Content for NMR-STAR saveframe, "heteronucl_NOEs_3"
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_