Content for NMR-STAR saveframe, "heteronucl_NOEs_2"
save_heteronucl_NOEs_2
_Heteronucl_NOE_list.Sf_category heteronucl_NOEs
_Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_2
_Heteronucl_NOE_list.Entry_ID 50284
_Heteronucl_NOE_list.ID 2
_Heteronucl_NOE_list.Name 'P-galectin-3C NOE 600'
_Heteronucl_NOE_list.Sample_condition_list_ID 1
_Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1
_Heteronucl_NOE_list.Spectrometer_frequency_1H 599.8821277
_Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral'
_Heteronucl_NOE_list.NOE_ref_val 1
_Heteronucl_NOE_list.NOE_ref_description .
_Heteronucl_NOE_list.Details .
_Heteronucl_NOE_list.Text_data_format .
_Heteronucl_NOE_list.Text_data .
loop_
_Heteronucl_NOE_experiment.Experiment_ID
_Heteronucl_NOE_experiment.Experiment_name
_Heteronucl_NOE_experiment.Sample_ID
_Heteronucl_NOE_experiment.Sample_label
_Heteronucl_NOE_experiment.Sample_state
_Heteronucl_NOE_experiment.Entry_ID
_Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID
10 '1H-15N heteronoe 600' . . . 50284 2
stop_
loop_
_Heteronucl_NOE_software.Software_ID
_Heteronucl_NOE_software.Software_label
_Heteronucl_NOE_software.Method_ID
_Heteronucl_NOE_software.Method_label
_Heteronucl_NOE_software.Entry_ID
_Heteronucl_NOE_software.Heteronucl_NOE_list_ID
1 $software_1 . . 50284 2
3 $software_3 . . 50284 2
4 $software_4 . . 50284 2
5 $software_5 . . 50284 2
stop_
loop_
_Heteronucl_NOE.ID
_Heteronucl_NOE.Assembly_atom_ID_1
_Heteronucl_NOE.Entity_assembly_ID_1
_Heteronucl_NOE.Entity_ID_1
_Heteronucl_NOE.Comp_index_ID_1
_Heteronucl_NOE.Seq_ID_1
_Heteronucl_NOE.Comp_ID_1
_Heteronucl_NOE.Atom_ID_1
_Heteronucl_NOE.Atom_type_1
_Heteronucl_NOE.Atom_isotope_number_1
_Heteronucl_NOE.Assembly_atom_ID_2
_Heteronucl_NOE.Entity_assembly_ID_2
_Heteronucl_NOE.Entity_ID_2
_Heteronucl_NOE.Comp_index_ID_2
_Heteronucl_NOE.Seq_ID_2
_Heteronucl_NOE.Comp_ID_2
_Heteronucl_NOE.Atom_ID_2
_Heteronucl_NOE.Atom_type_2
_Heteronucl_NOE.Atom_isotope_number_2
_Heteronucl_NOE.Val
_Heteronucl_NOE.Val_err
_Heteronucl_NOE.Resonance_ID_1
_Heteronucl_NOE.Resonance_ID_2
_Heteronucl_NOE.Auth_entity_assembly_ID_1
_Heteronucl_NOE.Auth_seq_ID_1
_Heteronucl_NOE.Auth_comp_ID_1
_Heteronucl_NOE.Auth_atom_ID_1
_Heteronucl_NOE.Auth_entity_assembly_ID_2
_Heteronucl_NOE.Auth_seq_ID_2
_Heteronucl_NOE.Auth_comp_ID_2
_Heteronucl_NOE.Auth_atom_ID_2
_Heteronucl_NOE.Entry_ID
_Heteronucl_NOE.Heteronucl_NOE_list_ID
1 . 1 1 2 2 LEU N N 15 . 1 1 2 2 LEU H H 1 0.372629 0.103038 . . . 114 LEU N . 114 LEU H 50284 2
2 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.674677 0.012392 . . . 115 ILE N . 115 ILE H 50284 2
3 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 0.666431 0.015965 . . . 116 VAL N . 116 VAL H 50284 2
4 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.781778 0.020660 . . . 118 TYR N . 118 TYR H 50284 2
5 . 1 1 7 7 ASN N N 15 . 1 1 7 7 ASN H H 1 0.764018 0.021266 . . . 119 ASN N . 119 ASN H 50284 2
6 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.807268 0.018406 . . . 120 LEU N . 120 LEU H 50284 2
7 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.791521 0.019453 . . . 122 LEU N . 122 LEU H 50284 2
8 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.787056 0.216194 . . . 124 GLY N . 124 GLY H 50284 2
9 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.785857 0.015018 . . . 125 GLY N . 125 GLY H 50284 2
10 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.733496 0.016538 . . . 126 VAL N . 126 VAL H 50284 2
11 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.786390 0.018975 . . . 127 VAL N . 127 VAL H 50284 2
12 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.783647 0.019713 . . . 129 ARG N . 129 ARG H 50284 2
13 . 1 1 18 18 MET N N 15 . 1 1 18 18 MET H H 1 0.791466 0.015789 . . . 130 MET N . 130 MET H 50284 2
14 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.802981 0.021398 . . . 131 LEU N . 131 LEU H 50284 2
15 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.805244 0.020492 . . . 132 ILE N . 132 ILE H 50284 2
16 . 1 1 21 21 THR N N 15 . 1 1 21 21 THR H H 1 0.811475 0.017269 . . . 133 THR N . 133 THR H 50284 2
17 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.804395 0.018572 . . . 134 ILE N . 134 ILE H 50284 2
18 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.824627 0.019612 . . . 135 LEU N . 135 LEU H 50284 2
19 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.790363 0.012761 . . . 136 GLY N . 136 GLY H 50284 2
20 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.776159 0.016867 . . . 137 THR N . 137 THR H 50284 2
21 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.772487 0.018377 . . . 138 VAL N . 138 VAL H 50284 2
22 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.773081 0.018256 . . . 139 LYS N . 139 LYS H 50284 2
23 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.785797 0.104977 . . . 141 ASN N . 141 ASN H 50284 2
24 . 1 1 30 30 ALA N N 15 . 1 1 30 30 ALA H H 1 0.701712 0.009725 . . . 142 ALA N . 142 ALA H 50284 2
25 . 1 1 31 31 ASN N N 15 . 1 1 31 31 ASN H H 1 0.783934 0.024260 . . . 143 ASN N . 143 ASN H 50284 2
26 . 1 1 32 32 ARG N N 15 . 1 1 32 32 ARG H H 1 0.772996 0.018712 . . . 144 ARG N . 144 ARG H 50284 2
27 . 1 1 33 33 ILE N N 15 . 1 1 33 33 ILE H H 1 0.783266 0.020068 . . . 145 ILE N . 145 ILE H 50284 2
28 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.785243 0.016491 . . . 146 ALA N . 146 ALA H 50284 2
29 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.811912 0.023181 . . . 147 LEU N . 147 LEU H 50284 2
30 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.816184 0.018774 . . . 148 ASP N . 148 ASP H 50284 2
31 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.812007 0.010812 . . . 149 PHE N . 149 PHE H 50284 2
32 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.791365 0.019189 . . . 150 GLN N . 150 GLN H 50284 2
33 . 1 1 39 39 ARG N N 15 . 1 1 39 39 ARG H H 1 0.822126 0.021298 . . . 151 ARG N . 151 ARG H 50284 2
34 . 1 1 42 42 ASP N N 15 . 1 1 42 42 ASP H H 1 0.785246 0.016121 . . . 154 ASP N . 154 ASP H 50284 2
35 . 1 1 43 43 VAL N N 15 . 1 1 43 43 VAL H H 1 0.766393 0.020358 . . . 155 VAL N . 155 VAL H 50284 2
36 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 0.825990 0.015787 . . . 156 ALA N . 156 ALA H 50284 2
37 . 1 1 45 45 PHE N N 15 . 1 1 45 45 PHE H H 1 0.800390 0.016164 . . . 157 PHE N . 157 PHE H 50284 2
38 . 1 1 46 46 HIS N N 15 . 1 1 46 46 HIS H H 1 0.815682 0.023929 . . . 158 HIS N . 158 HIS H 50284 2
39 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.802670 0.020252 . . . 159 PHE N . 159 PHE H 50284 2
40 . 1 1 48 48 ASN N N 15 . 1 1 48 48 ASN H H 1 0.810961 0.021692 . . . 160 ASN N . 160 ASN H 50284 2
41 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.779603 0.023020 . . . 162 ARG N . 162 ARG H 50284 2
42 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.768177 0.023448 . . . 163 PHE N . 163 PHE H 50284 2
43 . 1 1 52 52 ASN N N 15 . 1 1 52 52 ASN H H 1 0.773567 0.016590 . . . 164 ASN N . 164 ASN H 50284 2
44 . 1 1 53 53 GLU N N 15 . 1 1 53 53 GLU H H 1 0.735406 0.015586 . . . 165 GLU N . 165 GLU H 50284 2
45 . 1 1 55 55 ASN N N 15 . 1 1 55 55 ASN H H 1 0.769266 0.015854 . . . 167 ASN N . 167 ASN H 50284 2
46 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.800903 0.015835 . . . 168 ARG N . 168 ARG H 50284 2
47 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.737005 0.016207 . . . 169 ARG N . 169 ARG H 50284 2
48 . 1 1 58 58 VAL N N 15 . 1 1 58 58 VAL H H 1 0.789742 0.016183 . . . 170 VAL N . 170 VAL H 50284 2
49 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 0.779365 0.018749 . . . 171 ILE N . 171 ILE H 50284 2
50 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.757926 0.017757 . . . 172 VAL N . 172 VAL H 50284 2
51 . 1 1 61 61 CYS N N 15 . 1 1 61 61 CYS H H 1 0.803951 0.022591 . . . 173 CYS N . 173 CYS H 50284 2
52 . 1 1 62 62 ASN N N 15 . 1 1 62 62 ASN H H 1 0.807903 0.016538 . . . 174 ASN N . 174 ASN H 50284 2
53 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.778878 0.020055 . . . 175 THR N . 175 THR H 50284 2
54 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.816056 0.020954 . . . 176 LYS N . 176 LYS H 50284 2
55 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.783188 0.018450 . . . 177 LEU N . 177 LEU H 50284 2
56 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.818603 0.016925 . . . 178 ASP N . 178 ASP H 50284 2
57 . 1 1 67 67 ASN N N 15 . 1 1 67 67 ASN H H 1 0.812567 0.016811 . . . 179 ASN N . 179 ASN H 50284 2
58 . 1 1 68 68 ASN N N 15 . 1 1 68 68 ASN H H 1 0.789296 0.014352 . . . 180 ASN N . 180 ASN H 50284 2
59 . 1 1 69 69 TRP N N 15 . 1 1 69 69 TRP H H 1 0.784115 0.020736 . . . 181 TRP N . 181 TRP H 50284 2
60 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.795652 0.018313 . . . 182 GLY N . 182 GLY H 50284 2
61 . 1 1 71 71 ARG N N 15 . 1 1 71 71 ARG H H 1 0.787218 0.021842 . . . 183 ARG N . 183 ARG H 50284 2
62 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.784049 0.015635 . . . 184 GLU N . 184 GLU H 50284 2
63 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.810342 0.020399 . . . 185 GLU N . 185 GLU H 50284 2
64 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.757924 0.055388 . . . 186 ARG N . 186 ARG H 50284 2
65 . 1 1 75 75 GLN N N 15 . 1 1 75 75 GLN H H 1 0.767084 0.018499 . . . 187 GLN N . 187 GLN H 50284 2
66 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.775490 0.018051 . . . 189 VAL N . 189 VAL H 50284 2
67 . 1 1 78 78 PHE N N 15 . 1 1 78 78 PHE H H 1 0.789842 0.028844 . . . 190 PHE N . 190 PHE H 50284 2
68 . 1 1 80 80 PHE N N 15 . 1 1 80 80 PHE H H 1 0.737695 0.012792 . . . 192 PHE N . 192 PHE H 50284 2
69 . 1 1 81 81 GLU N N 15 . 1 1 81 81 GLU H H 1 0.765365 0.017266 . . . 193 GLU N . 193 GLU H 50284 2
70 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.760555 0.032170 . . . 194 SER N . 194 SER H 50284 2
71 . 1 1 83 83 GLY N N 15 . 1 1 83 83 GLY H H 1 0.769392 0.019059 . . . 195 GLY N . 195 GLY H 50284 2
72 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 1.023099 0.026452 . . . 196 LYS N . 196 LYS H 50284 2
73 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.800714 0.016135 . . . 198 PHE N . 198 PHE H 50284 2
74 . 1 1 87 87 LYS N N 15 . 1 1 87 87 LYS H H 1 0.800691 0.020869 . . . 199 LYS N . 199 LYS H 50284 2
75 . 1 1 88 88 ILE N N 15 . 1 1 88 88 ILE H H 1 0.807243 0.018722 . . . 200 ILE N . 200 ILE H 50284 2
76 . 1 1 89 89 GLN N N 15 . 1 1 89 89 GLN H H 1 0.808517 0.024383 . . . 201 GLN N . 201 GLN H 50284 2
77 . 1 1 90 90 VAL N N 15 . 1 1 90 90 VAL H H 1 0.804489 0.020599 . . . 202 VAL N . 202 VAL H 50284 2
78 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 0.774690 0.021684 . . . 203 LEU N . 203 LEU H 50284 2
79 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.809431 0.021284 . . . 204 VAL N . 204 VAL H 50284 2
80 . 1 1 93 93 GLU N N 15 . 1 1 93 93 GLU H H 1 0.816954 0.021198 . . . 205 GLU N . 205 GLU H 50284 2
81 . 1 1 95 95 ASP N N 15 . 1 1 95 95 ASP H H 1 0.774435 0.037319 . . . 207 ASP N . 207 ASP H 50284 2
82 . 1 1 96 96 HIS N N 15 . 1 1 96 96 HIS H H 1 0.789217 0.019782 . . . 208 HIS N . 208 HIS H 50284 2
83 . 1 1 97 97 PHE N N 15 . 1 1 97 97 PHE H H 1 0.801384 0.022750 . . . 209 PHE N . 209 PHE H 50284 2
84 . 1 1 98 98 LYS N N 15 . 1 1 98 98 LYS H H 1 0.817029 0.022100 . . . 210 LYS N . 210 LYS H 50284 2
85 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 0.798283 0.020454 . . . 211 VAL N . 211 VAL H 50284 2
86 . 1 1 100 100 ALA N N 15 . 1 1 100 100 ALA H H 1 0.811292 0.017592 . . . 212 ALA N . 212 ALA H 50284 2
87 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.794885 0.019042 . . . 213 VAL N . 213 VAL H 50284 2
88 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.808250 0.020540 . . . 214 ASN N . 214 ASN H 50284 2
89 . 1 1 103 103 ASP N N 15 . 1 1 103 103 ASP H H 1 0.783684 0.016084 . . . 215 ASP N . 215 ASP H 50284 2
90 . 1 1 104 104 ALA N N 15 . 1 1 104 104 ALA H H 1 0.810387 0.013007 . . . 216 ALA N . 216 ALA H 50284 2
91 . 1 1 106 106 LEU N N 15 . 1 1 106 106 LEU H H 1 0.763897 0.026960 . . . 218 LEU N . 218 LEU H 50284 2
92 . 1 1 107 107 LEU N N 15 . 1 1 107 107 LEU H H 1 0.847094 0.026779 . . . 219 LEU N . 219 LEU H 50284 2
93 . 1 1 108 108 GLN N N 15 . 1 1 108 108 GLN H H 1 0.791543 0.018039 . . . 220 GLN N . 220 GLN H 50284 2
94 . 1 1 109 109 TYR N N 15 . 1 1 109 109 TYR H H 1 0.814603 0.021061 . . . 221 TYR N . 221 TYR H 50284 2
95 . 1 1 110 110 ASN N N 15 . 1 1 110 110 ASN H H 1 0.799618 0.014302 . . . 222 ASN N . 222 ASN H 50284 2
96 . 1 1 111 111 HIS N N 15 . 1 1 111 111 HIS H H 1 0.801301 0.015184 . . . 223 HIS N . 223 HIS H 50284 2
97 . 1 1 112 112 ARG N N 15 . 1 1 112 112 ARG H H 1 0.817378 0.032473 . . . 224 ARG N . 224 ARG H 50284 2
98 . 1 1 113 113 VAL N N 15 . 1 1 113 113 VAL H H 1 0.729590 0.020963 . . . 225 VAL N . 225 VAL H 50284 2
99 . 1 1 115 115 LYS N N 15 . 1 1 115 115 LYS H H 1 0.729164 0.046297 . . . 227 LYS N . 227 LYS H 50284 2
100 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.765717 0.016639 . . . 228 LEU N . 228 LEU H 50284 2
101 . 1 1 117 117 ASN N N 15 . 1 1 117 117 ASN H H 1 0.790786 0.013626 . . . 229 ASN N . 229 ASN H 50284 2
102 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.800449 0.017891 . . . 230 GLU N . 230 GLU H 50284 2
103 . 1 1 119 119 ILE N N 15 . 1 1 119 119 ILE H H 1 0.795224 0.018023 . . . 231 ILE N . 231 ILE H 50284 2
104 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.696349 0.017040 . . . 232 SER N . 232 SER H 50284 2
105 . 1 1 121 121 LYS N N 15 . 1 1 121 121 LYS H H 1 0.769184 0.014010 . . . 233 LYS N . 233 LYS H 50284 2
106 . 1 1 122 122 LEU N N 15 . 1 1 122 122 LEU H H 1 0.789467 0.021443 . . . 234 LEU N . 234 LEU H 50284 2
107 . 1 1 123 123 GLY N N 15 . 1 1 123 123 GLY H H 1 0.773991 0.019924 . . . 235 GLY N . 235 GLY H 50284 2
108 . 1 1 124 124 ILE N N 15 . 1 1 124 124 ILE H H 1 0.798737 0.022047 . . . 236 ILE N . 236 ILE H 50284 2
109 . 1 1 125 125 SER N N 15 . 1 1 125 125 SER H H 1 0.834100 0.015920 . . . 237 SER N . 237 SER H 50284 2
110 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.817754 0.019686 . . . 238 GLY N . 238 GLY H 50284 2
111 . 1 1 127 127 ASP N N 15 . 1 1 127 127 ASP H H 1 0.788128 0.017066 . . . 239 ASP N . 239 ASP H 50284 2
112 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.800375 0.019344 . . . 240 ILE N . 240 ILE H 50284 2
113 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.803901 0.019544 . . . 241 ASP N . 241 ASP H 50284 2
114 . 1 1 130 130 LEU N N 15 . 1 1 130 130 LEU H H 1 0.779009 0.018667 . . . 242 LEU N . 242 LEU H 50284 2
115 . 1 1 131 131 THR N N 15 . 1 1 131 131 THR H H 1 0.773703 0.024578 . . . 243 THR N . 243 THR H 50284 2
116 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.799795 0.014928 . . . 244 SER N . 244 SER H 50284 2
117 . 1 1 133 133 ALA N N 15 . 1 1 133 133 ALA H H 1 0.796506 0.016056 . . . 245 ALA N . 245 ALA H 50284 2
118 . 1 1 134 134 SER N N 15 . 1 1 134 134 SER H H 1 0.799361 0.014288 . . . 246 SER N . 246 SER H 50284 2
119 . 1 1 135 135 TYR N N 15 . 1 1 135 135 TYR H H 1 0.799886 0.014474 . . . 247 TYR N . 247 TYR H 50284 2
120 . 1 1 136 136 THR N N 15 . 1 1 136 136 THR H H 1 0.803665 0.015717 . . . 248 THR N . 248 THR H 50284 2
121 . 1 1 137 137 MET N N 15 . 1 1 137 137 MET H H 1 0.749023 0.016965 . . . 249 MET N . 249 MET H 50284 2
122 . 1 1 138 138 ILE N N 15 . 1 1 138 138 ILE H H 1 0.778819 0.017334 . . . 250 ILE N . 250 ILE H 50284 2
stop_
save_