Content for NMR-STAR saveframe, "heteronucl_NOEs_1"
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_