############################## # 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 50285 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name 'O-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' . . . 50285 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 . . 50285 1 3 $software_3 . . 50285 1 4 $software_4 . . 50285 1 5 $software_5 . . 50285 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 0.429806 0.271753 . . . 114 LEU N . 114 LEU H 50285 1 2 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.663988 0.028484 . . . 115 ILE N . 115 ILE H 50285 1 3 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 0.752449 0.036005 . . . 116 VAL N . 116 VAL H 50285 1 4 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.804974 0.042019 . . . 118 TYR N . 118 TYR H 50285 1 5 . 1 1 7 7 ASN N N 15 . 1 1 7 7 ASN H H 1 0.835797 0.050197 . . . 119 ASN N . 119 ASN H 50285 1 6 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.752489 0.037593 . . . 120 LEU N . 120 LEU H 50285 1 7 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.935866 0.046841 . . . 122 LEU N . 122 LEU H 50285 1 8 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.739443 0.340871 . . . 124 GLY N . 124 GLY H 50285 1 9 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.793516 0.033882 . . . 125 GLY N . 125 GLY H 50285 1 10 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.726788 0.034752 . . . 126 VAL N . 126 VAL H 50285 1 11 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.748302 0.037979 . . . 127 VAL N . 127 VAL H 50285 1 12 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.764686 0.041198 . . . 129 ARG N . 129 ARG H 50285 1 13 . 1 1 18 18 MET N N 15 . 1 1 18 18 MET H H 1 0.772385 0.031570 . . . 130 MET N . 130 MET H 50285 1 14 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.753068 0.043078 . . . 131 LEU N . 131 LEU H 50285 1 15 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.839686 0.045023 . . . 132 ILE N . 132 ILE H 50285 1 16 . 1 1 21 21 THR N N 15 . 1 1 21 21 THR H H 1 0.842792 0.038263 . . . 133 THR N . 133 THR H 50285 1 17 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.821885 0.040416 . . . 134 ILE N . 134 ILE H 50285 1 18 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.835490 0.044525 . . . 135 LEU N . 135 LEU H 50285 1 19 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.797503 0.028401 . . . 136 GLY N . 136 GLY H 50285 1 20 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.844989 0.042243 . . . 137 THR N . 137 THR H 50285 1 21 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.860408 0.034300 . . . 138 VAL N . 138 VAL H 50285 1 22 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.885840 0.045114 . . . 139 LYS N . 139 LYS H 50285 1 23 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.935361 0.290382 . . . 141 ASN N . 141 ASN H 50285 1 24 . 1 1 30 30 ALA N N 15 . 1 1 30 30 ALA H H 1 0.728734 0.023168 . . . 142 ALA N . 142 ALA H 50285 1 25 . 1 1 31 31 ASN N N 15 . 1 1 31 31 ASN H H 1 0.809399 0.049942 . . . 143 ASN N . 143 ASN H 50285 1 26 . 1 1 32 32 ARG N N 15 . 1 1 32 32 ARG H H 1 0.874580 0.037835 . . . 144 ARG N . 144 ARG H 50285 1 27 . 1 1 33 33 ILE N N 15 . 1 1 33 33 ILE H H 1 0.720073 0.039249 . . . 145 ILE N . 145 ILE H 50285 1 28 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.871352 0.039010 . . . 146 ALA N . 146 ALA H 50285 1 29 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.878108 0.051564 . . . 147 LEU N . 147 LEU H 50285 1 30 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.855801 0.042373 . . . 148 ASP N . 148 ASP H 50285 1 31 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.839165 0.035173 . . . 149 PHE N . 149 PHE H 50285 1 32 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.863677 0.045184 . . . 150 GLN N . 150 GLN H 50285 1 33 . 1 1 39 39 ARG N N 15 . 1 1 39 39 ARG H H 1 0.845026 0.047334 . . . 151 ARG N . 151 ARG H 50285 1 34 . 1 1 42 42 ASP N N 15 . 1 1 42 42 ASP H H 1 0.840252 0.036201 . . . 154 ASP N . 154 ASP H 50285 1 35 . 1 1 43 43 VAL N N 15 . 1 1 43 43 VAL H H 1 0.791099 0.045548 . . . 155 VAL N . 155 VAL H 50285 1 36 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 0.829667 0.029056 . . . 156 ALA N . 156 ALA H 50285 1 37 . 1 1 45 45 PHE N N 15 . 1 1 45 45 PHE H H 1 0.864052 0.034920 . . . 157 PHE N . 157 PHE H 50285 1 38 . 1 1 46 46 HIS N N 15 . 1 1 46 46 HIS H H 1 0.812046 0.051653 . . . 158 HIS N . 158 HIS H 50285 1 39 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.829465 0.044374 . . . 159 PHE N . 159 PHE H 50285 1 40 . 1 1 48 48 ASN N N 15 . 1 1 48 48 ASN H H 1 0.865203 0.045872 . . . 160 ASN N . 160 ASN H 50285 1 41 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.814314 0.048382 . . . 162 ARG N . 162 ARG H 50285 1 42 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.901085 0.054403 . . . 163 PHE N . 163 PHE H 50285 1 43 . 1 1 52 52 ASN N N 15 . 1 1 52 52 ASN H H 1 0.816376 0.040435 . . . 164 ASN N . 164 ASN H 50285 1 44 . 1 1 53 53 GLU N N 15 . 1 1 53 53 GLU H H 1 0.712838 0.027142 . . . 165 GLU N . 165 GLU H 50285 1 45 . 1 1 55 55 ASN N N 15 . 1 1 55 55 ASN H H 1 0.750152 0.034814 . . . 167 ASN N . 167 ASN H 50285 1 46 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.745153 0.029606 . . . 168 ARG N . 168 ARG H 50285 1 47 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.778398 0.036290 . . . 169 ARG N . 169 ARG H 50285 1 48 . 1 1 58 58 VAL N N 15 . 1 1 58 58 VAL H H 1 0.768712 0.027208 . . . 170 VAL N . 170 VAL H 50285 1 49 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 0.816626 0.040828 . . . 171 ILE N . 171 ILE H 50285 1 50 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.736279 0.036858 . . . 172 VAL N . 172 VAL H 50285 1 51 . 1 1 61 61 CYS N N 15 . 1 1 61 61 CYS H H 1 0.970284 0.056022 . . . 173 CYS N . 173 CYS H 50285 1 52 . 1 1 62 62 ASN N N 15 . 1 1 62 62 ASN H H 1 0.772797 0.033190 . . . 174 ASN N . 174 ASN H 50285 1 53 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.812351 0.041765 . . . 175 THR N . 175 THR H 50285 1 54 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.923440 0.053265 . . . 176 LYS N . 176 LYS H 50285 1 55 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.835141 0.041965 . . . 177 LEU N . 177 LEU H 50285 1 56 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.757424 0.031923 . . . 178 ASP N . 178 ASP H 50285 1 57 . 1 1 67 67 ASN N N 15 . 1 1 67 67 ASN H H 1 0.832891 0.038604 . . . 179 ASN N . 179 ASN H 50285 1 58 . 1 1 68 68 ASN N N 15 . 1 1 68 68 ASN H H 1 0.795978 0.028487 . . . 180 ASN N . 180 ASN H 50285 1 59 . 1 1 69 69 TRP N N 15 . 1 1 69 69 TRP H H 1 0.911280 0.054836 . . . 181 TRP N . 181 TRP H 50285 1 60 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.790234 0.039248 . . . 182 GLY N . 182 GLY H 50285 1 61 . 1 1 71 71 ARG N N 15 . 1 1 71 71 ARG H H 1 0.877615 0.049153 . . . 183 ARG N . 183 ARG H 50285 1 62 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.750327 0.032273 . . . 184 GLU N . 184 GLU H 50285 1 63 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.746709 0.039007 . . . 185 GLU N . 185 GLU H 50285 1 64 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.744612 0.115358 . . . 186 ARG N . 186 ARG H 50285 1 65 . 1 1 75 75 GLN N N 15 . 1 1 75 75 GLN H H 1 0.859486 0.046179 . . . 187 GLN N . 187 GLN H 50285 1 66 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.794636 0.035728 . . . 189 VAL N . 189 VAL H 50285 1 67 . 1 1 78 78 PHE N N 15 . 1 1 78 78 PHE H H 1 0.861911 0.066429 . . . 190 PHE N . 190 PHE H 50285 1 68 . 1 1 80 80 PHE N N 15 . 1 1 80 80 PHE H H 1 0.796504 0.029967 . . . 192 PHE N . 192 PHE H 50285 1 69 . 1 1 81 81 GLU N N 15 . 1 1 81 81 GLU H H 1 0.823051 0.020884 . . . 193 GLU N . 193 GLU H 50285 1 70 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.896295 0.107067 . . . 194 SER N . 194 SER H 50285 1 71 . 1 1 83 83 GLY N N 15 . 1 1 83 83 GLY H H 1 0.747818 0.038322 . . . 195 GLY N . 195 GLY H 50285 1 72 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.855985 0.036275 . . . 196 LYS N . 196 LYS H 50285 1 73 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.791513 0.032061 . . . 198 PHE N . 198 PHE H 50285 1 74 . 1 1 87 87 LYS N N 15 . 1 1 87 87 LYS H H 1 0.854417 0.044894 . . . 199 LYS N . 199 LYS H 50285 1 75 . 1 1 88 88 ILE N N 15 . 1 1 88 88 ILE H H 1 0.863969 0.041462 . . . 200 ILE N . 200 ILE H 50285 1 76 . 1 1 89 89 GLN N N 15 . 1 1 89 89 GLN H H 1 0.853893 0.031289 . . . 201 GLN N . 201 GLN H 50285 1 77 . 1 1 90 90 VAL N N 15 . 1 1 90 90 VAL H H 1 0.838440 0.045707 . . . 202 VAL N . 202 VAL H 50285 1 78 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 0.878399 0.052662 . . . 203 LEU N . 203 LEU H 50285 1 79 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.898429 0.049333 . . . 204 VAL N . 204 VAL H 50285 1 80 . 1 1 93 93 GLU N N 15 . 1 1 93 93 GLU H H 1 1.016444 0.066405 . . . 205 GLU N . 205 GLU H 50285 1 81 . 1 1 95 95 ASP N N 15 . 1 1 95 95 ASP H H 1 0.841245 0.071718 . . . 207 ASP N . 207 ASP H 50285 1 82 . 1 1 96 96 HIS N N 15 . 1 1 96 96 HIS H H 1 0.782958 0.038992 . . . 208 HIS N . 208 HIS H 50285 1 83 . 1 1 97 97 PHE N N 15 . 1 1 97 97 PHE H H 1 0.876417 0.053264 . . . 209 PHE N . 209 PHE H 50285 1 84 . 1 1 98 98 LYS N N 15 . 1 1 98 98 LYS H H 1 0.827557 0.044748 . . . 210 LYS N . 210 LYS H 50285 1 85 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 0.827944 0.057682 . . . 211 VAL N . 211 VAL H 50285 1 86 . 1 1 100 100 ALA N N 15 . 1 1 100 100 ALA H H 1 0.910414 0.046649 . . . 212 ALA N . 212 ALA H 50285 1 87 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.757137 0.037932 . . . 213 VAL N . 213 VAL H 50285 1 88 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.846565 0.038187 . . . 214 ASN N . 214 ASN H 50285 1 89 . 1 1 103 103 ASP N N 15 . 1 1 103 103 ASP H H 1 0.848387 0.040103 . . . 215 ASP N . 215 ASP H 50285 1 90 . 1 1 104 104 ALA N N 15 . 1 1 104 104 ALA H H 1 0.818435 0.028909 . . . 216 ALA N . 216 ALA H 50285 1 91 . 1 1 106 106 LEU N N 15 . 1 1 106 106 LEU H H 1 0.896559 0.067370 . . . 218 LEU N . 218 LEU H 50285 1 92 . 1 1 107 107 LEU N N 15 . 1 1 107 107 LEU H H 1 0.833239 0.047659 . . . 219 LEU N . 219 LEU H 50285 1 93 . 1 1 108 108 GLN N N 15 . 1 1 108 108 GLN H H 1 0.750336 0.039137 . . . 220 GLN N . 220 GLN H 50285 1 94 . 1 1 109 109 TYR N N 15 . 1 1 109 109 TYR H H 1 0.987743 0.114482 . . . 221 TYR N . 221 TYR H 50285 1 95 . 1 1 110 110 ASN N N 15 . 1 1 110 110 ASN H H 1 0.812649 0.032399 . . . 222 ASN N . 222 ASN H 50285 1 96 . 1 1 111 111 HIS N N 15 . 1 1 111 111 HIS H H 1 0.800530 0.032969 . . . 223 HIS N . 223 HIS H 50285 1 97 . 1 1 112 112 ARG N N 15 . 1 1 112 112 ARG H H 1 0.811780 0.064584 . . . 224 ARG N . 224 ARG H 50285 1 98 . 1 1 113 113 VAL N N 15 . 1 1 113 113 VAL H H 1 0.822755 0.054516 . . . 225 VAL N . 225 VAL H 50285 1 99 . 1 1 115 115 LYS N N 15 . 1 1 115 115 LYS H H 1 0.729381 0.107340 . . . 227 LYS N . 227 LYS H 50285 1 100 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.893057 0.041352 . . . 228 LEU N . 228 LEU H 50285 1 101 . 1 1 117 117 ASN N N 15 . 1 1 117 117 ASN H H 1 0.804845 0.030289 . . . 229 ASN N . 229 ASN H 50285 1 102 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.842388 0.040780 . . . 230 GLU N . 230 GLU H 50285 1 103 . 1 1 119 119 ILE N N 15 . 1 1 119 119 ILE H H 1 0.857842 0.038499 . . . 231 ILE N . 231 ILE H 50285 1 104 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.719376 0.036396 . . . 232 SER N . 232 SER H 50285 1 105 . 1 1 121 121 LYS N N 15 . 1 1 121 121 LYS H H 1 0.827216 0.031024 . . . 233 LYS N . 233 LYS H 50285 1 106 . 1 1 122 122 LEU N N 15 . 1 1 122 122 LEU H H 1 0.746191 0.039007 . . . 234 LEU N . 234 LEU H 50285 1 107 . 1 1 123 123 GLY N N 15 . 1 1 123 123 GLY H H 1 0.865987 0.046853 . . . 235 GLY N . 235 GLY H 50285 1 108 . 1 1 124 124 ILE N N 15 . 1 1 124 124 ILE H H 1 0.885615 0.053110 . . . 236 ILE N . 236 ILE H 50285 1 109 . 1 1 125 125 SER N N 15 . 1 1 125 125 SER H H 1 0.816603 0.024225 . . . 237 SER N . 237 SER H 50285 1 110 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.860528 0.050500 . . . 238 GLY N . 238 GLY H 50285 1 111 . 1 1 127 127 ASP N N 15 . 1 1 127 127 ASP H H 1 0.804585 0.021616 . . . 239 ASP N . 239 ASP H 50285 1 112 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.778157 0.035682 . . . 240 ILE N . 240 ILE H 50285 1 113 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.862637 0.047057 . . . 241 ASP N . 241 ASP H 50285 1 114 . 1 1 130 130 LEU N N 15 . 1 1 130 130 LEU H H 1 0.774035 0.039794 . . . 242 LEU N . 242 LEU H 50285 1 115 . 1 1 131 131 THR N N 15 . 1 1 131 131 THR H H 1 0.830381 0.052673 . . . 243 THR N . 243 THR H 50285 1 116 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.759771 0.032206 . . . 244 SER N . 244 SER H 50285 1 117 . 1 1 133 133 ALA N N 15 . 1 1 133 133 ALA H H 1 0.801318 0.034488 . . . 245 ALA N . 245 ALA H 50285 1 118 . 1 1 134 134 SER N N 15 . 1 1 134 134 SER H H 1 0.836005 0.032556 . . . 246 SER N . 246 SER H 50285 1 119 . 1 1 135 135 TYR N N 15 . 1 1 135 135 TYR H H 1 0.847717 0.032766 . . . 247 TYR N . 247 TYR H 50285 1 120 . 1 1 136 136 THR N N 15 . 1 1 136 136 THR H H 1 0.778187 0.034726 . . . 248 THR N . 248 THR H 50285 1 121 . 1 1 137 137 MET N N 15 . 1 1 137 137 MET H H 1 0.744042 0.035597 . . . 249 MET N . 249 MET H 50285 1 122 . 1 1 138 138 ILE N N 15 . 1 1 138 138 ILE H H 1 0.781294 0.039068 . . . 250 ILE N . 250 ILE H 50285 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 50285 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name 'O-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' . . . 50285 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 . . 50285 2 3 $software_3 . . 50285 2 4 $software_4 . . 50285 2 5 $software_5 . . 50285 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 0.369149 0.129135 . . . 114 LEU N . 114 LEU H 50285 2 2 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.668267 0.013522 . . . 115 ILE N . 115 ILE H 50285 2 3 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 0.669794 0.016123 . . . 116 VAL N . 116 VAL H 50285 2 4 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.815109 0.022622 . . . 118 TYR N . 118 TYR H 50285 2 5 . 1 1 7 7 ASN N N 15 . 1 1 7 7 ASN H H 1 0.763001 0.024684 . . . 119 ASN N . 119 ASN H 50285 2 6 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.784175 0.019855 . . . 120 LEU N . 120 LEU H 50285 2 7 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.782167 0.020794 . . . 122 LEU N . 122 LEU H 50285 2 8 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.993695 0.357687 . . . 124 GLY N . 124 GLY H 50285 2 9 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.793138 0.016970 . . . 125 GLY N . 125 GLY H 50285 2 10 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.751420 0.018844 . . . 126 VAL N . 126 VAL H 50285 2 11 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.771058 0.020187 . . . 127 VAL N . 127 VAL H 50285 2 12 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.783883 0.021330 . . . 129 ARG N . 129 ARG H 50285 2 13 . 1 1 18 18 MET N N 15 . 1 1 18 18 MET H H 1 0.803006 0.017791 . . . 130 MET N . 130 MET H 50285 2 14 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.797024 0.022833 . . . 131 LEU N . 131 LEU H 50285 2 15 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.823488 0.022689 . . . 132 ILE N . 132 ILE H 50285 2 16 . 1 1 21 21 THR N N 15 . 1 1 21 21 THR H H 1 0.789548 0.018477 . . . 133 THR N . 133 THR H 50285 2 17 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.821920 0.020833 . . . 134 ILE N . 134 ILE H 50285 2 18 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.805093 0.020976 . . . 135 LEU N . 135 LEU H 50285 2 19 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.769629 0.013340 . . . 136 GLY N . 136 GLY H 50285 2 20 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.802435 0.019485 . . . 137 THR N . 137 THR H 50285 2 21 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.781334 0.018262 . . . 138 VAL N . 138 VAL H 50285 2 22 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.801772 0.021323 . . . 139 LYS N . 139 LYS H 50285 2 23 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.762376 0.123311 . . . 141 ASN N . 141 ASN H 50285 2 24 . 1 1 30 30 ALA N N 15 . 1 1 30 30 ALA H H 1 0.709144 0.010827 . . . 142 ALA N . 142 ALA H 50285 2 25 . 1 1 31 31 ASN N N 15 . 1 1 31 31 ASN H H 1 0.803230 0.025978 . . . 143 ASN N . 143 ASN H 50285 2 26 . 1 1 32 32 ARG N N 15 . 1 1 32 32 ARG H H 1 0.824785 0.019168 . . . 144 ARG N . 144 ARG H 50285 2 27 . 1 1 33 33 ILE N N 15 . 1 1 33 33 ILE H H 1 0.787321 0.011601 . . . 145 ILE N . 145 ILE H 50285 2 28 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.796373 0.017763 . . . 146 ALA N . 146 ALA H 50285 2 29 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.802326 0.024845 . . . 147 LEU N . 147 LEU H 50285 2 30 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.778795 0.018998 . . . 148 ASP N . 148 ASP H 50285 2 31 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.821975 0.021180 . . . 149 PHE N . 149 PHE H 50285 2 32 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.752768 0.020321 . . . 150 GLN N . 150 GLN H 50285 2 33 . 1 1 39 39 ARG N N 15 . 1 1 39 39 ARG H H 1 0.801438 0.024298 . . . 151 ARG N . 151 ARG H 50285 2 34 . 1 1 42 42 ASP N N 15 . 1 1 42 42 ASP H H 1 0.775673 0.016806 . . . 154 ASP N . 154 ASP H 50285 2 35 . 1 1 43 43 VAL N N 15 . 1 1 43 43 VAL H H 1 0.799399 0.024220 . . . 155 VAL N . 155 VAL H 50285 2 36 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 0.805046 0.017072 . . . 156 ALA N . 156 ALA H 50285 2 37 . 1 1 45 45 PHE N N 15 . 1 1 45 45 PHE H H 1 0.844431 0.018911 . . . 157 PHE N . 157 PHE H 50285 2 38 . 1 1 46 46 HIS N N 15 . 1 1 46 46 HIS H H 1 0.813378 0.026730 . . . 158 HIS N . 158 HIS H 50285 2 39 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.801280 0.022113 . . . 159 PHE N . 159 PHE H 50285 2 40 . 1 1 48 48 ASN N N 15 . 1 1 48 48 ASN H H 1 0.798616 0.022431 . . . 160 ASN N . 160 ASN H 50285 2 41 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.774563 0.025841 . . . 162 ARG N . 162 ARG H 50285 2 42 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.807920 0.027722 . . . 163 PHE N . 163 PHE H 50285 2 43 . 1 1 52 52 ASN N N 15 . 1 1 52 52 ASN H H 1 0.764822 0.019715 . . . 164 ASN N . 164 ASN H 50285 2 44 . 1 1 53 53 GLU N N 15 . 1 1 53 53 GLU H H 1 0.712336 0.015699 . . . 165 GLU N . 165 GLU H 50285 2 45 . 1 1 55 55 ASN N N 15 . 1 1 55 55 ASN H H 1 0.785176 0.018156 . . . 167 ASN N . 167 ASN H 50285 2 46 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.775728 0.016027 . . . 168 ARG N . 168 ARG H 50285 2 47 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.748725 0.018710 . . . 169 ARG N . 169 ARG H 50285 2 48 . 1 1 58 58 VAL N N 15 . 1 1 58 58 VAL H H 1 0.785965 0.016329 . . . 170 VAL N . 170 VAL H 50285 2 49 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 0.781148 0.020203 . . . 171 ILE N . 171 ILE H 50285 2 50 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.798336 0.020984 . . . 172 VAL N . 172 VAL H 50285 2 51 . 1 1 61 61 CYS N N 15 . 1 1 61 61 CYS H H 1 0.777410 0.025015 . . . 173 CYS N . 173 CYS H 50285 2 52 . 1 1 62 62 ASN N N 15 . 1 1 62 62 ASN H H 1 0.809433 0.017857 . . . 174 ASN N . 174 ASN H 50285 2 53 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.796790 0.022845 . . . 175 THR N . 175 THR H 50285 2 54 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.823461 0.023092 . . . 176 LYS N . 176 LYS H 50285 2 55 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.787180 0.011557 . . . 177 LEU N . 177 LEU H 50285 2 56 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.784045 0.017972 . . . 178 ASP N . 178 ASP H 50285 2 57 . 1 1 67 67 ASN N N 15 . 1 1 67 67 ASN H H 1 0.803211 0.017788 . . . 179 ASN N . 179 ASN H 50285 2 58 . 1 1 68 68 ASN N N 15 . 1 1 68 68 ASN H H 1 0.782276 0.014870 . . . 180 ASN N . 180 ASN H 50285 2 59 . 1 1 69 69 TRP N N 15 . 1 1 69 69 TRP H H 1 0.818432 0.024480 . . . 181 TRP N . 181 TRP H 50285 2 60 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.814723 0.021467 . . . 182 GLY N . 182 GLY H 50285 2 61 . 1 1 71 71 ARG N N 15 . 1 1 71 71 ARG H H 1 0.848663 0.023822 . . . 183 ARG N . 183 ARG H 50285 2 62 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.795139 0.016629 . . . 184 GLU N . 184 GLU H 50285 2 63 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.817894 0.022551 . . . 185 GLU N . 185 GLU H 50285 2 64 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.722483 0.061351 . . . 186 ARG N . 186 ARG H 50285 2 65 . 1 1 75 75 GLN N N 15 . 1 1 75 75 GLN H H 1 0.784045 0.021007 . . . 187 GLN N . 187 GLN H 50285 2 66 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.784143 0.020194 . . . 189 VAL N . 189 VAL H 50285 2 67 . 1 1 78 78 PHE N N 15 . 1 1 78 78 PHE H H 1 0.776256 0.029786 . . . 190 PHE N . 190 PHE H 50285 2 68 . 1 1 80 80 PHE N N 15 . 1 1 80 80 PHE H H 1 0.741657 0.007817 . . . 192 PHE N . 192 PHE H 50285 2 69 . 1 1 81 81 GLU N N 15 . 1 1 81 81 GLU H H 1 0.796592 0.010314 . . . 193 GLU N . 193 GLU H 50285 2 70 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.781679 0.038057 . . . 194 SER N . 194 SER H 50285 2 71 . 1 1 83 83 GLY N N 15 . 1 1 83 83 GLY H H 1 0.796613 0.022136 . . . 195 GLY N . 195 GLY H 50285 2 72 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.977325 0.024605 . . . 196 LYS N . 196 LYS H 50285 2 73 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.775829 0.015954 . . . 198 PHE N . 198 PHE H 50285 2 74 . 1 1 87 87 LYS N N 15 . 1 1 87 87 LYS H H 1 0.790996 0.023695 . . . 199 LYS N . 199 LYS H 50285 2 75 . 1 1 88 88 ILE N N 15 . 1 1 88 88 ILE H H 1 0.772960 0.019591 . . . 200 ILE N . 200 ILE H 50285 2 76 . 1 1 89 89 GLN N N 15 . 1 1 89 89 GLN H H 1 0.793370 0.018400 . . . 201 GLN N . 201 GLN H 50285 2 77 . 1 1 90 90 VAL N N 15 . 1 1 90 90 VAL H H 1 0.817518 0.023579 . . . 202 VAL N . 202 VAL H 50285 2 78 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 0.814798 0.024808 . . . 203 LEU N . 203 LEU H 50285 2 79 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.791227 0.022378 . . . 204 VAL N . 204 VAL H 50285 2 80 . 1 1 93 93 GLU N N 15 . 1 1 93 93 GLU H H 1 0.833371 0.021506 . . . 205 GLU N . 205 GLU H 50285 2 81 . 1 1 95 95 ASP N N 15 . 1 1 95 95 ASP H H 1 0.809142 0.024528 . . . 207 ASP N . 207 ASP H 50285 2 82 . 1 1 96 96 HIS N N 15 . 1 1 96 96 HIS H H 1 0.774623 0.021121 . . . 208 HIS N . 208 HIS H 50285 2 83 . 1 1 97 97 PHE N N 15 . 1 1 97 97 PHE H H 1 0.796009 0.024440 . . . 209 PHE N . 209 PHE H 50285 2 84 . 1 1 98 98 LYS N N 15 . 1 1 98 98 LYS H H 1 0.838867 0.026308 . . . 210 LYS N . 210 LYS H 50285 2 85 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 0.842299 0.054601 . . . 211 VAL N . 211 VAL H 50285 2 86 . 1 1 100 100 ALA N N 15 . 1 1 100 100 ALA H H 1 0.832340 0.019737 . . . 212 ALA N . 212 ALA H 50285 2 87 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.777022 0.021464 . . . 213 VAL N . 213 VAL H 50285 2 88 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.773141 0.020468 . . . 214 ASN N . 214 ASN H 50285 2 89 . 1 1 103 103 ASP N N 15 . 1 1 103 103 ASP H H 1 0.810807 0.019286 . . . 215 ASP N . 215 ASP H 50285 2 90 . 1 1 104 104 ALA N N 15 . 1 1 104 104 ALA H H 1 0.809824 0.014644 . . . 216 ALA N . 216 ALA H 50285 2 91 . 1 1 106 106 LEU N N 15 . 1 1 106 106 LEU H H 1 0.805090 0.015821 . . . 218 LEU N . 218 LEU H 50285 2 92 . 1 1 107 107 LEU N N 15 . 1 1 107 107 LEU H H 1 0.828209 0.025756 . . . 219 LEU N . 219 LEU H 50285 2 93 . 1 1 108 108 GLN N N 15 . 1 1 108 108 GLN H H 1 0.776282 0.020294 . . . 220 GLN N . 220 GLN H 50285 2 94 . 1 1 109 109 TYR N N 15 . 1 1 109 109 TYR H H 1 0.835968 0.022761 . . . 221 TYR N . 221 TYR H 50285 2 95 . 1 1 110 110 ASN N N 15 . 1 1 110 110 ASN H H 1 0.802949 0.015759 . . . 222 ASN N . 222 ASN H 50285 2 96 . 1 1 111 111 HIS N N 15 . 1 1 111 111 HIS H H 1 0.813547 0.016982 . . . 223 HIS N . 223 HIS H 50285 2 97 . 1 1 112 112 ARG N N 15 . 1 1 112 112 ARG H H 1 0.805168 0.038362 . . . 224 ARG N . 224 ARG H 50285 2 98 . 1 1 113 113 VAL N N 15 . 1 1 113 113 VAL H H 1 0.740703 0.025047 . . . 225 VAL N . 225 VAL H 50285 2 99 . 1 1 115 115 LYS N N 15 . 1 1 115 115 LYS H H 1 0.753950 0.058149 . . . 227 LYS N . 227 LYS H 50285 2 100 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.777876 0.019134 . . . 228 LEU N . 228 LEU H 50285 2 101 . 1 1 117 117 ASN N N 15 . 1 1 117 117 ASN H H 1 0.792387 0.015062 . . . 229 ASN N . 229 ASN H 50285 2 102 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.754609 0.019041 . . . 230 GLU N . 230 GLU H 50285 2 103 . 1 1 119 119 ILE N N 15 . 1 1 119 119 ILE H H 1 0.787037 0.019257 . . . 231 ILE N . 231 ILE H 50285 2 104 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.714732 0.018603 . . . 232 SER N . 232 SER H 50285 2 105 . 1 1 121 121 LYS N N 15 . 1 1 121 121 LYS H H 1 0.813487 0.016262 . . . 233 LYS N . 233 LYS H 50285 2 106 . 1 1 122 122 LEU N N 15 . 1 1 122 122 LEU H H 1 0.802507 0.023950 . . . 234 LEU N . 234 LEU H 50285 2 107 . 1 1 123 123 GLY N N 15 . 1 1 123 123 GLY H H 1 0.794771 0.022323 . . . 235 GLY N . 235 GLY H 50285 2 108 . 1 1 124 124 ILE N N 15 . 1 1 124 124 ILE H H 1 0.818777 0.025339 . . . 236 ILE N . 236 ILE H 50285 2 109 . 1 1 125 125 SER N N 15 . 1 1 125 125 SER H H 1 0.812497 0.020956 . . . 237 SER N . 237 SER H 50285 2 110 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.765006 0.022833 . . . 238 GLY N . 238 GLY H 50285 2 111 . 1 1 127 127 ASP N N 15 . 1 1 127 127 ASP H H 1 0.788152 0.016598 . . . 239 ASP N . 239 ASP H 50285 2 112 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.800559 0.020705 . . . 240 ILE N . 240 ILE H 50285 2 113 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.798886 0.012810 . . . 241 ASP N . 241 ASP H 50285 2 114 . 1 1 130 130 LEU N N 15 . 1 1 130 130 LEU H H 1 0.782702 0.020527 . . . 242 LEU N . 242 LEU H 50285 2 115 . 1 1 131 131 THR N N 15 . 1 1 131 131 THR H H 1 0.809477 0.027119 . . . 243 THR N . 243 THR H 50285 2 116 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.779781 0.016870 . . . 244 SER N . 244 SER H 50285 2 117 . 1 1 133 133 ALA N N 15 . 1 1 133 133 ALA H H 1 0.802322 0.017798 . . . 245 ALA N . 245 ALA H 50285 2 118 . 1 1 134 134 SER N N 15 . 1 1 134 134 SER H H 1 0.791657 0.015570 . . . 246 SER N . 246 SER H 50285 2 119 . 1 1 135 135 TYR N N 15 . 1 1 135 135 TYR H H 1 0.813509 0.016179 . . . 247 TYR N . 247 TYR H 50285 2 120 . 1 1 136 136 THR N N 15 . 1 1 136 136 THR H H 1 0.811186 0.017384 . . . 248 THR N . 248 THR H 50285 2 121 . 1 1 137 137 MET N N 15 . 1 1 137 137 MET H H 1 0.761556 0.019080 . . . 249 MET N . 249 MET H 50285 2 122 . 1 1 138 138 ILE N N 15 . 1 1 138 138 ILE H H 1 0.770322 0.018953 . . . 250 ILE N . 250 ILE H 50285 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 50285 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Name 'O-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' . . . 50285 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 . . 50285 3 3 $software_3 . . 50285 3 4 $software_4 . . 50285 3 5 $software_5 . . 50285 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 0.453318 0.039029 . . . 114 LEU N . 114 LEU H 50285 3 2 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.706790 0.007628 . . . 115 ILE N . 115 ILE H 50285 3 3 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 0.727048 0.008928 . . . 116 VAL N . 116 VAL H 50285 3 4 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.832077 0.010526 . . . 118 TYR N . 118 TYR H 50285 3 5 . 1 1 7 7 ASN N N 15 . 1 1 7 7 ASN H H 1 0.833618 0.012971 . . . 119 ASN N . 119 ASN H 50285 3 6 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.824816 0.010727 . . . 120 LEU N . 120 LEU H 50285 3 7 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.827557 0.010208 . . . 122 LEU N . 122 LEU H 50285 3 8 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.838138 0.096272 . . . 124 GLY N . 124 GLY H 50285 3 9 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.825558 0.009637 . . . 125 GLY N . 125 GLY H 50285 3 10 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.781311 0.009521 . . . 126 VAL N . 126 VAL H 50285 3 11 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.818363 0.010879 . . . 127 VAL N . 127 VAL H 50285 3 12 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.845859 0.011671 . . . 129 ARG N . 129 ARG H 50285 3 13 . 1 1 18 18 MET N N 15 . 1 1 18 18 MET H H 1 0.835226 0.009398 . . . 130 MET N . 130 MET H 50285 3 14 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.855623 0.012310 . . . 131 LEU N . 131 LEU H 50285 3 15 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.837832 0.011341 . . . 132 ILE N . 132 ILE H 50285 3 16 . 1 1 21 21 THR N N 15 . 1 1 21 21 THR H H 1 0.847222 0.009247 . . . 133 THR N . 133 THR H 50285 3 17 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.843092 0.010511 . . . 134 ILE N . 134 ILE H 50285 3 18 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.855386 0.010543 . . . 135 LEU N . 135 LEU H 50285 3 19 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.844171 0.008723 . . . 136 GLY N . 136 GLY H 50285 3 20 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.839234 0.010320 . . . 137 THR N . 137 THR H 50285 3 21 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.837483 0.010234 . . . 138 VAL N . 138 VAL H 50285 3 22 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.850004 0.011676 . . . 139 LYS N . 139 LYS H 50285 3 23 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.775649 0.049484 . . . 141 ASN N . 141 ASN H 50285 3 24 . 1 1 30 30 ALA N N 15 . 1 1 30 30 ALA H H 1 0.740117 0.007038 . . . 142 ALA N . 142 ALA H 50285 3 25 . 1 1 31 31 ASN N N 15 . 1 1 31 31 ASN H H 1 0.844455 0.012677 . . . 143 ASN N . 143 ASN H 50285 3 26 . 1 1 32 32 ARG N N 15 . 1 1 32 32 ARG H H 1 0.844381 0.010498 . . . 144 ARG N . 144 ARG H 50285 3 27 . 1 1 33 33 ILE N N 15 . 1 1 33 33 ILE H H 1 0.840539 0.011158 . . . 145 ILE N . 145 ILE H 50285 3 28 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.856858 0.010379 . . . 146 ALA N . 146 ALA H 50285 3 29 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.847699 0.011834 . . . 147 LEU N . 147 LEU H 50285 3 30 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.841599 0.010079 . . . 148 ASP N . 148 ASP H 50285 3 31 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.848483 0.008595 . . . 149 PHE N . 149 PHE H 50285 3 32 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.845360 0.010862 . . . 150 GLN N . 150 GLN H 50285 3 33 . 1 1 39 39 ARG N N 15 . 1 1 39 39 ARG H H 1 0.838817 0.011406 . . . 151 ARG N . 151 ARG H 50285 3 34 . 1 1 42 42 ASP N N 15 . 1 1 42 42 ASP H H 1 0.842654 0.009135 . . . 154 ASP N . 154 ASP H 50285 3 35 . 1 1 43 43 VAL N N 15 . 1 1 43 43 VAL H H 1 0.829568 0.011963 . . . 155 VAL N . 155 VAL H 50285 3 36 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 0.849180 0.007868 . . . 156 ALA N . 156 ALA H 50285 3 37 . 1 1 45 45 PHE N N 15 . 1 1 45 45 PHE H H 1 0.843708 0.009561 . . . 157 PHE N . 157 PHE H 50285 3 38 . 1 1 46 46 HIS N N 15 . 1 1 46 46 HIS H H 1 0.863719 0.014208 . . . 158 HIS N . 158 HIS H 50285 3 39 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.848657 0.011196 . . . 159 PHE N . 159 PHE H 50285 3 40 . 1 1 48 48 ASN N N 15 . 1 1 48 48 ASN H H 1 0.847437 0.011658 . . . 160 ASN N . 160 ASN H 50285 3 41 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.849897 0.012484 . . . 162 ARG N . 162 ARG H 50285 3 42 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.850124 0.013625 . . . 163 PHE N . 163 PHE H 50285 3 43 . 1 1 52 52 ASN N N 15 . 1 1 52 52 ASN H H 1 0.825526 0.010753 . . . 164 ASN N . 164 ASN H 50285 3 44 . 1 1 53 53 GLU N N 15 . 1 1 53 53 GLU H H 1 0.776008 0.009077 . . . 165 GLU N . 165 GLU H 50285 3 45 . 1 1 55 55 ASN N N 15 . 1 1 55 55 ASN H H 1 0.821402 0.010353 . . . 167 ASN N . 167 ASN H 50285 3 46 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.806941 0.008155 . . . 168 ARG N . 168 ARG H 50285 3 47 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.791853 0.009757 . . . 169 ARG N . 169 ARG H 50285 3 48 . 1 1 58 58 VAL N N 15 . 1 1 58 58 VAL H H 1 0.826080 0.006844 . . . 170 VAL N . 170 VAL H 50285 3 49 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 0.820245 0.010485 . . . 171 ILE N . 171 ILE H 50285 3 50 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.845681 0.010736 . . . 172 VAL N . 172 VAL H 50285 3 51 . 1 1 61 61 CYS N N 15 . 1 1 61 61 CYS H H 1 0.848615 0.013528 . . . 173 CYS N . 173 CYS H 50285 3 52 . 1 1 62 62 ASN N N 15 . 1 1 62 62 ASN H H 1 0.863704 0.010195 . . . 174 ASN N . 174 ASN H 50285 3 53 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.845652 0.011324 . . . 175 THR N . 175 THR H 50285 3 54 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.859331 0.012712 . . . 176 LYS N . 176 LYS H 50285 3 55 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.845621 0.010750 . . . 177 LEU N . 177 LEU H 50285 3 56 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.841615 0.009783 . . . 178 ASP N . 178 ASP H 50285 3 57 . 1 1 67 67 ASN N N 15 . 1 1 67 67 ASN H H 1 0.849022 0.011184 . . . 179 ASN N . 179 ASN H 50285 3 58 . 1 1 68 68 ASN N N 15 . 1 1 68 68 ASN H H 1 0.817583 0.008039 . . . 180 ASN N . 180 ASN H 50285 3 59 . 1 1 69 69 TRP N N 15 . 1 1 69 69 TRP H H 1 0.859655 0.012523 . . . 181 TRP N . 181 TRP H 50285 3 60 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.840413 0.010611 . . . 182 GLY N . 182 GLY H 50285 3 61 . 1 1 71 71 ARG N N 15 . 1 1 71 71 ARG H H 1 0.854373 0.011884 . . . 183 ARG N . 183 ARG H 50285 3 62 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.820391 0.009156 . . . 184 GLU N . 184 GLU H 50285 3 63 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.826537 0.010816 . . . 185 GLU N . 185 GLU H 50285 3 64 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.830109 0.029776 . . . 186 ARG N . 186 ARG H 50285 3 65 . 1 1 75 75 GLN N N 15 . 1 1 75 75 GLN H H 1 0.824998 0.010861 . . . 187 GLN N . 187 GLN H 50285 3 66 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.823841 0.010757 . . . 189 VAL N . 189 VAL H 50285 3 67 . 1 1 78 78 PHE N N 15 . 1 1 78 78 PHE H H 1 0.837806 0.014455 . . . 190 PHE N . 190 PHE H 50285 3 68 . 1 1 80 80 PHE N N 15 . 1 1 80 80 PHE H H 1 0.797291 0.011423 . . . 192 PHE N . 192 PHE H 50285 3 69 . 1 1 81 81 GLU N N 15 . 1 1 81 81 GLU H H 1 0.850233 0.005627 . . . 193 GLU N . 193 GLU H 50285 3 70 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.761484 0.017696 . . . 194 SER N . 194 SER H 50285 3 71 . 1 1 83 83 GLY N N 15 . 1 1 83 83 GLY H H 1 0.796486 0.010704 . . . 195 GLY N . 195 GLY H 50285 3 72 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.848294 0.009565 . . . 196 LYS N . 196 LYS H 50285 3 73 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.832997 0.009371 . . . 198 PHE N . 198 PHE H 50285 3 74 . 1 1 87 87 LYS N N 15 . 1 1 87 87 LYS H H 1 0.839554 0.011014 . . . 199 LYS N . 199 LYS H 50285 3 75 . 1 1 88 88 ILE N N 15 . 1 1 88 88 ILE H H 1 0.858062 0.010724 . . . 200 ILE N . 200 ILE H 50285 3 76 . 1 1 89 89 GLN N N 15 . 1 1 89 89 GLN H H 1 0.843887 0.008298 . . . 201 GLN N . 201 GLN H 50285 3 77 . 1 1 90 90 VAL N N 15 . 1 1 90 90 VAL H H 1 0.837705 0.011410 . . . 202 VAL N . 202 VAL H 50285 3 78 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 0.830176 0.015367 . . . 203 LEU N . 203 LEU H 50285 3 79 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.860952 0.013710 . . . 204 VAL N . 204 VAL H 50285 3 80 . 1 1 93 93 GLU N N 15 . 1 1 93 93 GLU H H 1 0.844695 0.011013 . . . 205 GLU N . 205 GLU H 50285 3 81 . 1 1 95 95 ASP N N 15 . 1 1 95 95 ASP H H 1 0.852238 0.028641 . . . 207 ASP N . 207 ASP H 50285 3 82 . 1 1 96 96 HIS N N 15 . 1 1 96 96 HIS H H 1 0.862916 0.016472 . . . 208 HIS N . 208 HIS H 50285 3 83 . 1 1 97 97 PHE N N 15 . 1 1 97 97 PHE H H 1 0.870068 0.012868 . . . 209 PHE N . 209 PHE H 50285 3 84 . 1 1 98 98 LYS N N 15 . 1 1 98 98 LYS H H 1 0.833166 0.013417 . . . 210 LYS N . 210 LYS H 50285 3 85 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 0.845645 0.015768 . . . 211 VAL N . 211 VAL H 50285 3 86 . 1 1 100 100 ALA N N 15 . 1 1 100 100 ALA H H 1 0.847884 0.010471 . . . 212 ALA N . 212 ALA H 50285 3 87 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.844854 0.010904 . . . 213 VAL N . 213 VAL H 50285 3 88 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.853236 0.011239 . . . 214 ASN N . 214 ASN H 50285 3 89 . 1 1 103 103 ASP N N 15 . 1 1 103 103 ASP H H 1 0.836835 0.011339 . . . 215 ASP N . 215 ASP H 50285 3 90 . 1 1 104 104 ALA N N 15 . 1 1 104 104 ALA H H 1 0.843454 0.008205 . . . 216 ALA N . 216 ALA H 50285 3 91 . 1 1 106 106 LEU N N 15 . 1 1 106 106 LEU H H 1 0.841402 0.009979 . . . 218 LEU N . 218 LEU H 50285 3 92 . 1 1 107 107 LEU N N 15 . 1 1 107 107 LEU H H 1 0.859341 0.014874 . . . 219 LEU N . 219 LEU H 50285 3 93 . 1 1 108 108 GLN N N 15 . 1 1 108 108 GLN H H 1 0.844904 0.011283 . . . 220 GLN N . 220 GLN H 50285 3 94 . 1 1 109 109 TYR N N 15 . 1 1 109 109 TYR H H 1 0.844357 0.010607 . . . 221 TYR N . 221 TYR H 50285 3 95 . 1 1 110 110 ASN N N 15 . 1 1 110 110 ASN H H 1 0.839998 0.009914 . . . 222 ASN N . 222 ASN H 50285 3 96 . 1 1 111 111 HIS N N 15 . 1 1 111 111 HIS H H 1 0.856313 0.009944 . . . 223 HIS N . 223 HIS H 50285 3 97 . 1 1 112 112 ARG N N 15 . 1 1 112 112 ARG H H 1 0.835383 0.015787 . . . 224 ARG N . 224 ARG H 50285 3 98 . 1 1 113 113 VAL N N 15 . 1 1 113 113 VAL H H 1 0.797954 0.012399 . . . 225 VAL N . 225 VAL H 50285 3 99 . 1 1 115 115 LYS N N 15 . 1 1 115 115 LYS H H 1 0.764802 0.024402 . . . 227 LYS N . 227 LYS H 50285 3 100 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.802366 0.010183 . . . 228 LEU N . 228 LEU H 50285 3 101 . 1 1 117 117 ASN N N 15 . 1 1 117 117 ASN H H 1 0.838798 0.008554 . . . 229 ASN N . 229 ASN H 50285 3 102 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.859970 0.010315 . . . 230 GLU N . 230 GLU H 50285 3 103 . 1 1 119 119 ILE N N 15 . 1 1 119 119 ILE H H 1 0.835352 0.010504 . . . 231 ILE N . 231 ILE H 50285 3 104 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.732761 0.009724 . . . 232 SER N . 232 SER H 50285 3 105 . 1 1 121 121 LYS N N 15 . 1 1 121 121 LYS H H 1 0.832431 0.008729 . . . 233 LYS N . 233 LYS H 50285 3 106 . 1 1 122 122 LEU N N 15 . 1 1 122 122 LEU H H 1 0.833318 0.011077 . . . 234 LEU N . 234 LEU H 50285 3 107 . 1 1 123 123 GLY N N 15 . 1 1 123 123 GLY H H 1 0.831805 0.011918 . . . 235 GLY N . 235 GLY H 50285 3 108 . 1 1 124 124 ILE N N 15 . 1 1 124 124 ILE H H 1 0.849187 0.012244 . . . 236 ILE N . 236 ILE H 50285 3 109 . 1 1 125 125 SER N N 15 . 1 1 125 125 SER H H 1 0.850818 0.007136 . . . 237 SER N . 237 SER H 50285 3 110 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.845877 0.013621 . . . 238 GLY N . 238 GLY H 50285 3 111 . 1 1 127 127 ASP N N 15 . 1 1 127 127 ASP H H 1 0.850678 0.006801 . . . 239 ASP N . 239 ASP H 50285 3 112 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.840094 0.010625 . . . 240 ILE N . 240 ILE H 50285 3 113 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.834472 0.011219 . . . 241 ASP N . 241 ASP H 50285 3 114 . 1 1 130 130 LEU N N 15 . 1 1 130 130 LEU H H 1 0.824848 0.010253 . . . 242 LEU N . 242 LEU H 50285 3 115 . 1 1 131 131 THR N N 15 . 1 1 131 131 THR H H 1 0.820530 0.012945 . . . 243 THR N . 243 THR H 50285 3 116 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.848232 0.009540 . . . 244 SER N . 244 SER H 50285 3 117 . 1 1 133 133 ALA N N 15 . 1 1 133 133 ALA H H 1 0.847195 0.009301 . . . 245 ALA N . 245 ALA H 50285 3 118 . 1 1 134 134 SER N N 15 . 1 1 134 134 SER H H 1 0.843918 0.008635 . . . 246 SER N . 246 SER H 50285 3 119 . 1 1 135 135 TYR N N 15 . 1 1 135 135 TYR H H 1 0.850643 0.009158 . . . 247 TYR N . 247 TYR H 50285 3 120 . 1 1 136 136 THR N N 15 . 1 1 136 136 THR H H 1 0.855352 0.009498 . . . 248 THR N . 248 THR H 50285 3 121 . 1 1 137 137 MET N N 15 . 1 1 137 137 MET H H 1 0.797640 0.009547 . . . 249 MET N . 249 MET H 50285 3 122 . 1 1 138 138 ILE N N 15 . 1 1 138 138 ILE H H 1 0.812629 0.009814 . . . 250 ILE N . 250 ILE H 50285 3 stop_ save_