############################## # 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 50283 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name 'M-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' . . . 50283 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 . . 50283 1 3 $software_3 . . 50283 1 4 $software_4 . . 50283 1 5 $software_5 . . 50283 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 0.278235 0.115462 . . . 114 LEU N . 114 LEU H 50283 1 2 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.649568 0.018262 . . . 115 ILE N . 115 ILE H 50283 1 3 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 0.650948 0.021673 . . . 116 VAL N . 116 VAL H 50283 1 4 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.775783 0.027499 . . . 118 TYR N . 118 TYR H 50283 1 5 . 1 1 7 7 ASN N N 15 . 1 1 7 7 ASN H H 1 0.773483 0.028453 . . . 119 ASN N . 119 ASN H 50283 1 6 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.758635 0.026050 . . . 120 LEU N . 120 LEU H 50283 1 7 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.741855 0.023591 . . . 122 LEU N . 122 LEU H 50283 1 8 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.653176 0.145174 . . . 124 GLY N . 124 GLY H 50283 1 9 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.779455 0.021648 . . . 125 GLY N . 125 GLY H 50283 1 10 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.714593 0.023865 . . . 126 VAL N . 126 VAL H 50283 1 11 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.746768 0.025069 . . . 127 VAL N . 127 VAL H 50283 1 12 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.802197 0.029914 . . . 129 ARG N . 129 ARG H 50283 1 13 . 1 1 18 18 MET N N 15 . 1 1 18 18 MET H H 1 0.765210 0.022023 . . . 130 MET N . 130 MET H 50283 1 14 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.794320 0.032165 . . . 131 LEU N . 131 LEU H 50283 1 15 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.756012 0.028252 . . . 132 ILE N . 132 ILE H 50283 1 16 . 1 1 21 21 THR N N 15 . 1 1 21 21 THR H H 1 0.771674 0.025457 . . . 133 THR N . 133 THR H 50283 1 17 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.754446 0.025657 . . . 134 ILE N . 134 ILE H 50283 1 18 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.753434 0.026541 . . . 135 LEU N . 135 LEU H 50283 1 19 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.784499 0.019796 . . . 136 GLY N . 136 GLY H 50283 1 20 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.772810 0.024895 . . . 137 THR N . 137 THR H 50283 1 21 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.800410 0.022800 . . . 138 VAL N . 138 VAL H 50283 1 22 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.742412 0.026064 . . . 139 LYS N . 139 LYS H 50283 1 23 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.757855 0.157165 . . . 141 ASN N . 141 ASN H 50283 1 24 . 1 1 30 30 ALA N N 15 . 1 1 30 30 ALA H H 1 0.686653 0.014371 . . . 142 ALA N . 142 ALA H 50283 1 25 . 1 1 31 31 ASN N N 15 . 1 1 31 31 ASN H H 1 0.747359 0.032021 . . . 143 ASN N . 143 ASN H 50283 1 26 . 1 1 32 32 ARG N N 15 . 1 1 32 32 ARG H H 1 0.750950 0.024699 . . . 144 ARG N . 144 ARG H 50283 1 27 . 1 1 33 33 ILE N N 15 . 1 1 33 33 ILE H H 1 0.776267 0.027245 . . . 145 ILE N . 145 ILE H 50283 1 28 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.776371 0.021896 . . . 146 ALA N . 146 ALA H 50283 1 29 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.768384 0.029559 . . . 147 LEU N . 147 LEU H 50283 1 30 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.744543 0.024668 . . . 148 ASP N . 148 ASP H 50283 1 31 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.758617 0.028195 . . . 149 PHE N . 149 PHE H 50283 1 32 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.766501 0.026694 . . . 150 GLN N . 150 GLN H 50283 1 33 . 1 1 39 39 ARG N N 15 . 1 1 39 39 ARG H H 1 0.754221 0.027835 . . . 151 ARG N . 151 ARG H 50283 1 34 . 1 1 42 42 ASP N N 15 . 1 1 42 42 ASP H H 1 0.764673 0.021840 . . . 154 ASP N . 154 ASP H 50283 1 35 . 1 1 43 43 VAL N N 15 . 1 1 43 43 VAL H H 1 0.793162 0.030907 . . . 155 VAL N . 155 VAL H 50283 1 36 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 0.739587 0.035509 . . . 156 ALA N . 156 ALA H 50283 1 37 . 1 1 45 45 PHE N N 15 . 1 1 45 45 PHE H H 1 0.783042 0.024335 . . . 157 PHE N . 157 PHE H 50283 1 38 . 1 1 46 46 HIS N N 15 . 1 1 46 46 HIS H H 1 0.796746 0.036876 . . . 158 HIS N . 158 HIS H 50283 1 39 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.746944 0.029121 . . . 159 PHE N . 159 PHE H 50283 1 40 . 1 1 48 48 ASN N N 15 . 1 1 48 48 ASN H H 1 0.821633 0.029547 . . . 160 ASN N . 160 ASN H 50283 1 41 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.754881 0.030359 . . . 162 ARG N . 162 ARG H 50283 1 42 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.742945 0.030625 . . . 163 PHE N . 163 PHE H 50283 1 43 . 1 1 52 52 ASN N N 15 . 1 1 52 52 ASN H H 1 0.772912 0.023103 . . . 164 ASN N . 164 ASN H 50283 1 44 . 1 1 53 53 GLU N N 15 . 1 1 53 53 GLU H H 1 0.739507 0.021287 . . . 165 GLU N . 165 GLU H 50283 1 45 . 1 1 55 55 ASN N N 15 . 1 1 55 55 ASN H H 1 0.747622 0.022416 . . . 167 ASN N . 167 ASN H 50283 1 46 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.731728 0.018845 . . . 168 ARG N . 168 ARG H 50283 1 47 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.724580 0.022911 . . . 169 ARG N . 169 ARG H 50283 1 48 . 1 1 58 58 VAL N N 15 . 1 1 58 58 VAL H H 1 0.765993 0.024364 . . . 170 VAL N . 170 VAL H 50283 1 49 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 0.732190 0.025718 . . . 171 ILE N . 171 ILE H 50283 1 50 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.766603 0.027564 . . . 172 VAL N . 172 VAL H 50283 1 51 . 1 1 61 61 CYS N N 15 . 1 1 61 61 CYS H H 1 0.763200 0.031045 . . . 173 CYS N . 173 CYS H 50283 1 52 . 1 1 62 62 ASN N N 15 . 1 1 62 62 ASN H H 1 0.792343 0.022490 . . . 174 ASN N . 174 ASN H 50283 1 53 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.811704 0.027209 . . . 175 THR N . 175 THR H 50283 1 54 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.745765 0.029493 . . . 176 LYS N . 176 LYS H 50283 1 55 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.762747 0.023639 . . . 177 LEU N . 177 LEU H 50283 1 56 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.732755 0.021131 . . . 178 ASP N . 178 ASP H 50283 1 57 . 1 1 67 67 ASN N N 15 . 1 1 67 67 ASN H H 1 0.803593 0.023235 . . . 179 ASN N . 179 ASN H 50283 1 58 . 1 1 68 68 ASN N N 15 . 1 1 68 68 ASN H H 1 0.763662 0.018737 . . . 180 ASN N . 180 ASN H 50283 1 59 . 1 1 69 69 TRP N N 15 . 1 1 69 69 TRP H H 1 0.778350 0.026407 . . . 181 TRP N . 181 TRP H 50283 1 60 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.767094 0.026496 . . . 182 GLY N . 182 GLY H 50283 1 61 . 1 1 71 71 ARG N N 15 . 1 1 71 71 ARG H H 1 0.792797 0.027676 . . . 183 ARG N . 183 ARG H 50283 1 62 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.761498 0.021539 . . . 184 GLU N . 184 GLU H 50283 1 63 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.771791 0.027502 . . . 185 GLU N . 185 GLU H 50283 1 64 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.777201 0.050626 . . . 186 ARG N . 186 ARG H 50283 1 65 . 1 1 75 75 GLN N N 15 . 1 1 75 75 GLN H H 1 0.762796 0.026578 . . . 187 GLN N . 187 GLN H 50283 1 66 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.753513 0.022736 . . . 189 VAL N . 189 VAL H 50283 1 67 . 1 1 78 78 PHE N N 15 . 1 1 78 78 PHE H H 1 0.842756 0.033967 . . . 190 PHE N . 190 PHE H 50283 1 68 . 1 1 80 80 PHE N N 15 . 1 1 80 80 PHE H H 1 0.742073 0.019314 . . . 192 PHE N . 192 PHE H 50283 1 69 . 1 1 81 81 GLU N N 15 . 1 1 81 81 GLU H H 1 0.834300 0.072313 . . . 193 GLU N . 193 GLU H 50283 1 70 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.736364 0.033608 . . . 194 SER N . 194 SER H 50283 1 71 . 1 1 83 83 GLY N N 15 . 1 1 83 83 GLY H H 1 0.759130 0.027328 . . . 195 GLY N . 195 GLY H 50283 1 72 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.761019 0.022347 . . . 196 LYS N . 196 LYS H 50283 1 73 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.774163 0.023114 . . . 198 PHE N . 198 PHE H 50283 1 74 . 1 1 87 87 LYS N N 15 . 1 1 87 87 LYS H H 1 0.780179 0.026781 . . . 199 LYS N . 199 LYS H 50283 1 75 . 1 1 88 88 ILE N N 15 . 1 1 88 88 ILE H H 1 0.797405 0.025959 . . . 200 ILE N . 200 ILE H 50283 1 76 . 1 1 89 89 GLN N N 15 . 1 1 89 89 GLN H H 1 0.765682 0.013371 . . . 201 GLN N . 201 GLN H 50283 1 77 . 1 1 90 90 VAL N N 15 . 1 1 90 90 VAL H H 1 0.772061 0.027198 . . . 202 VAL N . 202 VAL H 50283 1 78 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 0.772294 0.029644 . . . 203 LEU N . 203 LEU H 50283 1 79 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.785037 0.029426 . . . 204 VAL N . 204 VAL H 50283 1 80 . 1 1 93 93 GLU N N 15 . 1 1 93 93 GLU H H 1 0.780381 0.025367 . . . 205 GLU N . 205 GLU H 50283 1 81 . 1 1 95 95 ASP N N 15 . 1 1 95 95 ASP H H 1 0.761852 0.037297 . . . 207 ASP N . 207 ASP H 50283 1 82 . 1 1 96 96 HIS N N 15 . 1 1 96 96 HIS H H 1 0.781058 0.022771 . . . 208 HIS N . 208 HIS H 50283 1 83 . 1 1 97 97 PHE N N 15 . 1 1 97 97 PHE H H 1 0.767316 0.030523 . . . 209 PHE N . 209 PHE H 50283 1 84 . 1 1 98 98 LYS N N 15 . 1 1 98 98 LYS H H 1 0.773764 0.027171 . . . 210 LYS N . 210 LYS H 50283 1 85 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 0.766501 0.021351 . . . 211 VAL N . 211 VAL H 50283 1 86 . 1 1 100 100 ALA N N 15 . 1 1 100 100 ALA H H 1 0.773729 0.025619 . . . 212 ALA N . 212 ALA H 50283 1 87 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.734986 0.024855 . . . 213 VAL N . 213 VAL H 50283 1 88 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.747978 0.023802 . . . 214 ASN N . 214 ASN H 50283 1 89 . 1 1 103 103 ASP N N 15 . 1 1 103 103 ASP H H 1 0.801932 0.025056 . . . 215 ASP N . 215 ASP H 50283 1 90 . 1 1 104 104 ALA N N 15 . 1 1 104 104 ALA H H 1 0.760787 0.017851 . . . 216 ALA N . 216 ALA H 50283 1 91 . 1 1 106 106 LEU N N 15 . 1 1 106 106 LEU H H 1 0.785736 0.018119 . . . 218 LEU N . 218 LEU H 50283 1 92 . 1 1 107 107 LEU N N 15 . 1 1 107 107 LEU H H 1 0.780899 0.030295 . . . 219 LEU N . 219 LEU H 50283 1 93 . 1 1 108 108 GLN N N 15 . 1 1 108 108 GLN H H 1 0.758127 0.026933 . . . 220 GLN N . 220 GLN H 50283 1 94 . 1 1 109 109 TYR N N 15 . 1 1 109 109 TYR H H 1 0.756340 0.023763 . . . 221 TYR N . 221 TYR H 50283 1 95 . 1 1 110 110 ASN N N 15 . 1 1 110 110 ASN H H 1 0.789756 0.021549 . . . 222 ASN N . 222 ASN H 50283 1 96 . 1 1 111 111 HIS N N 15 . 1 1 111 111 HIS H H 1 0.780527 0.022080 . . . 223 HIS N . 223 HIS H 50283 1 97 . 1 1 112 112 ARG N N 15 . 1 1 112 112 ARG H H 1 0.780221 0.042405 . . . 224 ARG N . 224 ARG H 50283 1 98 . 1 1 113 113 VAL N N 15 . 1 1 113 113 VAL H H 1 0.762410 0.033790 . . . 225 VAL N . 225 VAL H 50283 1 99 . 1 1 115 115 LYS N N 15 . 1 1 115 115 LYS H H 1 0.721827 0.045940 . . . 227 LYS N . 227 LYS H 50283 1 100 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.702600 0.022083 . . . 228 LEU N . 228 LEU H 50283 1 101 . 1 1 117 117 ASN N N 15 . 1 1 117 117 ASN H H 1 0.765042 0.018682 . . . 229 ASN N . 229 ASN H 50283 1 102 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.784354 0.024438 . . . 230 GLU N . 230 GLU H 50283 1 103 . 1 1 119 119 ILE N N 15 . 1 1 119 119 ILE H H 1 0.742875 0.022586 . . . 231 ILE N . 231 ILE H 50283 1 104 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.659953 0.023156 . . . 232 SER N . 232 SER H 50283 1 105 . 1 1 121 121 LYS N N 15 . 1 1 121 121 LYS H H 1 0.742144 0.019474 . . . 233 LYS N . 233 LYS H 50283 1 106 . 1 1 122 122 LEU N N 15 . 1 1 122 122 LEU H H 1 0.739834 0.025686 . . . 234 LEU N . 234 LEU H 50283 1 107 . 1 1 123 123 GLY N N 15 . 1 1 123 123 GLY H H 1 0.777656 0.028544 . . . 235 GLY N . 235 GLY H 50283 1 108 . 1 1 124 124 ILE N N 15 . 1 1 124 124 ILE H H 1 0.796205 0.031537 . . . 236 ILE N . 236 ILE H 50283 1 109 . 1 1 125 125 SER N N 15 . 1 1 125 125 SER H H 1 0.765323 0.016888 . . . 237 SER N . 237 SER H 50283 1 110 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.779100 0.028936 . . . 238 GLY N . 238 GLY H 50283 1 111 . 1 1 127 127 ASP N N 15 . 1 1 127 127 ASP H H 1 0.801213 0.026368 . . . 239 ASP N . 239 ASP H 50283 1 112 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.768683 0.025168 . . . 240 ILE N . 240 ILE H 50283 1 113 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.775508 0.029903 . . . 241 ASP N . 241 ASP H 50283 1 114 . 1 1 130 130 LEU N N 15 . 1 1 130 130 LEU H H 1 0.737983 0.025318 . . . 242 LEU N . 242 LEU H 50283 1 115 . 1 1 131 131 THR N N 15 . 1 1 131 131 THR H H 1 0.754400 0.037262 . . . 243 THR N . 243 THR H 50283 1 116 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.772816 0.021833 . . . 244 SER N . 244 SER H 50283 1 117 . 1 1 133 133 ALA N N 15 . 1 1 133 133 ALA H H 1 0.800289 0.022940 . . . 245 ALA N . 245 ALA H 50283 1 118 . 1 1 134 134 SER N N 15 . 1 1 134 134 SER H H 1 0.775636 0.020615 . . . 246 SER N . 246 SER H 50283 1 119 . 1 1 135 135 TYR N N 15 . 1 1 135 135 TYR H H 1 0.760044 0.020205 . . . 247 TYR N . 247 TYR H 50283 1 120 . 1 1 136 136 THR N N 15 . 1 1 136 136 THR H H 1 0.765377 0.023028 . . . 248 THR N . 248 THR H 50283 1 121 . 1 1 137 137 MET N N 15 . 1 1 137 137 MET H H 1 0.717221 0.021332 . . . 249 MET N . 249 MET H 50283 1 122 . 1 1 138 138 ILE N N 15 . 1 1 138 138 ILE H H 1 0.731790 0.024227 . . . 250 ILE N . 250 ILE H 50283 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 50283 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name 'M-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' . . . 50283 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 . . 50283 2 3 $software_3 . . 50283 2 4 $software_4 . . 50283 2 5 $software_5 . . 50283 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 0.305650 0.159987 . . . 114 LEU N . 114 LEU H 50283 2 2 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.666885 0.013699 . . . 115 ILE N . 115 ILE H 50283 2 3 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 0.678138 0.017528 . . . 116 VAL N . 116 VAL H 50283 2 4 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.806908 0.023324 . . . 118 TYR N . 118 TYR H 50283 2 5 . 1 1 7 7 ASN N N 15 . 1 1 7 7 ASN H H 1 0.780260 0.025208 . . . 119 ASN N . 119 ASN H 50283 2 6 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.784416 0.019456 . . . 120 LEU N . 120 LEU H 50283 2 7 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.777434 0.019668 . . . 122 LEU N . 122 LEU H 50283 2 8 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.751529 0.390056 . . . 124 GLY N . 124 GLY H 50283 2 9 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.785726 0.016041 . . . 125 GLY N . 125 GLY H 50283 2 10 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.727217 0.017168 . . . 126 VAL N . 126 VAL H 50283 2 11 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.790036 0.020106 . . . 127 VAL N . 127 VAL H 50283 2 12 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.800242 0.022086 . . . 129 ARG N . 129 ARG H 50283 2 13 . 1 1 18 18 MET N N 15 . 1 1 18 18 MET H H 1 0.796371 0.017580 . . . 130 MET N . 130 MET H 50283 2 14 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.794033 0.022263 . . . 131 LEU N . 131 LEU H 50283 2 15 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.812570 0.023882 . . . 132 ILE N . 132 ILE H 50283 2 16 . 1 1 21 21 THR N N 15 . 1 1 21 21 THR H H 1 0.813720 0.018819 . . . 133 THR N . 133 THR H 50283 2 17 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.795467 0.020627 . . . 134 ILE N . 134 ILE H 50283 2 18 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.784223 0.020406 . . . 135 LEU N . 135 LEU H 50283 2 19 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.795545 0.014960 . . . 136 GLY N . 136 GLY H 50283 2 20 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.805936 0.018804 . . . 137 THR N . 137 THR H 50283 2 21 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.764597 0.017774 . . . 138 VAL N . 138 VAL H 50283 2 22 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.794233 0.021474 . . . 139 LYS N . 139 LYS H 50283 2 23 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.763488 0.184079 . . . 141 ASN N . 141 ASN H 50283 2 24 . 1 1 30 30 ALA N N 15 . 1 1 30 30 ALA H H 1 0.682819 0.010593 . . . 142 ALA N . 142 ALA H 50283 2 25 . 1 1 31 31 ASN N N 15 . 1 1 31 31 ASN H H 1 0.797125 0.027643 . . . 143 ASN N . 143 ASN H 50283 2 26 . 1 1 32 32 ARG N N 15 . 1 1 32 32 ARG H H 1 0.797342 0.019968 . . . 144 ARG N . 144 ARG H 50283 2 27 . 1 1 33 33 ILE N N 15 . 1 1 33 33 ILE H H 1 0.796890 0.021003 . . . 145 ILE N . 145 ILE H 50283 2 28 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.794217 0.017515 . . . 146 ALA N . 146 ALA H 50283 2 29 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.789615 0.026897 . . . 147 LEU N . 147 LEU H 50283 2 30 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.806823 0.019397 . . . 148 ASP N . 148 ASP H 50283 2 31 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.894624 0.138006 . . . 149 PHE N . 149 PHE H 50283 2 32 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.797192 0.020872 . . . 150 GLN N . 150 GLN H 50283 2 33 . 1 1 39 39 ARG N N 15 . 1 1 39 39 ARG H H 1 0.810591 0.023339 . . . 151 ARG N . 151 ARG H 50283 2 34 . 1 1 42 42 ASP N N 15 . 1 1 42 42 ASP H H 1 0.787548 0.016464 . . . 154 ASP N . 154 ASP H 50283 2 35 . 1 1 43 43 VAL N N 15 . 1 1 43 43 VAL H H 1 0.778239 0.022230 . . . 155 VAL N . 155 VAL H 50283 2 36 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 0.790099 0.017701 . . . 156 ALA N . 156 ALA H 50283 2 37 . 1 1 45 45 PHE N N 15 . 1 1 45 45 PHE H H 1 0.804373 0.019154 . . . 157 PHE N . 157 PHE H 50283 2 38 . 1 1 46 46 HIS N N 15 . 1 1 46 46 HIS H H 1 0.818719 0.028719 . . . 158 HIS N . 158 HIS H 50283 2 39 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.797563 0.023688 . . . 159 PHE N . 159 PHE H 50283 2 40 . 1 1 48 48 ASN N N 15 . 1 1 48 48 ASN H H 1 0.767855 0.022285 . . . 160 ASN N . 160 ASN H 50283 2 41 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.816173 0.030659 . . . 162 ARG N . 162 ARG H 50283 2 42 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.772738 0.025973 . . . 163 PHE N . 163 PHE H 50283 2 43 . 1 1 52 52 ASN N N 15 . 1 1 52 52 ASN H H 1 0.760964 0.019574 . . . 164 ASN N . 164 ASN H 50283 2 44 . 1 1 53 53 GLU N N 15 . 1 1 53 53 GLU H H 1 0.740087 0.015670 . . . 165 GLU N . 165 GLU H 50283 2 45 . 1 1 55 55 ASN N N 15 . 1 1 55 55 ASN H H 1 0.774026 0.018572 . . . 167 ASN N . 167 ASN H 50283 2 46 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.740696 0.015047 . . . 168 ARG N . 168 ARG H 50283 2 47 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.736153 0.017710 . . . 169 ARG N . 169 ARG H 50283 2 48 . 1 1 58 58 VAL N N 15 . 1 1 58 58 VAL H H 1 0.785838 0.017587 . . . 170 VAL N . 170 VAL H 50283 2 49 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 0.788620 0.021471 . . . 171 ILE N . 171 ILE H 50283 2 50 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.777154 0.021093 . . . 172 VAL N . 172 VAL H 50283 2 51 . 1 1 61 61 CYS N N 15 . 1 1 61 61 CYS H H 1 0.802900 0.025172 . . . 173 CYS N . 173 CYS H 50283 2 52 . 1 1 62 62 ASN N N 15 . 1 1 62 62 ASN H H 1 0.818753 0.017458 . . . 174 ASN N . 174 ASN H 50283 2 53 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.808777 0.022745 . . . 175 THR N . 175 THR H 50283 2 54 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.802832 0.021943 . . . 176 LYS N . 176 LYS H 50283 2 55 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.795370 0.020085 . . . 177 LEU N . 177 LEU H 50283 2 56 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.801508 0.017699 . . . 178 ASP N . 178 ASP H 50283 2 57 . 1 1 67 67 ASN N N 15 . 1 1 67 67 ASN H H 1 0.785903 0.017416 . . . 179 ASN N . 179 ASN H 50283 2 58 . 1 1 68 68 ASN N N 15 . 1 1 68 68 ASN H H 1 0.767972 0.009219 . . . 180 ASN N . 180 ASN H 50283 2 59 . 1 1 69 69 TRP N N 15 . 1 1 69 69 TRP H H 1 0.809074 0.024703 . . . 181 TRP N . 181 TRP H 50283 2 60 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.797668 0.019870 . . . 182 GLY N . 182 GLY H 50283 2 61 . 1 1 71 71 ARG N N 15 . 1 1 71 71 ARG H H 1 0.843071 0.027549 . . . 183 ARG N . 183 ARG H 50283 2 62 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.777191 0.016438 . . . 184 GLU N . 184 GLU H 50283 2 63 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.800777 0.020581 . . . 185 GLU N . 185 GLU H 50283 2 64 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.757342 0.071227 . . . 186 ARG N . 186 ARG H 50283 2 65 . 1 1 75 75 GLN N N 15 . 1 1 75 75 GLN H H 1 0.799777 0.021099 . . . 187 GLN N . 187 GLN H 50283 2 66 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.783543 0.019748 . . . 189 VAL N . 189 VAL H 50283 2 67 . 1 1 78 78 PHE N N 15 . 1 1 78 78 PHE H H 1 0.794904 0.033846 . . . 190 PHE N . 190 PHE H 50283 2 68 . 1 1 80 80 PHE N N 15 . 1 1 80 80 PHE H H 1 0.751265 0.014498 . . . 192 PHE N . 192 PHE H 50283 2 69 . 1 1 81 81 GLU N N 15 . 1 1 81 81 GLU H H 1 0.799697 0.015478 . . . 193 GLU N . 193 GLU H 50283 2 70 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.750119 0.039171 . . . 194 SER N . 194 SER H 50283 2 71 . 1 1 83 83 GLY N N 15 . 1 1 83 83 GLY H H 1 0.804190 0.021889 . . . 195 GLY N . 195 GLY H 50283 2 72 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.703645 0.015203 . . . 196 LYS N . 196 LYS H 50283 2 73 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.783583 0.016473 . . . 198 PHE N . 198 PHE H 50283 2 74 . 1 1 87 87 LYS N N 15 . 1 1 87 87 LYS H H 1 0.783067 0.021749 . . . 199 LYS N . 199 LYS H 50283 2 75 . 1 1 88 88 ILE N N 15 . 1 1 88 88 ILE H H 1 0.823587 0.021453 . . . 200 ILE N . 200 ILE H 50283 2 76 . 1 1 89 89 GLN N N 15 . 1 1 89 89 GLN H H 1 0.812999 0.012695 . . . 201 GLN N . 201 GLN H 50283 2 77 . 1 1 90 90 VAL N N 15 . 1 1 90 90 VAL H H 1 0.794541 0.022727 . . . 202 VAL N . 202 VAL H 50283 2 78 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 0.799231 0.025023 . . . 203 LEU N . 203 LEU H 50283 2 79 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.801569 0.022974 . . . 204 VAL N . 204 VAL H 50283 2 80 . 1 1 93 93 GLU N N 15 . 1 1 93 93 GLU H H 1 0.836482 0.022114 . . . 205 GLU N . 205 GLU H 50283 2 81 . 1 1 95 95 ASP N N 15 . 1 1 95 95 ASP H H 1 0.813325 0.047295 . . . 207 ASP N . 207 ASP H 50283 2 82 . 1 1 96 96 HIS N N 15 . 1 1 96 96 HIS H H 1 0.804117 0.022157 . . . 208 HIS N . 208 HIS H 50283 2 83 . 1 1 97 97 PHE N N 15 . 1 1 97 97 PHE H H 1 0.795996 0.023432 . . . 209 PHE N . 209 PHE H 50283 2 84 . 1 1 98 98 LYS N N 15 . 1 1 98 98 LYS H H 1 0.794016 0.026340 . . . 210 LYS N . 210 LYS H 50283 2 85 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 0.823199 0.052486 . . . 211 VAL N . 211 VAL H 50283 2 86 . 1 1 100 100 ALA N N 15 . 1 1 100 100 ALA H H 1 0.825634 0.019835 . . . 212 ALA N . 212 ALA H 50283 2 87 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.788363 0.020199 . . . 213 VAL N . 213 VAL H 50283 2 88 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.809685 0.021172 . . . 214 ASN N . 214 ASN H 50283 2 89 . 1 1 103 103 ASP N N 15 . 1 1 103 103 ASP H H 1 0.817418 0.019465 . . . 215 ASP N . 215 ASP H 50283 2 90 . 1 1 104 104 ALA N N 15 . 1 1 104 104 ALA H H 1 0.782989 0.013938 . . . 216 ALA N . 216 ALA H 50283 2 91 . 1 1 106 106 LEU N N 15 . 1 1 106 106 LEU H H 1 0.785147 0.017219 . . . 218 LEU N . 218 LEU H 50283 2 92 . 1 1 107 107 LEU N N 15 . 1 1 107 107 LEU H H 1 0.843206 0.026868 . . . 219 LEU N . 219 LEU H 50283 2 93 . 1 1 108 108 GLN N N 15 . 1 1 108 108 GLN H H 1 0.814586 0.021525 . . . 220 GLN N . 220 GLN H 50283 2 94 . 1 1 109 109 TYR N N 15 . 1 1 109 109 TYR H H 1 0.807813 0.022957 . . . 221 TYR N . 221 TYR H 50283 2 95 . 1 1 110 110 ASN N N 15 . 1 1 110 110 ASN H H 1 0.811920 0.015521 . . . 222 ASN N . 222 ASN H 50283 2 96 . 1 1 111 111 HIS N N 15 . 1 1 111 111 HIS H H 1 0.783593 0.016503 . . . 223 HIS N . 223 HIS H 50283 2 97 . 1 1 112 112 ARG N N 15 . 1 1 112 112 ARG H H 1 0.817939 0.035548 . . . 224 ARG N . 224 ARG H 50283 2 98 . 1 1 113 113 VAL N N 15 . 1 1 113 113 VAL H H 1 0.740176 0.000530 . . . 225 VAL N . 225 VAL H 50283 2 99 . 1 1 115 115 LYS N N 15 . 1 1 115 115 LYS H H 1 0.720362 0.060525 . . . 227 LYS N . 227 LYS H 50283 2 100 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.739767 0.018167 . . . 228 LEU N . 228 LEU H 50283 2 101 . 1 1 117 117 ASN N N 15 . 1 1 117 117 ASN H H 1 0.789782 0.015478 . . . 229 ASN N . 229 ASN H 50283 2 102 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.849646 0.020536 . . . 230 GLU N . 230 GLU H 50283 2 103 . 1 1 119 119 ILE N N 15 . 1 1 119 119 ILE H H 1 0.811357 0.019781 . . . 231 ILE N . 231 ILE H 50283 2 104 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.678548 0.017495 . . . 232 SER N . 232 SER H 50283 2 105 . 1 1 121 121 LYS N N 15 . 1 1 121 121 LYS H H 1 0.815601 0.015974 . . . 233 LYS N . 233 LYS H 50283 2 106 . 1 1 122 122 LEU N N 15 . 1 1 122 122 LEU H H 1 0.775681 0.022302 . . . 234 LEU N . 234 LEU H 50283 2 107 . 1 1 123 123 GLY N N 15 . 1 1 123 123 GLY H H 1 0.774284 0.021693 . . . 235 GLY N . 235 GLY H 50283 2 108 . 1 1 124 124 ILE N N 15 . 1 1 124 124 ILE H H 1 0.809744 0.025093 . . . 236 ILE N . 236 ILE H 50283 2 109 . 1 1 125 125 SER N N 15 . 1 1 125 125 SER H H 1 0.794123 0.013928 . . . 237 SER N . 237 SER H 50283 2 110 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.787230 0.022704 . . . 238 GLY N . 238 GLY H 50283 2 111 . 1 1 127 127 ASP N N 15 . 1 1 127 127 ASP H H 1 0.781441 0.019880 . . . 239 ASP N . 239 ASP H 50283 2 112 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.809564 0.021252 . . . 240 ILE N . 240 ILE H 50283 2 113 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.775422 0.022441 . . . 241 ASP N . 241 ASP H 50283 2 114 . 1 1 130 130 LEU N N 15 . 1 1 130 130 LEU H H 1 0.769024 0.021830 . . . 242 LEU N . 242 LEU H 50283 2 115 . 1 1 131 131 THR N N 15 . 1 1 131 131 THR H H 1 0.777623 0.027119 . . . 243 THR N . 243 THR H 50283 2 116 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.792272 0.017789 . . . 244 SER N . 244 SER H 50283 2 117 . 1 1 133 133 ALA N N 15 . 1 1 133 133 ALA H H 1 0.790564 0.018238 . . . 245 ALA N . 245 ALA H 50283 2 118 . 1 1 134 134 SER N N 15 . 1 1 134 134 SER H H 1 0.810656 0.015708 . . . 246 SER N . 246 SER H 50283 2 119 . 1 1 135 135 TYR N N 15 . 1 1 135 135 TYR H H 1 0.807212 0.016206 . . . 247 TYR N . 247 TYR H 50283 2 120 . 1 1 136 136 THR N N 15 . 1 1 136 136 THR H H 1 0.794220 0.016575 . . . 248 THR N . 248 THR H 50283 2 121 . 1 1 137 137 MET N N 15 . 1 1 137 137 MET H H 1 0.741177 0.018361 . . . 249 MET N . 249 MET H 50283 2 122 . 1 1 138 138 ILE N N 15 . 1 1 138 138 ILE H H 1 0.782030 0.019638 . . . 250 ILE N . 250 ILE H 50283 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 50283 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Name 'M-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' . . . 50283 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 . . 50283 3 3 $software_3 . . 50283 3 4 $software_4 . . 50283 3 5 $software_5 . . 50283 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 0.456006 0.038271 . . . 114 LEU N . 114 LEU H 50283 3 2 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.706855 0.006088 . . . 115 ILE N . 115 ILE H 50283 3 3 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 0.722726 0.007435 . . . 116 VAL N . 116 VAL H 50283 3 4 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.840101 0.008798 . . . 118 TYR N . 118 TYR H 50283 3 5 . 1 1 7 7 ASN N N 15 . 1 1 7 7 ASN H H 1 0.839421 0.011274 . . . 119 ASN N . 119 ASN H 50283 3 6 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.833870 0.008368 . . . 120 LEU N . 120 LEU H 50283 3 7 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.831063 0.008077 . . . 122 LEU N . 122 LEU H 50283 3 8 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.842474 0.007495 . . . 125 GLY N . 125 GLY H 50283 3 9 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.802334 0.007796 . . . 126 VAL N . 126 VAL H 50283 3 10 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.812767 0.008340 . . . 127 VAL N . 127 VAL H 50283 3 11 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.842794 0.009319 . . . 129 ARG N . 129 ARG H 50283 3 12 . 1 1 18 18 MET N N 15 . 1 1 18 18 MET H H 1 0.835777 0.007533 . . . 130 MET N . 130 MET H 50283 3 13 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.848024 0.009682 . . . 131 LEU N . 131 LEU H 50283 3 14 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.848460 0.009357 . . . 132 ILE N . 132 ILE H 50283 3 15 . 1 1 21 21 THR N N 15 . 1 1 21 21 THR H H 1 0.861594 0.007578 . . . 133 THR N . 133 THR H 50283 3 16 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.846631 0.008438 . . . 134 ILE N . 134 ILE H 50283 3 17 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.861781 0.008451 . . . 135 LEU N . 135 LEU H 50283 3 18 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.826284 0.007114 . . . 136 GLY N . 136 GLY H 50283 3 19 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.836189 0.008052 . . . 137 THR N . 137 THR H 50283 3 20 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.862256 0.008095 . . . 138 VAL N . 138 VAL H 50283 3 21 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.854336 0.009137 . . . 139 LYS N . 139 LYS H 50283 3 22 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.762770 0.055824 . . . 141 ASN N . 141 ASN H 50283 3 23 . 1 1 30 30 ALA N N 15 . 1 1 30 30 ALA H H 1 0.739673 0.005515 . . . 142 ALA N . 142 ALA H 50283 3 24 . 1 1 31 31 ASN N N 15 . 1 1 31 31 ASN H H 1 0.829000 0.010603 . . . 143 ASN N . 143 ASN H 50283 3 25 . 1 1 32 32 ARG N N 15 . 1 1 32 32 ARG H H 1 0.853202 0.008637 . . . 144 ARG N . 144 ARG H 50283 3 26 . 1 1 33 33 ILE N N 15 . 1 1 33 33 ILE H H 1 0.849498 0.008630 . . . 145 ILE N . 145 ILE H 50283 3 27 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.861780 0.007699 . . . 146 ALA N . 146 ALA H 50283 3 28 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.839418 0.009827 . . . 147 LEU N . 147 LEU H 50283 3 29 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.842378 0.008133 . . . 148 ASP N . 148 ASP H 50283 3 30 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.835098 0.007803 . . . 149 PHE N . 149 PHE H 50283 3 31 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.839791 0.008432 . . . 150 GLN N . 150 GLN H 50283 3 32 . 1 1 39 39 ARG N N 15 . 1 1 39 39 ARG H H 1 0.835906 0.008807 . . . 151 ARG N . 151 ARG H 50283 3 33 . 1 1 42 42 ASP N N 15 . 1 1 42 42 ASP H H 1 0.842327 0.007032 . . . 154 ASP N . 154 ASP H 50283 3 34 . 1 1 43 43 VAL N N 15 . 1 1 43 43 VAL H H 1 0.842628 0.009438 . . . 155 VAL N . 155 VAL H 50283 3 35 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 0.819443 0.006299 . . . 156 ALA N . 156 ALA H 50283 3 36 . 1 1 45 45 PHE N N 15 . 1 1 45 45 PHE H H 1 0.853078 0.008053 . . . 157 PHE N . 157 PHE H 50283 3 37 . 1 1 46 46 HIS N N 15 . 1 1 46 46 HIS H H 1 0.845235 0.011853 . . . 158 HIS N . 158 HIS H 50283 3 38 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.855319 0.009159 . . . 159 PHE N . 159 PHE H 50283 3 39 . 1 1 48 48 ASN N N 15 . 1 1 48 48 ASN H H 1 0.861723 0.009371 . . . 160 ASN N . 160 ASN H 50283 3 40 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.839481 0.009207 . . . 162 ARG N . 162 ARG H 50283 3 41 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.852043 0.010768 . . . 163 PHE N . 163 PHE H 50283 3 42 . 1 1 52 52 ASN N N 15 . 1 1 52 52 ASN H H 1 0.815726 0.008665 . . . 164 ASN N . 164 ASN H 50283 3 43 . 1 1 53 53 GLU N N 15 . 1 1 53 53 GLU H H 1 0.802512 0.006952 . . . 165 GLU N . 165 GLU H 50283 3 44 . 1 1 55 55 ASN N N 15 . 1 1 55 55 ASN H H 1 0.789756 0.008154 . . . 167 ASN N . 167 ASN H 50283 3 45 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.805483 0.006335 . . . 168 ARG N . 168 ARG H 50283 3 46 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.792654 0.007481 . . . 169 ARG N . 169 ARG H 50283 3 47 . 1 1 58 58 VAL N N 15 . 1 1 58 58 VAL H H 1 0.836868 0.007796 . . . 170 VAL N . 170 VAL H 50283 3 48 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 0.821819 0.008205 . . . 171 ILE N . 171 ILE H 50283 3 49 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.859340 0.009026 . . . 172 VAL N . 172 VAL H 50283 3 50 . 1 1 61 61 CYS N N 15 . 1 1 61 61 CYS H H 1 0.867695 0.010954 . . . 173 CYS N . 173 CYS H 50283 3 51 . 1 1 62 62 ASN N N 15 . 1 1 62 62 ASN H H 1 0.871583 0.007848 . . . 174 ASN N . 174 ASN H 50283 3 52 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.842661 0.008993 . . . 175 THR N . 175 THR H 50283 3 53 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.870375 0.009921 . . . 176 LYS N . 176 LYS H 50283 3 54 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.834496 0.007959 . . . 177 LEU N . 177 LEU H 50283 3 55 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.842870 0.007644 . . . 178 ASP N . 178 ASP H 50283 3 56 . 1 1 67 67 ASN N N 15 . 1 1 67 67 ASN H H 1 0.836590 0.008480 . . . 179 ASN N . 179 ASN H 50283 3 57 . 1 1 68 68 ASN N N 15 . 1 1 68 68 ASN H H 1 0.820704 0.006068 . . . 180 ASN N . 180 ASN H 50283 3 58 . 1 1 69 69 TRP N N 15 . 1 1 69 69 TRP H H 1 0.853909 0.010566 . . . 181 TRP N . 181 TRP H 50283 3 59 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.849223 0.008248 . . . 182 GLY N . 182 GLY H 50283 3 60 . 1 1 71 71 ARG N N 15 . 1 1 71 71 ARG H H 1 0.861269 0.010794 . . . 183 ARG N . 183 ARG H 50283 3 61 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.836571 0.007373 . . . 184 GLU N . 184 GLU H 50283 3 62 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.835691 0.008531 . . . 185 GLU N . 185 GLU H 50283 3 63 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.817087 0.030307 . . . 186 ARG N . 186 ARG H 50283 3 64 . 1 1 75 75 GLN N N 15 . 1 1 75 75 GLN H H 1 0.834970 0.008406 . . . 187 GLN N . 187 GLN H 50283 3 65 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.814092 0.008607 . . . 189 VAL N . 189 VAL H 50283 3 66 . 1 1 78 78 PHE N N 15 . 1 1 78 78 PHE H H 1 0.812020 0.012080 . . . 190 PHE N . 190 PHE H 50283 3 67 . 1 1 80 80 PHE N N 15 . 1 1 80 80 PHE H H 1 0.811134 0.009362 . . . 192 PHE N . 192 PHE H 50283 3 68 . 1 1 81 81 GLU N N 15 . 1 1 81 81 GLU H H 1 0.861497 0.007070 . . . 193 GLU N . 193 GLU H 50283 3 69 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.783711 0.017058 . . . 194 SER N . 194 SER H 50283 3 70 . 1 1 83 83 GLY N N 15 . 1 1 83 83 GLY H H 1 0.783208 0.008436 . . . 195 GLY N . 195 GLY H 50283 3 71 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.836328 0.007455 . . . 196 LYS N . 196 LYS H 50283 3 72 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.832730 0.007342 . . . 198 PHE N . 198 PHE H 50283 3 73 . 1 1 87 87 LYS N N 15 . 1 1 87 87 LYS H H 1 0.837324 0.008583 . . . 199 LYS N . 199 LYS H 50283 3 74 . 1 1 88 88 ILE N N 15 . 1 1 88 88 ILE H H 1 0.857280 0.008621 . . . 200 ILE N . 200 ILE H 50283 3 75 . 1 1 89 89 GLN N N 15 . 1 1 89 89 GLN H H 1 0.851706 0.004554 . . . 201 GLN N . 201 GLN H 50283 3 76 . 1 1 90 90 VAL N N 15 . 1 1 90 90 VAL H H 1 0.837326 0.009133 . . . 202 VAL N . 202 VAL H 50283 3 77 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 0.855980 0.012744 . . . 203 LEU N . 203 LEU H 50283 3 78 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.854889 0.011222 . . . 204 VAL N . 204 VAL H 50283 3 79 . 1 1 93 93 GLU N N 15 . 1 1 93 93 GLU H H 1 0.833552 0.009371 . . . 205 GLU N . 205 GLU H 50283 3 80 . 1 1 95 95 ASP N N 15 . 1 1 95 95 ASP H H 1 0.857397 0.025317 . . . 207 ASP N . 207 ASP H 50283 3 81 . 1 1 96 96 HIS N N 15 . 1 1 96 96 HIS H H 1 0.867805 0.013315 . . . 208 HIS N . 208 HIS H 50283 3 82 . 1 1 97 97 PHE N N 15 . 1 1 97 97 PHE H H 1 0.835638 0.010144 . . . 209 PHE N . 209 PHE H 50283 3 83 . 1 1 98 98 LYS N N 15 . 1 1 98 98 LYS H H 1 0.841736 0.011087 . . . 210 LYS N . 210 LYS H 50283 3 84 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 0.842030 0.012110 . . . 211 VAL N . 211 VAL H 50283 3 85 . 1 1 100 100 ALA N N 15 . 1 1 100 100 ALA H H 1 0.854892 0.008446 . . . 212 ALA N . 212 ALA H 50283 3 86 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.835337 0.008441 . . . 213 VAL N . 213 VAL H 50283 3 87 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.848033 0.008610 . . . 214 ASN N . 214 ASN H 50283 3 88 . 1 1 103 103 ASP N N 15 . 1 1 103 103 ASP H H 1 0.852795 0.008989 . . . 215 ASP N . 215 ASP H 50283 3 89 . 1 1 104 104 ALA N N 15 . 1 1 104 104 ALA H H 1 0.834434 0.006297 . . . 216 ALA N . 216 ALA H 50283 3 90 . 1 1 106 106 LEU N N 15 . 1 1 106 106 LEU H H 1 0.885715 0.007544 . . . 218 LEU N . 218 LEU H 50283 3 91 . 1 1 107 107 LEU N N 15 . 1 1 107 107 LEU H H 1 0.857039 0.011456 . . . 219 LEU N . 219 LEU H 50283 3 92 . 1 1 108 108 GLN N N 15 . 1 1 108 108 GLN H H 1 0.851676 0.008932 . . . 220 GLN N . 220 GLN H 50283 3 93 . 1 1 109 109 TYR N N 15 . 1 1 109 109 TYR H H 1 0.818638 0.008598 . . . 221 TYR N . 221 TYR H 50283 3 94 . 1 1 110 110 ASN N N 15 . 1 1 110 110 ASN H H 1 0.854379 0.007858 . . . 222 ASN N . 222 ASN H 50283 3 95 . 1 1 111 111 HIS N N 15 . 1 1 111 111 HIS H H 1 0.866951 0.008002 . . . 223 HIS N . 223 HIS H 50283 3 96 . 1 1 112 112 ARG N N 15 . 1 1 112 112 ARG H H 1 0.829154 0.012319 . . . 224 ARG N . 224 ARG H 50283 3 97 . 1 1 113 113 VAL N N 15 . 1 1 113 113 VAL H H 1 0.795348 0.009539 . . . 225 VAL N . 225 VAL H 50283 3 98 . 1 1 115 115 LYS N N 15 . 1 1 115 115 LYS H H 1 0.859605 0.026416 . . . 227 LYS N . 227 LYS H 50283 3 99 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.805129 0.008039 . . . 228 LEU N . 228 LEU H 50283 3 100 . 1 1 117 117 ASN N N 15 . 1 1 117 117 ASN H H 1 0.842087 0.006895 . . . 229 ASN N . 229 ASN H 50283 3 101 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.840772 0.007872 . . . 230 GLU N . 230 GLU H 50283 3 102 . 1 1 119 119 ILE N N 15 . 1 1 119 119 ILE H H 1 0.846450 0.008346 . . . 231 ILE N . 231 ILE H 50283 3 103 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.726877 0.007501 . . . 232 SER N . 232 SER H 50283 3 104 . 1 1 121 121 LYS N N 15 . 1 1 121 121 LYS H H 1 0.843309 0.006750 . . . 233 LYS N . 233 LYS H 50283 3 105 . 1 1 122 122 LEU N N 15 . 1 1 122 122 LEU H H 1 0.853915 0.008770 . . . 234 LEU N . 234 LEU H 50283 3 106 . 1 1 123 123 GLY N N 15 . 1 1 123 123 GLY H H 1 0.834924 0.009492 . . . 235 GLY N . 235 GLY H 50283 3 107 . 1 1 124 124 ILE N N 15 . 1 1 124 124 ILE H H 1 0.840168 0.009613 . . . 236 ILE N . 236 ILE H 50283 3 108 . 1 1 125 125 SER N N 15 . 1 1 125 125 SER H H 1 0.833527 0.006795 . . . 237 SER N . 237 SER H 50283 3 109 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.844041 0.009961 . . . 238 GLY N . 238 GLY H 50283 3 110 . 1 1 127 127 ASP N N 15 . 1 1 127 127 ASP H H 1 0.842287 0.008636 . . . 239 ASP N . 239 ASP H 50283 3 111 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.843312 0.008554 . . . 240 ILE N . 240 ILE H 50283 3 112 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.854157 0.009159 . . . 241 ASP N . 241 ASP H 50283 3 113 . 1 1 130 130 LEU N N 15 . 1 1 130 130 LEU H H 1 0.820518 0.008578 . . . 242 LEU N . 242 LEU H 50283 3 114 . 1 1 131 131 THR N N 15 . 1 1 131 131 THR H H 1 0.830440 0.011019 . . . 243 THR N . 243 THR H 50283 3 115 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.837834 0.007649 . . . 244 SER N . 244 SER H 50283 3 116 . 1 1 133 133 ALA N N 15 . 1 1 133 133 ALA H H 1 0.842942 0.007587 . . . 245 ALA N . 245 ALA H 50283 3 117 . 1 1 134 134 SER N N 15 . 1 1 134 134 SER H H 1 0.841068 0.006811 . . . 246 SER N . 246 SER H 50283 3 118 . 1 1 135 135 TYR N N 15 . 1 1 135 135 TYR H H 1 0.868700 0.007362 . . . 247 TYR N . 247 TYR H 50283 3 119 . 1 1 136 136 THR N N 15 . 1 1 136 136 THR H H 1 0.842348 0.007286 . . . 248 THR N . 248 THR H 50283 3 120 . 1 1 137 137 MET N N 15 . 1 1 137 137 MET H H 1 0.794543 0.007830 . . . 249 MET N . 249 MET H 50283 3 121 . 1 1 138 138 ILE N N 15 . 1 1 138 138 ILE H H 1 0.806459 0.007679 . . . 250 ILE N . 250 ILE H 50283 3 stop_ save_