87 87 ALA N N 15 . 1 1 87 87 ALA H H 1 0.817902 0.04992 . . . . . . . 87 ALA . 25025 2 51 . 1 1 89 89 LEU N N 15 . 1 1 89 89 LEU H H 1 0.745822 0.05089 . . . . . . . 89 LEU . 25025 2 52 . 1 1 90 90 GLU N N 15 . 1 1 90 90 GLU H H 1 0.760005 0.03423 . . . . . . . 90 GLU . 25025 2 53 . 1 1 91 91 ASP N N 15 . 1 1 91 91 ASP H H 1 0.88363 0.03842 . . . . . . . 91 ASP . 25025 2 54 . 1 1 93 93 LEU N N 15 . 1 1 93 93 LEU H H 1 0.876477 0.05433 . . . . . . . 93 LEU . 25025 2 55 . 1 1 95 95 HIS N N 15 . 1 1 95 95 HIS H H 1 0.757819 0.03764 . . . . . . . 95 HIS . 25025 2 56 . 1 1 96 96 LEU N N 15 . 1 1 96 96 LEU H H 1 0.725902 0.04725 . . . . . . . 96 LEU . 25025 2 57 . 1 1 98 98 GLU N N 15 . 1 1 98 98 GLU H H 1 0.783823 0.03595 . . . . . . . 98 GLU . 25025 2 58 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 0.844209 0.05058 . . . . . . . 99 VAL . 25025 2 59 . 1 1 100 100 ILE N N 15 . 1 1 100 100 ILE H H 1 0.702421 0.04825 . . . . . . . 100 ILE . 25025 2 60 . 1 1 105 105 GLN N N 15 . 1 1 105 105 GLN H H 1 0.698106 0.05377 . . . . . . . 105 GLN . 25025 2 61 . 1 1 109 109 ARG N N 15 . 1 1 109 109 ARG H H 1 0.758685 0.04719 . . . . . . . 109 ARG . 25025 2 62 . 1 1 110 110 GLU N N 15 . 1 1 110 110 GLU H H 1 0.762585 0.03511 . . . . . . . 110 GLU . 25025 2 63 . 1 1 113 113 LYS N N 15 . 1 1 113 113 LYS H H 1 0.885986 0.04276 . . . . . . . 113 LYS . 25025 2 64 . 1 1 115 115 ALA N N 15 . 1 1 115 115 ALA H H 1 0.785558 0.03995 . . . . . . . 115 ALA . 25025 2 65 . 1 1 117 117 GLN N N 15 . 1 1 117 117 GLN H H 1 0.856712 0.04185 . . . . . . . 117 GLN . 25025 2 66 . 1 1 118 118 ARG N N 15 . 1 1 118 118 ARG H H 1 0.771738 0.03818 . . . . . . . 118 ARG . 25025 2 67 . 1 1 120 120 PHE N N 15 . 1 1 120 120 PHE H H 1 0.716384 0.0348 . . . . . . . 120 PHE . 25025 2 68 . 1 1 121 121 ALA N N 15 . 1 1 121 121 ALA H H 1 0.781179 0.03918 . . . . . . . 121 ALA . 25025 2 69 . 1 1 128 128 ARG N N 15 . 1 1 128 128 ARG H H 1 0.884509 0.05265 . . . . . . . 128 ARG . 25025 2 70 . 1 1 129 129 LYS N N 15 . 1 1 129 129 LYS H H 1 0.8097 0.04054 . . . . . . . 129 LYS . 25025 2 71 . 1 1 130 130 ALA N N 15 . 1 1 130 130 ALA H H 1 0.83983 0.0399 . . . . . . . 130 ALA . 25025 2 72 . 1 1 131 131 TRP N N 15 . 1 1 131 131 TRP H H 1 0.817806 0.04507 . . . . . . . 131 TRP . 25025 2 73 . 1 1 132 132 ALA N N 15 . 1 1 132 132 ALA H H 1 0.882192 0.0561 . . . . . . . 132 ALA . 25025 2 74 . 1 1 133 133 SER N N 15 . 1 1 133 133 SER H H 1 0.827814 0.04286 . . . . . . . 133 SER . 25025 2 75 . 1 1 134 134 GLY N N 15 . 1 1 134 134 GLY H H 1 0.850448 0.04656 . . . . . . . 134 GLY . 25025 2 76 . 1 1 135 135 GLN N N 15 . 1 1 135 135 GLN H H 1 0.962538 0.05435 . . . . . . . 135 GLN . 25025 2 77 . 1 1 136 136 SER N N 15 . 1 1 136 136 SER H H 1 0.831854 0.04182 . . . . . . . 136 SER . 25025 2 78 . 1 1 139 139 LEU N N 15 . 1 1 139 139 LEU H H 1 0.892853 0.04891 . . . . . . . 139 LEU . 25025 2 79 . 1 1 141 141 GLY N N 15 . 1 1 141 141 GLY H H 1 0.835933 0.04306 . . . . . . . 141 GLY . 25025 2 80 . 1 1 143 143 LEU N N 15 . 1 1 143 143 LEU H H 1 0.840863 0.04778 . . . . . . . 143 LEU . 25025 2 81 . 1 1 144 144 LEU N N 15 . 1 1 144 144 LEU H H 1 0.862348 0.05733 . . . . . . . 144 LEU . 25025 2 82 . 1 1 145 145 LEU N N 15 . 1 1 145 145 LEU H H 1 0.839847 0.05302 . . . . . . . 145 LEU . 25025 2 83 . 1 1 146 146 LEU N N 15 . 1 1 146 146 LEU H H 1 0.830626 0.05134 . . . . . . . 146 LEU . 25025 2 84 . 1 1 147 147 LEU N N 15 . 1 1 147 147 LEU H H 1 0.845154 0.0526 . . . . . . . 147 LEU . 25025 2 85 . 1 1 148 148 GLU N N 15 . 1 1 148 148 GLU H H 1 0.925511 0.04539 . . . . . . . 148 GLU . 25025 2 86 . 1 1 149 149 ALA N N 15 . 1 1 149 149 ALA H H 1 0.788928 0.04616 . . . . . . . 149 ALA . 25025 2 87 . 1 1 151 151 GLY N N 15 . 1 1 151 151 GLY H H 1 0.861918 0.04792 . . . . . . . 151 GLY . 25025 2 88 . 1 1 152 152 LEU N N 15 . 1 1 152 152 LEU H H 1 0.785396 0.03392 . . . . . . . 152 LEU . 25025 2 89 . 1 1 153 153 GLY N N 15 . 1 1 153 153 GLY H H 1 0.771728 0.04557 . . . . . . . 153 GLY . 25025 2 90 . 1 1 154 154 SER N N 15 . 1 1 154 154 SER H H 1 0.825421 0.05714 . . . . . . . 154 SER . 25025 2 91 . 1 1 155 155 VAL N N 15 . 1 1 155 155 VAL H H 1 0.837094 0.0491 . . . . . . . 155 VAL . 25025 2 92 . 1 1 166 166 ARG N N 15 . 1 1 166 166 ARG H H 1 0.798724 0.04131 . . . . . . . 166 ARG . 25025 2 93 . 1 1 168 168 ILE N N 15 . 1 1 168 168 ILE H H 1 0.908521 0.05319 . . . . . . . 168 ILE . 25025 2 94 . 1 1 169 169 LEU N N 15 . 1 1 169 169 LEU H H 1 0.855535 0.05095 . . . . . . . 169 LEU . 25025 2 95 . 1 1 170 170 GLY N N 15 . 1 1 170 170 GLY H H 1 0.838892 0.03841 . . . . . . . 170 GLY . 25025 2 96 . 1 1 175 175 ALA N N 15 . 1 1 175 175 ALA H H 1 0.807739 0.03819 . . . . . . . 175 ALA . 25025 2 97 . 1 1 180 180 LEU N N 15 . 1 1 180 180 LEU H H 1 0.783601 0.03736 . . . . . . . 180 LEU . 25025 2 98 . 1 1 181 181 VAL N N 15 . 1 1 181 181 VAL H H 1 0.750448 0.04468 . . . . . . . 181 VAL . 25025 2 99 . 1 1 182 182 ALA N N 15 . 1 1 182 182 ALA H H 1 0.887933 0.0513 . . . . . . . 182 ALA . 25025 2 100 . 1 1 183 183 LEU N N 15 . 1 1 183 183 LEU H H 1 0.859291 0.04465 . . . . . . . 183 LEU . 25025 2 101 . 1 1 184 184 GLY N N 15 . 1 1 184 184 GLY H H 1 0.855202 0.04935 . . . . . . . 184 GLY . 25025 2 102 . 1 1 185 185 TYR N N 15 . 1 1 185 185 TYR H H 1 0.874915 0.05445 . . . . . . . 185 TYR . 25025 2 103 . 1 1 187 187 ALA N N 15 . 1 1 187 187 ALA H H 1 0.87931 0.06232 . . . . . . . 187 ALA . 25025 2 104 . 1 1 188 188 GLU N N 15 . 1 1 188 188 GLU H H 1 0.7825 0.03025 . . . . . . . 188 GLU . 25025 2 105 . 1 1 190 190 GLY N N 15 . 1 1 190 190 GLY H H 1 0.737456 0.03771 . . . . . . . 190 GLY . 25025 2 106 . 1 1 191 191 TYR N N 15 . 1 1 191 191 TYR H H 1 0.691924 0.0298 . . . . . . . 191 TYR . 25025 2 107 . 1 1 193 193 SER N N 15 . 1 1 193 193 SER H H 1 0.658108 0.03636 . . . . . . . 193 SER . 25025 2 108 . 1 1 196 196 LEU N N 15 . 1 1 196 196 LEU H H 1 0.766099 0.0632 . . . . . . . 196 LEU . 25025 2 109 . 1 1 199 199 GLU N N 15 . 1 1 199 199 GLU H H 1 0.822565 0.03807 . . . . . . . 199 GLU . 25025 2 110 . 1 1 200 200 ARG N N 15 . 1 1 200 200 ARG H H 1 0.826287 0.04204 . . . . . . . 200 ARG . 25025 2 111 . 1 1 201 201 VAL N N 15 . 1 1 201 201 VAL H H 1 0.777054 0.05128 . . . . . . . 201 VAL . 25025 2 112 . 1 1 202 202 VAL N N 15 . 1 1 202 202 VAL H H 1 0.788235 0.03644 . . . . . . . 202 VAL . 25025 2 113 . 1 1 203 203 LEU N N 15 . 1 1 203 203 LEU H H 1 0.852802 0.05157 . . . . . . . 203 LEU . 25025 2 114 . 1 1 204 204 TRP N N 15 . 1 1 204 204 TRP H H 1 0.805427 0.04209 . . . . . . . 204 TRP . 25025 2 115 . 1 1 205 205 ARG N N 15 . 1 1 205 205 ARG H H 1 0.796204 0.05077 . . . . . . . 205 ARG . 25025 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 25025 _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 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 . _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 16 {1H}NOE . . . 25025 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 9 9 ASP N N 15 . 1 1 9 9 ASP H H 1 0.885425 0.08025 . . . . . . . 9 ASP . 25025 3 2 . 1 1 13 13 ALA N N 15 . 1 1 13 13 ALA H H 1 0.782832 0.06223 . . . . . . . 13 ALA . 25025 3 3 . 1 1 14 14 ALA N N 15 . 1 1 14 14 ALA H H 1 1.018188 0.09628 . . . . . . . 14 ALA . 25025 3 4 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 1.009094 0.10644 . . . . . . . 15 LEU . 25025 3 5 . 1 1 16 16 LYS N N 15 . 1 1 16 16 LYS H H 1 0.753019 0.10508 . . . . . . . 16 LYS . 25025 3 6 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.874147 0.09739 . . . . . . . 17 ARG . 25025 3 7 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.784512 0.11758 . . . . . . . 20 ILE . 25025 3 8 . 1 1 23 23 TYR N N 15 . 1 1 23 23 TYR H H 1 0.910675 0.05268 . . . . . . . 23 TYR . 25025 3 9 . 1 1 24 24 ARG N N 15 . 1 1 24 24 ARG H H 1 1.110861 0.18171 . . . . . . . 24 ARG . 25025 3 10 . 1 1 26 26 ASP N N 15 . 1 1 26 26 ASP H H 1 0.881682 0.13575 . . . . . . . 26 ASP . 25025 3 11 . 1 1 28 28 VAL N N 15 . 1 1 28 28 VAL H H 1 0.680595 0.07923 . . . . . . . 28 VAL . 25025 3 12 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.765612 0.08345 . . . . . . . 32 LEU . 25025 3 13 . 1 1 34 34 ARG N N 15 . 1 1 34 34 ARG H H 1 0.817578 0.09183 . . . . . . . 34 ARG . 25025 3 14 . 1 1 40 40 ALA N N 15 . 1 1 40 40 ALA H H 1 0.527391 0.06577 . . . . . . . 40 ALA . 25025 3 15 . 1 1 42 42 ARG N N 15 . 1 1 42 42 ARG H H 1 0.831929 0.09518 . . . . . . . 42 ARG . 25025 3 16 . 1 1 43 43 ALA N N 15 . 1 1 43 43 ALA H H 1 0.712939 0.06337 . . . . . . . 43 ALA . 25025 3 17 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.739783 0.08352 . . . . . . . 45 SER . 25025 3 18 . 1 1 48 48 ASN N N 15 . 1 1 48 48 ASN H H 1 0.858278 0.09507 . . . . . . . 48 ASN . 25025 3 19 . 1 1 50 50 GLN N N 15 . 1 1 50 50 GLN H H 1 1.054095 0.16361 . . . . . . . 50 GLN . 25025 3 20 . 1 1 52 52 TRP N N 15 . 1 1 52 52 TRP H H 1 0.878715 0.06742 . . . . . . . 52 TRP . 25025 3 21 . 1 1 54 54 ILE N N 15 . 1 1 54 54 ILE H H 1 0.822385 0.08442 . . . . . . . 54 ILE . 25025 3 22 . 1 1 55 55 VAL N N 15 . 1 1 55 55 VAL H H 1 0.962051 0.10568 . . . . . . . 55 VAL . 25025 3 23 . 1 1 56 56 VAL N N 15 . 1 1 56 56 VAL H H 1 0.918418 0.12206 . . . . . . . 56 VAL . 25025 3 24 . 1 1 57 57 VAL N N 15 . 1 1 57 57 VAL H H 1 0.787783 0.10771 . . . . . . . 57 VAL . 25025 3 25 . 1 1 62 62 THR N N 15 . 1 1 62 62 THR H H 1 0.898497 0.04717 . . . . . . . 62 THR . 25025 3 26 . 1 1 63 63 LYS N N 15 . 1 1 63 63 LYS H H 1 0.951721 0.07248 . . . . . . . 63 LYS . 25025 3 27 . 1 1 64 64 ARG N N 15 . 1 1 64 64 ARG H H 1 0.84163 0.06749 . . . . . . . 64 ARG . 25025 3 28 . 1 1 65 65 ALA N N 15 . 1 1 65 65 ALA H H 1 0.864733 0.08646 . . . . . . . 65 ALA . 25025 3 29 . 1 1 66 66 LEU N N 15 . 1 1 66 66 LEU H H 1 0.841621 0.12207 . . . . . . . 66 LEU . 25025 3 30 . 1 1 67 67 ARG N N 15 . 1 1 67 67 ARG H H 1 0.843055 0.0751 . . . . . . . 67 ARG . 25025 3 31 . 1 1 70 70 ALA N N 15 . 1 1 70 70 ALA H H 1 0.818341 0.09956 . . . . . . . 70 ALA . 25025 3 32 . 1 1 76 76 VAL N N 15 . 1 1 76 76 VAL H H 1 0.661684 0.09982 . . . . . . . 76 VAL . 25025 3 33 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.682575 0.06826 . . . . . . . 79 ALA . 25025 3 34 . 1 1 81 81 VAL N N 15 . 1 1 81 81 VAL H H 1 0.746405 0.08171 . . . . . . . 81 VAL . 25025 3 35 . 1 1 82 82 VAL N N 15 . 1 1 82 82 VAL H H 1 0.887345 0.13309 . . . . . . . 82 VAL . 25025 3 36 . 1 1 85 85 LEU N N 15 . 1 1 85 85 LEU H H 1 0.751752 0.09564 . . . . . . . 85 LEU . 25025 3 37 . 1 1 86 86 TYR N N 15 . 1 1 86 86 TYR H H 1 0.870434 0.10116 . . . . . . . 86 TYR . 25025 3 38 . 1 1 87 87 ALA N N 15 . 1 1 87 87 ALA H H 1 0.964447 0.0939 . . . . . . . 87 ALA . 25025 3 39 . 1 1 89 89 LEU N N 15 . 1 1 89 89 LEU H H 1 0.906127 0.13928 . . . . . . . 89 LEU . 25025 3 40 . 1 1 90 90 GLU N N 15 . 1 1 90 90 GLU H H 1 0.963784 0.10929 . . . . . . . 90 GLU . 25025 3 41 . 1 1 91 91 ASP N N 15 . 1 1 91 91 ASP H H 1 0.926081 0.07673 . . . . . . . 91 ASP . 25025 3 42 . 1 1 93 93 LEU N N 15 . 1 1 93 93 LEU H H 1 0.709822 0.07422 . . . . . . . 93 LEU . 25025 3 43 . 1 1 95 95 HIS N N 15 . 1 1 95 95 HIS H H 1 0.757573 0.06892 . . . . . . . 95 HIS . 25025 3 44 . 1 1 96 96 LEU N N 15 . 1 1 96 96 LEU H H 1 0.892704 0.21925 . . . . . . . 96 LEU . 25025 3 45 . 1 1 98 98 GLU N N 15 . 1 1 98 98 GLU H H 1 0.721644 0.12234 . . . . . . . 98 GLU . 25025 3 46 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 1.117228 0.16018 . . . . . . . 99 VAL . 25025 3 47 . 1 1 100 100 ILE N N 15 . 1 1 100 100 ILE H H 1 0.717694 0.16148 . . . . . . . 100 ILE . 25025 3 48 . 1 1 110 110 GLU N N 15 . 1 1 110 110 GLU H H 1 0.948345 0.12706 . . . . . . . 110 GLU . 25025 3 49 . 1 1 113 113 LYS N N 15 . 1 1 113 113 LYS H H 1 0.980709 0.11299 . . . . . . . 113 LYS . 25025 3 50 . 1 1 115 115 ALA N N 15 . 1 1 115 115 ALA H H 1 0.77391 0.05892 . . . . . . . 115 ALA . 25025 3 51 . 1 1 117 117 GLN N N 15 . 1 1 117 117 GLN H H 1 0.913206 0.14019 . . . . . . . 117 GLN . 25025 3 52 . 1 1 118 118 ARG N N 15 . 1 1 118 118 ARG H H 1 0.724937 0.06324 . . . . . . . 118 ARG . 25025 3 53 . 1 1 120 120 PHE N N 15 . 1 1 120 120 PHE H H 1 0.687183 0.0763 . . . . . . . 120 PHE . 25025 3 54 . 1 1 121 121 ALA N N 15 . 1 1 121 121 ALA H H 1 0.819494 0.08178 . . . . . . . 121 ALA . 25025 3 55 . 1 1 128 128 ARG N N 15 . 1 1 128 128 ARG H H 1 0.718141 0.08955 . . . . . . . 128 ARG . 25025 3 56 . 1 1 129 129 LYS N N 15 . 1 1 129 129 LYS H H 1 0.838711 0.12798 . . . . . . . 129 LYS . 25025 3 57 . 1 1 130 130 ALA N N 15 . 1 1 130 130 ALA H H 1 0.772807 0.06586 . . . . . . . 130 ALA . 25025 3 58 . 1 1 131 131 TRP N N 15 . 1 1 131 131 TRP H H 1 0.601111 0.05852 . . . . . . . 131 TRP . 25025 3 59 . 1 1 132 132 ALA N N 15 . 1 1 132 132 ALA H H 1 0.757643 0.0987 . . . . . . . 132 ALA . 25025 3 60 . 1 1 133 133 SER N N 15 . 1 1 133 133 SER H H 1 0.702029 0.08297 . . . . . . . 133 SER . 25025 3 61 . 1 1 134 134 GLY N N 15 . 1 1 134 134 GLY H H 1 0.848253 0.08539 . . . . . . . 134 GLY . 25025 3 62 . 1 1 135 135 GLN N N 15 . 1 1 135 135 GLN H H 1 0.975253 0.1184 . . . . . . . 135 GLN . 25025 3 63 . 1 1 136 136 SER N N 15 . 1 1 136 136 SER H H 1 0.896037 0.09293 . . . . . . . 136 SER . 25025 3 64 . 1 1 141 141 GLY N N 15 . 1 1 141 141 GLY H H 1 1.004688 0.09852 . . . . . . . 141 GLY . 25025 3 65 . 1 1 143 143 LEU N N 15 . 1 1 143 143 LEU H H 1 1.420381 0.15643 . . . . . . . 143 LEU . 25025 3 66 . 1 1 144 144 LEU N N 15 . 1 1 144 144 LEU H H 1 1.005088 0.11082 . . . . . . . 144 LEU . 25025 3 67 . 1 1 145 145 LEU N N 15 . 1 1 145 145 LEU H H 1 0.987267 0.09791 . . . . . . . 145 LEU . 25025 3 68 . 1 1 146 146 LEU N N 15 . 1 1 146 146 LEU H H 1 0.802338 0.10858 . . . . . . . 146 LEU . 25025 3 69 . 1 1 147 147 LEU N N 15 . 1 1 147 147 LEU H H 1 0.754562 0.08063 . . . . . . . 147 LEU . 25025 3 70 . 1 1 148 148 GLU N N 15 . 1 1 148 148 GLU H H 1 0.844576 0.09507 . . . . . . . 148 GLU . 25025 3 71 . 1 1 149 149 ALA N N 15 . 1 1 149 149 ALA H H 1 0.976853 0.12256 . . . . . . . 149 ALA . 25025 3 72 . 1 1 151 151 GLY N N 15 . 1 1 151 151 GLY H H 1 0.905992 0.10715 . . . . . . . 151 GLY . 25025 3 73 . 1 1 152 152 LEU N N 15 . 1 1 152 152 LEU H H 1 0.978215 0.07728 . . . . . . . 152 LEU . 25025 3 74 . 1 1 153 153 GLY N N 15 . 1 1 153 153 GLY H H 1 0.86896 0.09758 . . . . . . . 153 GLY . 25025 3 75 . 1 1 154 154 SER N N 15 . 1 1 154 154 SER H H 1 1.569805 0.21909 . . . . . . . 154 SER . 25025 3 76 . 1 1 155 155 VAL N N 15 . 1 1 155 155 VAL H H 1 1.041063 0.15041 . . . . . . . 155 VAL . 25025 3 77 . 1 1 166 166 ARG N N 15 . 1 1 166 166 ARG H H 1 0.944766 0.14327 . . . . . . . 166 ARG . 25025 3 78 . 1 1 168 168 ILE N N 15 . 1 1 168 168 ILE H H 1 0.838637 0.11059 . . . . . . . 168 ILE . 25025 3 79 . 1 1 169 169 LEU N N 15 . 1 1 169 169 LEU H H 1 0.835158 0.10197 . . . . . . . 169 LEU . 25025 3 80 . 1 1 170 170 GLY N N 15 . 1 1 170 170 GLY H H 1 0.920828 0.07638 . . . . . . . 170 GLY . 25025 3 81 . 1 1 175 175 ALA N N 15 . 1 1 175 175 ALA H H 1 0.831043 0.08699 . . . . . . . 175 ALA . 25025 3 82 . 1 1 180 180 LEU N N 15 . 1 1 180 180 LEU H H 1 0.97129 0.07761 . . . . . . . 180 LEU . 25025 3 83 . 1 1 181 181 VAL N N 15 . 1 1 181 181 VAL H H 1 0.987539 0.12434 . . . . . . . 181 VAL . 25025 3 84 . 1 1 182 182 ALA N N 15 . 1 1 182 182 ALA H H 1 0.75059 0.09105 . . . . . . . 182 ALA . 25025 3 85 . 1 1 183 183 LEU N N 15 . 1 1 183 183 LEU H H 1 0.88051 0.11235 . . . . . . . 183 LEU . 25025 3 86 . 1 1 184 184 GLY N N 15 . 1 1 184 184 GLY H H 1 0.808608 0.11551 . . . . . . . 184 GLY . 25025 3 87 . 1 1 185 185 TYR N N 15 . 1 1 185 185 TYR H H 1 1.004466 0.11712 . . . . . . . 185 TYR . 25025 3 88 . 1 1 187 187 ALA N N 15 . 1 1 187 187 ALA H H 1 0.810122 0.10773 . . . . . . . 187 ALA . 25025 3 89 . 1 1 188 188 GLU N N 15 . 1 1 188 188 GLU H H 1 0.74005 0.0632 . . . . . . . 188 GLU . 25025 3 90 . 1 1 190 190 GLY N N 15 . 1 1 190 190 GLY H H 1 0.69688 0.07118 . . . . . . . 190 GLY . 25025 3 91 . 1 1 191 191 TYR N N 15 . 1 1 191 191 TYR H H 1 0.675407 0.06641 . . . . . . . 191 TYR . 25025 3 92 . 1 1 199 199 GLU N N 15 . 1 1 199 199 GLU H H 1 0.826405 0.08174 . . . . . . . 199 GLU . 25025 3 93 . 1 1 200 200 ARG N N 15 . 1 1 200 200 ARG H H 1 0.733144 0.06454 . . . . . . . 200 ARG . 25025 3 94 . 1 1 201 201 VAL N N 15 . 1 1 201 201 VAL H H 1 0.936913 0.11724 . . . . . . . 201 VAL . 25025 3 95 . 1 1 202 202 VAL N N 15 . 1 1 202 202 VAL H H 1 0.790281 0.06059 . . . . . . . 202 VAL . 25025 3 96 . 1 1 203 203 LEU N N 15 . 1 1 203 203 LEU H H 1 0.723385 0.09423 . . . . . . . 203 LEU . 25025 3 97 . 1 1 204 204 TRP N N 15 . 1 1 204 204 TRP H H 1 0.691917 0.07687 . . . . . . . 204 TRP . 25025 3 98 . 1 1 205 205 ARG N N 15 . 1 1 205 205 ARG H H 1 0.838632 0.09301 . . . . . . . 205 ARG . 25025 3 stop_ save_