############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 50284 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name 'P-galectin-3C NOE 500' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 499.8598763 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _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 9 '1H-15N heteronoe 500' . . . 50284 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 $software_1 . . 50284 1 3 $software_3 . . 50284 1 4 $software_4 . . 50284 1 5 $software_5 . . 50284 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 2 2 LEU N N 15 . 1 1 2 2 LEU H H 1 0.388457 0.204279 . . . 114 LEU N . 114 LEU H 50284 1 2 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.686136 0.029093 . . . 115 ILE N . 115 ILE H 50284 1 3 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 0.704841 0.035199 . . . 116 VAL N . 116 VAL H 50284 1 4 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.770775 0.041405 . . . 118 TYR N . 118 TYR H 50284 1 5 . 1 1 7 7 ASN N N 15 . 1 1 7 7 ASN H H 1 0.858809 0.048435 . . . 119 ASN N . 119 ASN H 50284 1 6 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.805878 0.039790 . . . 120 LEU N . 120 LEU H 50284 1 7 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.863788 0.040821 . . . 122 LEU N . 122 LEU H 50284 1 8 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.872808 0.225647 . . . 124 GLY N . 124 GLY H 50284 1 9 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.791084 0.033679 . . . 125 GLY N . 125 GLY H 50284 1 10 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.731170 0.033597 . . . 126 VAL N . 126 VAL H 50284 1 11 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.826691 0.041070 . . . 127 VAL N . 127 VAL H 50284 1 12 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.810410 0.042168 . . . 129 ARG N . 129 ARG H 50284 1 13 . 1 1 18 18 MET N N 15 . 1 1 18 18 MET H H 1 0.793267 0.031888 . . . 130 MET N . 130 MET H 50284 1 14 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.805226 0.044934 . . . 131 LEU N . 131 LEU H 50284 1 15 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.834257 0.043429 . . . 132 ILE N . 132 ILE H 50284 1 16 . 1 1 21 21 THR N N 15 . 1 1 21 21 THR H H 1 0.821597 0.037990 . . . 133 THR N . 133 THR H 50284 1 17 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.837499 0.039960 . . . 134 ILE N . 134 ILE H 50284 1 18 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.936462 0.048384 . . . 135 LEU N . 135 LEU H 50284 1 19 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.839611 0.030184 . . . 136 GLY N . 136 GLY H 50284 1 20 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.861068 0.040789 . . . 137 THR N . 137 THR H 50284 1 21 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.910714 0.041082 . . . 138 VAL N . 138 VAL H 50284 1 22 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.900663 0.044223 . . . 139 LYS N . 139 LYS H 50284 1 23 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.807673 0.156397 . . . 141 ASN N . 141 ASN H 50284 1 24 . 1 1 30 30 ALA N N 15 . 1 1 30 30 ALA H H 1 0.756016 0.023303 . . . 142 ALA N . 142 ALA H 50284 1 25 . 1 1 31 31 ASN N N 15 . 1 1 31 31 ASN H H 1 0.816111 0.047599 . . . 143 ASN N . 143 ASN H 50284 1 26 . 1 1 32 32 ARG N N 15 . 1 1 32 32 ARG H H 1 0.864591 0.041625 . . . 144 ARG N . 144 ARG H 50284 1 27 . 1 1 33 33 ILE N N 15 . 1 1 33 33 ILE H H 1 0.751593 0.038017 . . . 145 ILE N . 145 ILE H 50284 1 28 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.874023 0.038374 . . . 146 ALA N . 146 ALA H 50284 1 29 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.949766 0.050747 . . . 147 LEU N . 147 LEU H 50284 1 30 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.904038 0.042900 . . . 148 ASP N . 148 ASP H 50284 1 31 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.762970 0.263396 . . . 149 PHE N . 149 PHE H 50284 1 32 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.867380 0.044015 . . . 150 GLN N . 150 GLN H 50284 1 33 . 1 1 39 39 ARG N N 15 . 1 1 39 39 ARG H H 1 0.825427 0.045714 . . . 151 ARG N . 151 ARG H 50284 1 34 . 1 1 42 42 ASP N N 15 . 1 1 42 42 ASP H H 1 0.881354 0.036459 . . . 154 ASP N . 154 ASP H 50284 1 35 . 1 1 43 43 VAL N N 15 . 1 1 43 43 VAL H H 1 0.844097 0.044192 . . . 155 VAL N . 155 VAL H 50284 1 36 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 0.867272 0.028862 . . . 156 ALA N . 156 ALA H 50284 1 37 . 1 1 45 45 PHE N N 15 . 1 1 45 45 PHE H H 1 0.789427 0.032359 . . . 157 PHE N . 157 PHE H 50284 1 38 . 1 1 46 46 HIS N N 15 . 1 1 46 46 HIS H H 1 0.862512 0.053301 . . . 158 HIS N . 158 HIS H 50284 1 39 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.831908 0.042082 . . . 159 PHE N . 159 PHE H 50284 1 40 . 1 1 48 48 ASN N N 15 . 1 1 48 48 ASN H H 1 0.905485 0.047925 . . . 160 ASN N . 160 ASN H 50284 1 41 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.788269 0.040556 . . . 162 ARG N . 162 ARG H 50284 1 42 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.836079 0.047865 . . . 163 PHE N . 163 PHE H 50284 1 43 . 1 1 52 52 ASN N N 15 . 1 1 52 52 ASN H H 1 0.849190 0.038222 . . . 164 ASN N . 164 ASN H 50284 1 44 . 1 1 53 53 GLU N N 15 . 1 1 53 53 GLU H H 1 0.790656 0.023102 . . . 165 GLU N . 165 GLU H 50284 1 45 . 1 1 55 55 ASN N N 15 . 1 1 55 55 ASN H H 1 0.820686 0.036528 . . . 167 ASN N . 167 ASN H 50284 1 46 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.768958 0.029191 . . . 168 ARG N . 168 ARG H 50284 1 47 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.798319 0.035372 . . . 169 ARG N . 169 ARG H 50284 1 48 . 1 1 58 58 VAL N N 15 . 1 1 58 58 VAL H H 1 0.808383 0.033137 . . . 170 VAL N . 170 VAL H 50284 1 49 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 0.819445 0.040255 . . . 171 ILE N . 171 ILE H 50284 1 50 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.778991 0.038718 . . . 172 VAL N . 172 VAL H 50284 1 51 . 1 1 61 61 CYS N N 15 . 1 1 61 61 CYS H H 1 0.940343 0.054683 . . . 173 CYS N . 173 CYS H 50284 1 52 . 1 1 62 62 ASN N N 15 . 1 1 62 62 ASN H H 1 0.826375 0.034634 . . . 174 ASN N . 174 ASN H 50284 1 53 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.848193 0.041941 . . . 175 THR N . 175 THR H 50284 1 54 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.906556 0.051364 . . . 176 LYS N . 176 LYS H 50284 1 55 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.855418 0.038804 . . . 177 LEU N . 177 LEU H 50284 1 56 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.794356 0.032896 . . . 178 ASP N . 178 ASP H 50284 1 57 . 1 1 67 67 ASN N N 15 . 1 1 67 67 ASN H H 1 0.825446 0.036195 . . . 179 ASN N . 179 ASN H 50284 1 58 . 1 1 68 68 ASN N N 15 . 1 1 68 68 ASN H H 1 0.809269 0.028299 . . . 180 ASN N . 180 ASN H 50284 1 59 . 1 1 69 69 TRP N N 15 . 1 1 69 69 TRP H H 1 0.945977 0.050702 . . . 181 TRP N . 181 TRP H 50284 1 60 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.822020 0.039854 . . . 182 GLY N . 182 GLY H 50284 1 61 . 1 1 71 71 ARG N N 15 . 1 1 71 71 ARG H H 1 0.934017 0.048351 . . . 183 ARG N . 183 ARG H 50284 1 62 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.800861 0.032440 . . . 184 GLU N . 184 GLU H 50284 1 63 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.757875 0.037945 . . . 185 GLU N . 185 GLU H 50284 1 64 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.854623 0.096502 . . . 186 ARG N . 186 ARG H 50284 1 65 . 1 1 75 75 GLN N N 15 . 1 1 75 75 GLN H H 1 0.834188 0.042104 . . . 187 GLN N . 187 GLN H 50284 1 66 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.874388 0.037719 . . . 189 VAL N . 189 VAL H 50284 1 67 . 1 1 78 78 PHE N N 15 . 1 1 78 78 PHE H H 1 0.994433 0.067364 . . . 190 PHE N . 190 PHE H 50284 1 68 . 1 1 80 80 PHE N N 15 . 1 1 80 80 PHE H H 1 0.779727 0.028129 . . . 192 PHE N . 192 PHE H 50284 1 69 . 1 1 81 81 GLU N N 15 . 1 1 81 81 GLU H H 1 0.876677 0.041269 . . . 193 GLU N . 193 GLU H 50284 1 70 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.909709 0.069710 . . . 194 SER N . 194 SER H 50284 1 71 . 1 1 83 83 GLY N N 15 . 1 1 83 83 GLY H H 1 0.782292 0.040519 . . . 195 GLY N . 195 GLY H 50284 1 72 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.818222 0.033338 . . . 196 LYS N . 196 LYS H 50284 1 73 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.830524 0.035185 . . . 198 PHE N . 198 PHE H 50284 1 74 . 1 1 87 87 LYS N N 15 . 1 1 87 87 LYS H H 1 0.862846 0.045147 . . . 199 LYS N . 199 LYS H 50284 1 75 . 1 1 88 88 ILE N N 15 . 1 1 88 88 ILE H H 1 0.854864 0.038457 . . . 200 ILE N . 200 ILE H 50284 1 76 . 1 1 89 89 GLN N N 15 . 1 1 89 89 GLN H H 1 0.853109 0.020994 . . . 201 GLN N . 201 GLN H 50284 1 77 . 1 1 90 90 VAL N N 15 . 1 1 90 90 VAL H H 1 0.891745 0.044928 . . . 202 VAL N . 202 VAL H 50284 1 78 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 0.921900 0.050323 . . . 203 LEU N . 203 LEU H 50284 1 79 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.879039 0.047526 . . . 204 VAL N . 204 VAL H 50284 1 80 . 1 1 93 93 GLU N N 15 . 1 1 93 93 GLU H H 1 0.947979 0.047293 . . . 205 GLU N . 205 GLU H 50284 1 81 . 1 1 95 95 ASP N N 15 . 1 1 95 95 ASP H H 1 0.885560 0.064867 . . . 207 ASP N . 207 ASP H 50284 1 82 . 1 1 96 96 HIS N N 15 . 1 1 96 96 HIS H H 1 0.800530 0.035050 . . . 208 HIS N . 208 HIS H 50284 1 83 . 1 1 97 97 PHE N N 15 . 1 1 97 97 PHE H H 1 0.846052 0.047653 . . . 209 PHE N . 209 PHE H 50284 1 84 . 1 1 98 98 LYS N N 15 . 1 1 98 98 LYS H H 1 0.897980 0.044970 . . . 210 LYS N . 210 LYS H 50284 1 85 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 0.854829 0.030892 . . . 211 VAL N . 211 VAL H 50284 1 86 . 1 1 100 100 ALA N N 15 . 1 1 100 100 ALA H H 1 0.874300 0.042024 . . . 212 ALA N . 212 ALA H 50284 1 87 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.788596 0.037455 . . . 213 VAL N . 213 VAL H 50284 1 88 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.811675 0.037402 . . . 214 ASN N . 214 ASN H 50284 1 89 . 1 1 103 103 ASP N N 15 . 1 1 103 103 ASP H H 1 0.799061 0.024283 . . . 215 ASP N . 215 ASP H 50284 1 90 . 1 1 104 104 ALA N N 15 . 1 1 104 104 ALA H H 1 0.844638 0.029328 . . . 216 ALA N . 216 ALA H 50284 1 91 . 1 1 106 106 LEU N N 15 . 1 1 106 106 LEU H H 1 0.768321 0.039543 . . . 218 LEU N . 218 LEU H 50284 1 92 . 1 1 107 107 LEU N N 15 . 1 1 107 107 LEU H H 1 0.796861 0.043455 . . . 219 LEU N . 219 LEU H 50284 1 93 . 1 1 108 108 GLN N N 15 . 1 1 108 108 GLN H H 1 0.795074 0.039523 . . . 220 GLN N . 220 GLN H 50284 1 94 . 1 1 109 109 TYR N N 15 . 1 1 109 109 TYR H H 1 0.781302 0.038427 . . . 221 TYR N . 221 TYR H 50284 1 95 . 1 1 110 110 ASN N N 15 . 1 1 110 110 ASN H H 1 0.745773 0.030880 . . . 222 ASN N . 222 ASN H 50284 1 96 . 1 1 111 111 HIS N N 15 . 1 1 111 111 HIS H H 1 0.834577 0.033592 . . . 223 HIS N . 223 HIS H 50284 1 97 . 1 1 112 112 ARG N N 15 . 1 1 112 112 ARG H H 1 0.889332 0.062166 . . . 224 ARG N . 224 ARG H 50284 1 98 . 1 1 113 113 VAL N N 15 . 1 1 113 113 VAL H H 1 0.897239 0.056549 . . . 225 VAL N . 225 VAL H 50284 1 99 . 1 1 115 115 LYS N N 15 . 1 1 115 115 LYS H H 1 0.759856 0.070408 . . . 227 LYS N . 227 LYS H 50284 1 100 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.883469 0.039250 . . . 228 LEU N . 228 LEU H 50284 1 101 . 1 1 117 117 ASN N N 15 . 1 1 117 117 ASN H H 1 0.833799 0.028993 . . . 229 ASN N . 229 ASN H 50284 1 102 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.847053 0.037864 . . . 230 GLU N . 230 GLU H 50284 1 103 . 1 1 119 119 ILE N N 15 . 1 1 119 119 ILE H H 1 0.830258 0.036520 . . . 231 ILE N . 231 ILE H 50284 1 104 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.728328 0.037955 . . . 232 SER N . 232 SER H 50284 1 105 . 1 1 121 121 LYS N N 15 . 1 1 121 121 LYS H H 1 0.857096 0.032397 . . . 233 LYS N . 233 LYS H 50284 1 106 . 1 1 122 122 LEU N N 15 . 1 1 122 122 LEU H H 1 0.777806 0.039355 . . . 234 LEU N . 234 LEU H 50284 1 107 . 1 1 123 123 GLY N N 15 . 1 1 123 123 GLY H H 1 0.840586 0.044155 . . . 235 GLY N . 235 GLY H 50284 1 108 . 1 1 124 124 ILE N N 15 . 1 1 124 124 ILE H H 1 0.841258 0.047605 . . . 236 ILE N . 236 ILE H 50284 1 109 . 1 1 125 125 SER N N 15 . 1 1 125 125 SER H H 1 0.917196 0.039326 . . . 237 SER N . 237 SER H 50284 1 110 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.873170 0.042768 . . . 238 GLY N . 238 GLY H 50284 1 111 . 1 1 127 127 ASP N N 15 . 1 1 127 127 ASP H H 1 0.894368 0.038496 . . . 239 ASP N . 239 ASP H 50284 1 112 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.803548 0.036598 . . . 240 ILE N . 240 ILE H 50284 1 113 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.844512 0.047073 . . . 241 ASP N . 241 ASP H 50284 1 114 . 1 1 130 130 LEU N N 15 . 1 1 130 130 LEU H H 1 0.868806 0.040833 . . . 242 LEU N . 242 LEU H 50284 1 115 . 1 1 131 131 THR N N 15 . 1 1 131 131 THR H H 1 0.905339 0.058543 . . . 243 THR N . 243 THR H 50284 1 116 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.805697 0.032090 . . . 244 SER N . 244 SER H 50284 1 117 . 1 1 133 133 ALA N N 15 . 1 1 133 133 ALA H H 1 0.876272 0.036278 . . . 245 ALA N . 245 ALA H 50284 1 118 . 1 1 134 134 SER N N 15 . 1 1 134 134 SER H H 1 0.837904 0.031538 . . . 246 SER N . 246 SER H 50284 1 119 . 1 1 135 135 TYR N N 15 . 1 1 135 135 TYR H H 1 0.847393 0.032513 . . . 247 TYR N . 247 TYR H 50284 1 120 . 1 1 136 136 THR N N 15 . 1 1 136 136 THR H H 1 0.836489 0.036169 . . . 248 THR N . 248 THR H 50284 1 121 . 1 1 137 137 MET N N 15 . 1 1 137 137 MET H H 1 0.822310 0.037024 . . . 249 MET N . 249 MET H 50284 1 122 . 1 1 138 138 ILE N N 15 . 1 1 138 138 ILE H H 1 0.843149 0.038870 . . . 250 ILE N . 250 ILE H 50284 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_2 _Heteronucl_NOE_list.Entry_ID 50284 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name 'P-galectin-3C NOE 600' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 599.8821277 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _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 10 '1H-15N heteronoe 600' . . . 50284 2 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 $software_1 . . 50284 2 3 $software_3 . . 50284 2 4 $software_4 . . 50284 2 5 $software_5 . . 50284 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 2 2 LEU N N 15 . 1 1 2 2 LEU H H 1 0.372629 0.103038 . . . 114 LEU N . 114 LEU H 50284 2 2 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.674677 0.012392 . . . 115 ILE N . 115 ILE H 50284 2 3 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 0.666431 0.015965 . . . 116 VAL N . 116 VAL H 50284 2 4 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.781778 0.020660 . . . 118 TYR N . 118 TYR H 50284 2 5 . 1 1 7 7 ASN N N 15 . 1 1 7 7 ASN H H 1 0.764018 0.021266 . . . 119 ASN N . 119 ASN H 50284 2 6 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.807268 0.018406 . . . 120 LEU N . 120 LEU H 50284 2 7 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.791521 0.019453 . . . 122 LEU N . 122 LEU H 50284 2 8 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.787056 0.216194 . . . 124 GLY N . 124 GLY H 50284 2 9 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.785857 0.015018 . . . 125 GLY N . 125 GLY H 50284 2 10 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.733496 0.016538 . . . 126 VAL N . 126 VAL H 50284 2 11 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.786390 0.018975 . . . 127 VAL N . 127 VAL H 50284 2 12 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.783647 0.019713 . . . 129 ARG N . 129 ARG H 50284 2 13 . 1 1 18 18 MET N N 15 . 1 1 18 18 MET H H 1 0.791466 0.015789 . . . 130 MET N . 130 MET H 50284 2 14 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.802981 0.021398 . . . 131 LEU N . 131 LEU H 50284 2 15 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.805244 0.020492 . . . 132 ILE N . 132 ILE H 50284 2 16 . 1 1 21 21 THR N N 15 . 1 1 21 21 THR H H 1 0.811475 0.017269 . . . 133 THR N . 133 THR H 50284 2 17 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.804395 0.018572 . . . 134 ILE N . 134 ILE H 50284 2 18 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.824627 0.019612 . . . 135 LEU N . 135 LEU H 50284 2 19 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.790363 0.012761 . . . 136 GLY N . 136 GLY H 50284 2 20 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.776159 0.016867 . . . 137 THR N . 137 THR H 50284 2 21 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.772487 0.018377 . . . 138 VAL N . 138 VAL H 50284 2 22 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.773081 0.018256 . . . 139 LYS N . 139 LYS H 50284 2 23 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.785797 0.104977 . . . 141 ASN N . 141 ASN H 50284 2 24 . 1 1 30 30 ALA N N 15 . 1 1 30 30 ALA H H 1 0.701712 0.009725 . . . 142 ALA N . 142 ALA H 50284 2 25 . 1 1 31 31 ASN N N 15 . 1 1 31 31 ASN H H 1 0.783934 0.024260 . . . 143 ASN N . 143 ASN H 50284 2 26 . 1 1 32 32 ARG N N 15 . 1 1 32 32 ARG H H 1 0.772996 0.018712 . . . 144 ARG N . 144 ARG H 50284 2 27 . 1 1 33 33 ILE N N 15 . 1 1 33 33 ILE H H 1 0.783266 0.020068 . . . 145 ILE N . 145 ILE H 50284 2 28 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.785243 0.016491 . . . 146 ALA N . 146 ALA H 50284 2 29 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.811912 0.023181 . . . 147 LEU N . 147 LEU H 50284 2 30 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.816184 0.018774 . . . 148 ASP N . 148 ASP H 50284 2 31 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.812007 0.010812 . . . 149 PHE N . 149 PHE H 50284 2 32 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.791365 0.019189 . . . 150 GLN N . 150 GLN H 50284 2 33 . 1 1 39 39 ARG N N 15 . 1 1 39 39 ARG H H 1 0.822126 0.021298 . . . 151 ARG N . 151 ARG H 50284 2 34 . 1 1 42 42 ASP N N 15 . 1 1 42 42 ASP H H 1 0.785246 0.016121 . . . 154 ASP N . 154 ASP H 50284 2 35 . 1 1 43 43 VAL N N 15 . 1 1 43 43 VAL H H 1 0.766393 0.020358 . . . 155 VAL N . 155 VAL H 50284 2 36 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 0.825990 0.015787 . . . 156 ALA N . 156 ALA H 50284 2 37 . 1 1 45 45 PHE N N 15 . 1 1 45 45 PHE H H 1 0.800390 0.016164 . . . 157 PHE N . 157 PHE H 50284 2 38 . 1 1 46 46 HIS N N 15 . 1 1 46 46 HIS H H 1 0.815682 0.023929 . . . 158 HIS N . 158 HIS H 50284 2 39 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.802670 0.020252 . . . 159 PHE N . 159 PHE H 50284 2 40 . 1 1 48 48 ASN N N 15 . 1 1 48 48 ASN H H 1 0.810961 0.021692 . . . 160 ASN N . 160 ASN H 50284 2 41 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.779603 0.023020 . . . 162 ARG N . 162 ARG H 50284 2 42 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.768177 0.023448 . . . 163 PHE N . 163 PHE H 50284 2 43 . 1 1 52 52 ASN N N 15 . 1 1 52 52 ASN H H 1 0.773567 0.016590 . . . 164 ASN N . 164 ASN H 50284 2 44 . 1 1 53 53 GLU N N 15 . 1 1 53 53 GLU H H 1 0.735406 0.015586 . . . 165 GLU N . 165 GLU H 50284 2 45 . 1 1 55 55 ASN N N 15 . 1 1 55 55 ASN H H 1 0.769266 0.015854 . . . 167 ASN N . 167 ASN H 50284 2 46 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.800903 0.015835 . . . 168 ARG N . 168 ARG H 50284 2 47 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.737005 0.016207 . . . 169 ARG N . 169 ARG H 50284 2 48 . 1 1 58 58 VAL N N 15 . 1 1 58 58 VAL H H 1 0.789742 0.016183 . . . 170 VAL N . 170 VAL H 50284 2 49 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 0.779365 0.018749 . . . 171 ILE N . 171 ILE H 50284 2 50 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.757926 0.017757 . . . 172 VAL N . 172 VAL H 50284 2 51 . 1 1 61 61 CYS N N 15 . 1 1 61 61 CYS H H 1 0.803951 0.022591 . . . 173 CYS N . 173 CYS H 50284 2 52 . 1 1 62 62 ASN N N 15 . 1 1 62 62 ASN H H 1 0.807903 0.016538 . . . 174 ASN N . 174 ASN H 50284 2 53 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.778878 0.020055 . . . 175 THR N . 175 THR H 50284 2 54 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.816056 0.020954 . . . 176 LYS N . 176 LYS H 50284 2 55 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.783188 0.018450 . . . 177 LEU N . 177 LEU H 50284 2 56 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.818603 0.016925 . . . 178 ASP N . 178 ASP H 50284 2 57 . 1 1 67 67 ASN N N 15 . 1 1 67 67 ASN H H 1 0.812567 0.016811 . . . 179 ASN N . 179 ASN H 50284 2 58 . 1 1 68 68 ASN N N 15 . 1 1 68 68 ASN H H 1 0.789296 0.014352 . . . 180 ASN N . 180 ASN H 50284 2 59 . 1 1 69 69 TRP N N 15 . 1 1 69 69 TRP H H 1 0.784115 0.020736 . . . 181 TRP N . 181 TRP H 50284 2 60 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.795652 0.018313 . . . 182 GLY N . 182 GLY H 50284 2 61 . 1 1 71 71 ARG N N 15 . 1 1 71 71 ARG H H 1 0.787218 0.021842 . . . 183 ARG N . 183 ARG H 50284 2 62 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.784049 0.015635 . . . 184 GLU N . 184 GLU H 50284 2 63 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.810342 0.020399 . . . 185 GLU N . 185 GLU H 50284 2 64 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.757924 0.055388 . . . 186 ARG N . 186 ARG H 50284 2 65 . 1 1 75 75 GLN N N 15 . 1 1 75 75 GLN H H 1 0.767084 0.018499 . . . 187 GLN N . 187 GLN H 50284 2 66 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.775490 0.018051 . . . 189 VAL N . 189 VAL H 50284 2 67 . 1 1 78 78 PHE N N 15 . 1 1 78 78 PHE H H 1 0.789842 0.028844 . . . 190 PHE N . 190 PHE H 50284 2 68 . 1 1 80 80 PHE N N 15 . 1 1 80 80 PHE H H 1 0.737695 0.012792 . . . 192 PHE N . 192 PHE H 50284 2 69 . 1 1 81 81 GLU N N 15 . 1 1 81 81 GLU H H 1 0.765365 0.017266 . . . 193 GLU N . 193 GLU H 50284 2 70 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.760555 0.032170 . . . 194 SER N . 194 SER H 50284 2 71 . 1 1 83 83 GLY N N 15 . 1 1 83 83 GLY H H 1 0.769392 0.019059 . . . 195 GLY N . 195 GLY H 50284 2 72 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 1.023099 0.026452 . . . 196 LYS N . 196 LYS H 50284 2 73 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.800714 0.016135 . . . 198 PHE N . 198 PHE H 50284 2 74 . 1 1 87 87 LYS N N 15 . 1 1 87 87 LYS H H 1 0.800691 0.020869 . . . 199 LYS N . 199 LYS H 50284 2 75 . 1 1 88 88 ILE N N 15 . 1 1 88 88 ILE H H 1 0.807243 0.018722 . . . 200 ILE N . 200 ILE H 50284 2 76 . 1 1 89 89 GLN N N 15 . 1 1 89 89 GLN H H 1 0.808517 0.024383 . . . 201 GLN N . 201 GLN H 50284 2 77 . 1 1 90 90 VAL N N 15 . 1 1 90 90 VAL H H 1 0.804489 0.020599 . . . 202 VAL N . 202 VAL H 50284 2 78 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 0.774690 0.021684 . . . 203 LEU N . 203 LEU H 50284 2 79 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.809431 0.021284 . . . 204 VAL N . 204 VAL H 50284 2 80 . 1 1 93 93 GLU N N 15 . 1 1 93 93 GLU H H 1 0.816954 0.021198 . . . 205 GLU N . 205 GLU H 50284 2 81 . 1 1 95 95 ASP N N 15 . 1 1 95 95 ASP H H 1 0.774435 0.037319 . . . 207 ASP N . 207 ASP H 50284 2 82 . 1 1 96 96 HIS N N 15 . 1 1 96 96 HIS H H 1 0.789217 0.019782 . . . 208 HIS N . 208 HIS H 50284 2 83 . 1 1 97 97 PHE N N 15 . 1 1 97 97 PHE H H 1 0.801384 0.022750 . . . 209 PHE N . 209 PHE H 50284 2 84 . 1 1 98 98 LYS N N 15 . 1 1 98 98 LYS H H 1 0.817029 0.022100 . . . 210 LYS N . 210 LYS H 50284 2 85 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 0.798283 0.020454 . . . 211 VAL N . 211 VAL H 50284 2 86 . 1 1 100 100 ALA N N 15 . 1 1 100 100 ALA H H 1 0.811292 0.017592 . . . 212 ALA N . 212 ALA H 50284 2 87 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.794885 0.019042 . . . 213 VAL N . 213 VAL H 50284 2 88 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.808250 0.020540 . . . 214 ASN N . 214 ASN H 50284 2 89 . 1 1 103 103 ASP N N 15 . 1 1 103 103 ASP H H 1 0.783684 0.016084 . . . 215 ASP N . 215 ASP H 50284 2 90 . 1 1 104 104 ALA N N 15 . 1 1 104 104 ALA H H 1 0.810387 0.013007 . . . 216 ALA N . 216 ALA H 50284 2 91 . 1 1 106 106 LEU N N 15 . 1 1 106 106 LEU H H 1 0.763897 0.026960 . . . 218 LEU N . 218 LEU H 50284 2 92 . 1 1 107 107 LEU N N 15 . 1 1 107 107 LEU H H 1 0.847094 0.026779 . . . 219 LEU N . 219 LEU H 50284 2 93 . 1 1 108 108 GLN N N 15 . 1 1 108 108 GLN H H 1 0.791543 0.018039 . . . 220 GLN N . 220 GLN H 50284 2 94 . 1 1 109 109 TYR N N 15 . 1 1 109 109 TYR H H 1 0.814603 0.021061 . . . 221 TYR N . 221 TYR H 50284 2 95 . 1 1 110 110 ASN N N 15 . 1 1 110 110 ASN H H 1 0.799618 0.014302 . . . 222 ASN N . 222 ASN H 50284 2 96 . 1 1 111 111 HIS N N 15 . 1 1 111 111 HIS H H 1 0.801301 0.015184 . . . 223 HIS N . 223 HIS H 50284 2 97 . 1 1 112 112 ARG N N 15 . 1 1 112 112 ARG H H 1 0.817378 0.032473 . . . 224 ARG N . 224 ARG H 50284 2 98 . 1 1 113 113 VAL N N 15 . 1 1 113 113 VAL H H 1 0.729590 0.020963 . . . 225 VAL N . 225 VAL H 50284 2 99 . 1 1 115 115 LYS N N 15 . 1 1 115 115 LYS H H 1 0.729164 0.046297 . . . 227 LYS N . 227 LYS H 50284 2 100 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.765717 0.016639 . . . 228 LEU N . 228 LEU H 50284 2 101 . 1 1 117 117 ASN N N 15 . 1 1 117 117 ASN H H 1 0.790786 0.013626 . . . 229 ASN N . 229 ASN H 50284 2 102 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.800449 0.017891 . . . 230 GLU N . 230 GLU H 50284 2 103 . 1 1 119 119 ILE N N 15 . 1 1 119 119 ILE H H 1 0.795224 0.018023 . . . 231 ILE N . 231 ILE H 50284 2 104 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.696349 0.017040 . . . 232 SER N . 232 SER H 50284 2 105 . 1 1 121 121 LYS N N 15 . 1 1 121 121 LYS H H 1 0.769184 0.014010 . . . 233 LYS N . 233 LYS H 50284 2 106 . 1 1 122 122 LEU N N 15 . 1 1 122 122 LEU H H 1 0.789467 0.021443 . . . 234 LEU N . 234 LEU H 50284 2 107 . 1 1 123 123 GLY N N 15 . 1 1 123 123 GLY H H 1 0.773991 0.019924 . . . 235 GLY N . 235 GLY H 50284 2 108 . 1 1 124 124 ILE N N 15 . 1 1 124 124 ILE H H 1 0.798737 0.022047 . . . 236 ILE N . 236 ILE H 50284 2 109 . 1 1 125 125 SER N N 15 . 1 1 125 125 SER H H 1 0.834100 0.015920 . . . 237 SER N . 237 SER H 50284 2 110 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.817754 0.019686 . . . 238 GLY N . 238 GLY H 50284 2 111 . 1 1 127 127 ASP N N 15 . 1 1 127 127 ASP H H 1 0.788128 0.017066 . . . 239 ASP N . 239 ASP H 50284 2 112 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.800375 0.019344 . . . 240 ILE N . 240 ILE H 50284 2 113 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.803901 0.019544 . . . 241 ASP N . 241 ASP H 50284 2 114 . 1 1 130 130 LEU N N 15 . 1 1 130 130 LEU H H 1 0.779009 0.018667 . . . 242 LEU N . 242 LEU H 50284 2 115 . 1 1 131 131 THR N N 15 . 1 1 131 131 THR H H 1 0.773703 0.024578 . . . 243 THR N . 243 THR H 50284 2 116 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.799795 0.014928 . . . 244 SER N . 244 SER H 50284 2 117 . 1 1 133 133 ALA N N 15 . 1 1 133 133 ALA H H 1 0.796506 0.016056 . . . 245 ALA N . 245 ALA H 50284 2 118 . 1 1 134 134 SER N N 15 . 1 1 134 134 SER H H 1 0.799361 0.014288 . . . 246 SER N . 246 SER H 50284 2 119 . 1 1 135 135 TYR N N 15 . 1 1 135 135 TYR H H 1 0.799886 0.014474 . . . 247 TYR N . 247 TYR H 50284 2 120 . 1 1 136 136 THR N N 15 . 1 1 136 136 THR H H 1 0.803665 0.015717 . . . 248 THR N . 248 THR H 50284 2 121 . 1 1 137 137 MET N N 15 . 1 1 137 137 MET H H 1 0.749023 0.016965 . . . 249 MET N . 249 MET H 50284 2 122 . 1 1 138 138 ILE N N 15 . 1 1 138 138 ILE H H 1 0.778819 0.017334 . . . 250 ILE N . 250 ILE H 50284 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_3 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_3 _Heteronucl_NOE_list.Entry_ID 50284 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Name 'P-galectin-3C NOE 800' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800.066 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _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 11 '1H-15N heteronoe 800' . . . 50284 3 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 $software_1 . . 50284 3 3 $software_3 . . 50284 3 4 $software_4 . . 50284 3 5 $software_5 . . 50284 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 2 2 LEU N N 15 . 1 1 2 2 LEU H H 1 0.471487 0.026917 . . . 114 LEU N . 114 LEU H 50284 3 2 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.703677 0.006303 . . . 115 ILE N . 115 ILE H 50284 3 3 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 0.739053 0.007599 . . . 116 VAL N . 116 VAL H 50284 3 4 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.836641 0.008874 . . . 118 TYR N . 118 TYR H 50284 3 5 . 1 1 7 7 ASN N N 15 . 1 1 7 7 ASN H H 1 0.838929 0.009685 . . . 119 ASN N . 119 ASN H 50284 3 6 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.809082 0.008553 . . . 120 LEU N . 120 LEU H 50284 3 7 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.822801 0.008273 . . . 122 LEU N . 122 LEU H 50284 3 8 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.816034 0.040523 . . . 124 GLY N . 124 GLY H 50284 3 9 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.843837 0.007810 . . . 125 GLY N . 125 GLY H 50284 3 10 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.786303 0.007072 . . . 126 VAL N . 126 VAL H 50284 3 11 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.820393 0.008636 . . . 127 VAL N . 127 VAL H 50284 3 12 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.825561 0.009248 . . . 129 ARG N . 129 ARG H 50284 3 13 . 1 1 18 18 MET N N 15 . 1 1 18 18 MET H H 1 0.849491 0.007794 . . . 130 MET N . 130 MET H 50284 3 14 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.853806 0.009921 . . . 131 LEU N . 131 LEU H 50284 3 15 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.854918 0.009172 . . . 132 ILE N . 132 ILE H 50284 3 16 . 1 1 21 21 THR N N 15 . 1 1 21 21 THR H H 1 0.844654 0.007029 . . . 133 THR N . 133 THR H 50284 3 17 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.863522 0.008498 . . . 134 ILE N . 134 ILE H 50284 3 18 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.855124 0.008354 . . . 135 LEU N . 135 LEU H 50284 3 19 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.859379 0.007201 . . . 136 GLY N . 136 GLY H 50284 3 20 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.847937 0.008422 . . . 137 THR N . 137 THR H 50284 3 21 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.841279 0.008877 . . . 138 VAL N . 138 VAL H 50284 3 22 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.845222 0.008876 . . . 139 LYS N . 139 LYS H 50284 3 23 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.795517 0.025730 . . . 141 ASN N . 141 ASN H 50284 3 24 . 1 1 30 30 ALA N N 15 . 1 1 30 30 ALA H H 1 0.748350 0.005747 . . . 142 ALA N . 142 ALA H 50284 3 25 . 1 1 31 31 ASN N N 15 . 1 1 31 31 ASN H H 1 0.834264 0.010644 . . . 143 ASN N . 143 ASN H 50284 3 26 . 1 1 32 32 ARG N N 15 . 1 1 32 32 ARG H H 1 0.858620 0.009253 . . . 144 ARG N . 144 ARG H 50284 3 27 . 1 1 33 33 ILE N N 15 . 1 1 33 33 ILE H H 1 0.844637 0.008815 . . . 145 ILE N . 145 ILE H 50284 3 28 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.833066 0.007951 . . . 146 ALA N . 146 ALA H 50284 3 29 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.846830 0.009903 . . . 147 LEU N . 147 LEU H 50284 3 30 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.833144 0.008097 . . . 148 ASP N . 148 ASP H 50284 3 31 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.858304 0.005172 . . . 149 PHE N . 149 PHE H 50284 3 32 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.832192 0.008597 . . . 150 GLN N . 150 GLN H 50284 3 33 . 1 1 39 39 ARG N N 15 . 1 1 39 39 ARG H H 1 0.830337 0.009119 . . . 151 ARG N . 151 ARG H 50284 3 34 . 1 1 42 42 ASP N N 15 . 1 1 42 42 ASP H H 1 0.849832 0.007381 . . . 154 ASP N . 154 ASP H 50284 3 35 . 1 1 43 43 VAL N N 15 . 1 1 43 43 VAL H H 1 0.845382 0.009646 . . . 155 VAL N . 155 VAL H 50284 3 36 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 0.846456 0.006430 . . . 156 ALA N . 156 ALA H 50284 3 37 . 1 1 45 45 PHE N N 15 . 1 1 45 45 PHE H H 1 0.845275 0.007666 . . . 157 PHE N . 157 PHE H 50284 3 38 . 1 1 46 46 HIS N N 15 . 1 1 46 46 HIS H H 1 0.865503 0.011263 . . . 158 HIS N . 158 HIS H 50284 3 39 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.847264 0.008664 . . . 159 PHE N . 159 PHE H 50284 3 40 . 1 1 48 48 ASN N N 15 . 1 1 48 48 ASN H H 1 0.853206 0.009514 . . . 160 ASN N . 160 ASN H 50284 3 41 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.847680 0.009206 . . . 162 ARG N . 162 ARG H 50284 3 42 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.842119 0.010149 . . . 163 PHE N . 163 PHE H 50284 3 43 . 1 1 52 52 ASN N N 15 . 1 1 52 52 ASN H H 1 0.850826 0.008254 . . . 164 ASN N . 164 ASN H 50284 3 44 . 1 1 53 53 GLU N N 15 . 1 1 53 53 GLU H H 1 0.797830 0.006673 . . . 165 GLU N . 165 GLU H 50284 3 45 . 1 1 55 55 ASN N N 15 . 1 1 55 55 ASN H H 1 0.819314 0.008017 . . . 167 ASN N . 167 ASN H 50284 3 46 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.791270 0.006316 . . . 168 ARG N . 168 ARG H 50284 3 47 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.805325 0.007873 . . . 169 ARG N . 169 ARG H 50284 3 48 . 1 1 58 58 VAL N N 15 . 1 1 58 58 VAL H H 1 0.836503 0.007564 . . . 170 VAL N . 170 VAL H 50284 3 49 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 0.842243 0.008552 . . . 171 ILE N . 171 ILE H 50284 3 50 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.851638 0.008646 . . . 172 VAL N . 172 VAL H 50284 3 51 . 1 1 61 61 CYS N N 15 . 1 1 61 61 CYS H H 1 0.846545 0.010487 . . . 173 CYS N . 173 CYS H 50284 3 52 . 1 1 62 62 ASN N N 15 . 1 1 62 62 ASN H H 1 0.848632 0.007947 . . . 174 ASN N . 174 ASN H 50284 3 53 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.832747 0.009196 . . . 175 THR N . 175 THR H 50284 3 54 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.839090 0.009930 . . . 176 LYS N . 176 LYS H 50284 3 55 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.853220 0.008535 . . . 177 LEU N . 177 LEU H 50284 3 56 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.829028 0.006684 . . . 178 ASP N . 178 ASP H 50284 3 57 . 1 1 67 67 ASN N N 15 . 1 1 67 67 ASN H H 1 0.842643 0.008586 . . . 179 ASN N . 179 ASN H 50284 3 58 . 1 1 68 68 ASN N N 15 . 1 1 68 68 ASN H H 1 0.819334 0.006513 . . . 180 ASN N . 180 ASN H 50284 3 59 . 1 1 69 69 TRP N N 15 . 1 1 69 69 TRP H H 1 0.855761 0.009103 . . . 181 TRP N . 181 TRP H 50284 3 60 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.845322 0.008451 . . . 182 GLY N . 182 GLY H 50284 3 61 . 1 1 71 71 ARG N N 15 . 1 1 71 71 ARG H H 1 0.855386 0.009431 . . . 183 ARG N . 183 ARG H 50284 3 62 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.835226 0.007566 . . . 184 GLU N . 184 GLU H 50284 3 63 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.838013 0.008824 . . . 185 GLU N . 185 GLU H 50284 3 64 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.860450 0.017292 . . . 186 ARG N . 186 ARG H 50284 3 65 . 1 1 75 75 GLN N N 15 . 1 1 75 75 GLN H H 1 0.820390 0.008582 . . . 187 GLN N . 187 GLN H 50284 3 66 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.831096 0.008910 . . . 189 VAL N . 189 VAL H 50284 3 67 . 1 1 78 78 PHE N N 15 . 1 1 78 78 PHE H H 1 0.829185 0.010237 . . . 190 PHE N . 190 PHE H 50284 3 68 . 1 1 80 80 PHE N N 15 . 1 1 80 80 PHE H H 1 0.805785 0.009195 . . . 192 PHE N . 192 PHE H 50284 3 69 . 1 1 81 81 GLU N N 15 . 1 1 81 81 GLU H H 1 0.827198 0.008468 . . . 193 GLU N . 193 GLU H 50284 3 70 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.777329 0.011244 . . . 194 SER N . 194 SER H 50284 3 71 . 1 1 83 83 GLY N N 15 . 1 1 83 83 GLY H H 1 0.803925 0.008616 . . . 195 GLY N . 195 GLY H 50284 3 72 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.841877 0.007573 . . . 196 LYS N . 196 LYS H 50284 3 73 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.826557 0.007517 . . . 198 PHE N . 198 PHE H 50284 3 74 . 1 1 87 87 LYS N N 15 . 1 1 87 87 LYS H H 1 0.838191 0.008695 . . . 199 LYS N . 199 LYS H 50284 3 75 . 1 1 88 88 ILE N N 15 . 1 1 88 88 ILE H H 1 0.847839 0.008485 . . . 200 ILE N . 200 ILE H 50284 3 76 . 1 1 89 89 GLN N N 15 . 1 1 89 89 GLN H H 1 0.844230 0.004847 . . . 201 GLN N . 201 GLN H 50284 3 77 . 1 1 90 90 VAL N N 15 . 1 1 90 90 VAL H H 1 0.829017 0.008918 . . . 202 VAL N . 202 VAL H 50284 3 78 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 0.840503 0.011331 . . . 203 LEU N . 203 LEU H 50284 3 79 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.870298 0.010749 . . . 204 VAL N . 204 VAL H 50284 3 80 . 1 1 93 93 GLU N N 15 . 1 1 93 93 GLU H H 1 0.849135 0.009531 . . . 205 GLU N . 205 GLU H 50284 3 81 . 1 1 95 95 ASP N N 15 . 1 1 95 95 ASP H H 1 0.876425 0.017992 . . . 207 ASP N . 207 ASP H 50284 3 82 . 1 1 96 96 HIS N N 15 . 1 1 96 96 HIS H H 1 0.890725 0.011766 . . . 208 HIS N . 208 HIS H 50284 3 83 . 1 1 97 97 PHE N N 15 . 1 1 97 97 PHE H H 1 0.841436 0.009587 . . . 209 PHE N . 209 PHE H 50284 3 84 . 1 1 98 98 LYS N N 15 . 1 1 98 98 LYS H H 1 0.832375 0.009975 . . . 210 LYS N . 210 LYS H 50284 3 85 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 0.840013 0.008009 . . . 211 VAL N . 211 VAL H 50284 3 86 . 1 1 100 100 ALA N N 15 . 1 1 100 100 ALA H H 1 0.860713 0.008404 . . . 212 ALA N . 212 ALA H 50284 3 87 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.827466 0.008665 . . . 213 VAL N . 213 VAL H 50284 3 88 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.865078 0.009026 . . . 214 ASN N . 214 ASN H 50284 3 89 . 1 1 103 103 ASP N N 15 . 1 1 103 103 ASP H H 1 0.856580 0.007552 . . . 215 ASP N . 215 ASP H 50284 3 90 . 1 1 104 104 ALA N N 15 . 1 1 104 104 ALA H H 1 0.845805 0.006604 . . . 216 ALA N . 216 ALA H 50284 3 91 . 1 1 106 106 LEU N N 15 . 1 1 106 106 LEU H H 1 0.866275 0.009782 . . . 218 LEU N . 218 LEU H 50284 3 92 . 1 1 107 107 LEU N N 15 . 1 1 107 107 LEU H H 1 0.852090 0.011643 . . . 219 LEU N . 219 LEU H 50284 3 93 . 1 1 108 108 GLN N N 15 . 1 1 108 108 GLN H H 1 0.845339 0.008866 . . . 220 GLN N . 220 GLN H 50284 3 94 . 1 1 109 109 TYR N N 15 . 1 1 109 109 TYR H H 1 0.851545 0.009015 . . . 221 TYR N . 221 TYR H 50284 3 95 . 1 1 110 110 ASN N N 15 . 1 1 110 110 ASN H H 1 0.856406 0.008050 . . . 222 ASN N . 222 ASN H 50284 3 96 . 1 1 111 111 HIS N N 15 . 1 1 111 111 HIS H H 1 0.853481 0.007905 . . . 223 HIS N . 223 HIS H 50284 3 97 . 1 1 112 112 ARG N N 15 . 1 1 112 112 ARG H H 1 0.835720 0.012628 . . . 224 ARG N . 224 ARG H 50284 3 98 . 1 1 113 113 VAL N N 15 . 1 1 113 113 VAL H H 1 0.772204 0.009483 . . . 225 VAL N . 225 VAL H 50284 3 99 . 1 1 115 115 LYS N N 15 . 1 1 115 115 LYS H H 1 0.742354 0.013874 . . . 227 LYS N . 227 LYS H 50284 3 100 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.809516 0.008147 . . . 228 LEU N . 228 LEU H 50284 3 101 . 1 1 117 117 ASN N N 15 . 1 1 117 117 ASN H H 1 0.840893 0.006751 . . . 229 ASN N . 229 ASN H 50284 3 102 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.846564 0.008147 . . . 230 GLU N . 230 GLU H 50284 3 103 . 1 1 119 119 ILE N N 15 . 1 1 119 119 ILE H H 1 0.853421 0.008526 . . . 231 ILE N . 231 ILE H 50284 3 104 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.734986 0.007783 . . . 232 SER N . 232 SER H 50284 3 105 . 1 1 121 121 LYS N N 15 . 1 1 121 121 LYS H H 1 0.815600 0.006766 . . . 233 LYS N . 233 LYS H 50284 3 106 . 1 1 122 122 LEU N N 15 . 1 1 122 122 LEU H H 1 0.853719 0.009145 . . . 234 LEU N . 234 LEU H 50284 3 107 . 1 1 123 123 GLY N N 15 . 1 1 123 123 GLY H H 1 0.852271 0.009633 . . . 235 GLY N . 235 GLY H 50284 3 108 . 1 1 124 124 ILE N N 15 . 1 1 124 124 ILE H H 1 0.850703 0.009717 . . . 236 ILE N . 236 ILE H 50284 3 109 . 1 1 125 125 SER N N 15 . 1 1 125 125 SER H H 1 0.854697 0.007957 . . . 237 SER N . 237 SER H 50284 3 110 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.844657 0.007744 . . . 238 GLY N . 238 GLY H 50284 3 111 . 1 1 127 127 ASP N N 15 . 1 1 127 127 ASP H H 1 0.851537 0.008010 . . . 239 ASP N . 239 ASP H 50284 3 112 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.856554 0.008867 . . . 240 ILE N . 240 ILE H 50284 3 113 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.842335 0.009069 . . . 241 ASP N . 241 ASP H 50284 3 114 . 1 1 130 130 LEU N N 15 . 1 1 130 130 LEU H H 1 0.818176 0.008275 . . . 242 LEU N . 242 LEU H 50284 3 115 . 1 1 131 131 THR N N 15 . 1 1 131 131 THR H H 1 0.844322 0.010994 . . . 243 THR N . 243 THR H 50284 3 116 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.844200 0.007563 . . . 244 SER N . 244 SER H 50284 3 117 . 1 1 133 133 ALA N N 15 . 1 1 133 133 ALA H H 1 0.836086 0.007387 . . . 245 ALA N . 245 ALA H 50284 3 118 . 1 1 134 134 SER N N 15 . 1 1 134 134 SER H H 1 0.879032 0.007346 . . . 246 SER N . 246 SER H 50284 3 119 . 1 1 135 135 TYR N N 15 . 1 1 135 135 TYR H H 1 0.864862 0.007503 . . . 247 TYR N . 247 TYR H 50284 3 120 . 1 1 136 136 THR N N 15 . 1 1 136 136 THR H H 1 0.856634 0.007586 . . . 248 THR N . 248 THR H 50284 3 121 . 1 1 137 137 MET N N 15 . 1 1 137 137 MET H H 1 0.786966 0.007265 . . . 249 MET N . 249 MET H 50284 3 122 . 1 1 138 138 ILE N N 15 . 1 1 138 138 ILE H H 1 0.790603 0.007484 . . . 250 ILE N . 250 ILE H 50284 3 stop_ save_