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 50284
_Heteronucl_NOE_list.ID 1
_Heteronucl_NOE_list.Name 'P-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' . . . 50284 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 . . 50284 1
3 $software_3 . . 50284 1
4 $software_4 . . 50284 1
5 $software_5 . . 50284 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 0.388457 0.204279 . . . 114 LEU N . 114 LEU H 50284 1
2 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.686136 0.029093 . . . 115 ILE N . 115 ILE H 50284 1
3 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 0.704841 0.035199 . . . 116 VAL N . 116 VAL H 50284 1
4 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.770775 0.041405 . . . 118 TYR N . 118 TYR H 50284 1
5 . 1 1 7 7 ASN N N 15 . 1 1 7 7 ASN H H 1 0.858809 0.048435 . . . 119 ASN N . 119 ASN H 50284 1
6 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.805878 0.039790 . . . 120 LEU N . 120 LEU H 50284 1
7 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.863788 0.040821 . . . 122 LEU N . 122 LEU H 50284 1
8 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.872808 0.225647 . . . 124 GLY N . 124 GLY H 50284 1
9 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.791084 0.033679 . . . 125 GLY N . 125 GLY H 50284 1
10 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.731170 0.033597 . . . 126 VAL N . 126 VAL H 50284 1
11 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.826691 0.041070 . . . 127 VAL N . 127 VAL H 50284 1
12 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.810410 0.042168 . . . 129 ARG N . 129 ARG H 50284 1
13 . 1 1 18 18 MET N N 15 . 1 1 18 18 MET H H 1 0.793267 0.031888 . . . 130 MET N . 130 MET H 50284 1
14 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.805226 0.044934 . . . 131 LEU N . 131 LEU H 50284 1
15 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.834257 0.043429 . . . 132 ILE N . 132 ILE H 50284 1
16 . 1 1 21 21 THR N N 15 . 1 1 21 21 THR H H 1 0.821597 0.037990 . . . 133 THR N . 133 THR H 50284 1
17 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.837499 0.039960 . . . 134 ILE N . 134 ILE H 50284 1
18 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.936462 0.048384 . . . 135 LEU N . 135 LEU H 50284 1
19 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.839611 0.030184 . . . 136 GLY N . 136 GLY H 50284 1
20 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.861068 0.040789 . . . 137 THR N . 137 THR H 50284 1
21 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.910714 0.041082 . . . 138 VAL N . 138 VAL H 50284 1
22 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.900663 0.044223 . . . 139 LYS N . 139 LYS H 50284 1
23 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.807673 0.156397 . . . 141 ASN N . 141 ASN H 50284 1
24 . 1 1 30 30 ALA N N 15 . 1 1 30 30 ALA H H 1 0.756016 0.023303 . . . 142 ALA N . 142 ALA H 50284 1
25 . 1 1 31 31 ASN N N 15 . 1 1 31 31 ASN H H 1 0.816111 0.047599 . . . 143 ASN N . 143 ASN H 50284 1
26 . 1 1 32 32 ARG N N 15 . 1 1 32 32 ARG H H 1 0.864591 0.041625 . . . 144 ARG N . 144 ARG H 50284 1
27 . 1 1 33 33 ILE N N 15 . 1 1 33 33 ILE H H 1 0.751593 0.038017 . . . 145 ILE N . 145 ILE H 50284 1
28 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.874023 0.038374 . . . 146 ALA N . 146 ALA H 50284 1
29 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.949766 0.050747 . . . 147 LEU N . 147 LEU H 50284 1
30 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.904038 0.042900 . . . 148 ASP N . 148 ASP H 50284 1
31 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.762970 0.263396 . . . 149 PHE N . 149 PHE H 50284 1
32 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.867380 0.044015 . . . 150 GLN N . 150 GLN H 50284 1
33 . 1 1 39 39 ARG N N 15 . 1 1 39 39 ARG H H 1 0.825427 0.045714 . . . 151 ARG N . 151 ARG H 50284 1
34 . 1 1 42 42 ASP N N 15 . 1 1 42 42 ASP H H 1 0.881354 0.036459 . . . 154 ASP N . 154 ASP H 50284 1
35 . 1 1 43 43 VAL N N 15 . 1 1 43 43 VAL H H 1 0.844097 0.044192 . . . 155 VAL N . 155 VAL H 50284 1
36 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 0.867272 0.028862 . . . 156 ALA N . 156 ALA H 50284 1
37 . 1 1 45 45 PHE N N 15 . 1 1 45 45 PHE H H 1 0.789427 0.032359 . . . 157 PHE N . 157 PHE H 50284 1
38 . 1 1 46 46 HIS N N 15 . 1 1 46 46 HIS H H 1 0.862512 0.053301 . . . 158 HIS N . 158 HIS H 50284 1
39 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.831908 0.042082 . . . 159 PHE N . 159 PHE H 50284 1
40 . 1 1 48 48 ASN N N 15 . 1 1 48 48 ASN H H 1 0.905485 0.047925 . . . 160 ASN N . 160 ASN H 50284 1
41 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.788269 0.040556 . . . 162 ARG N . 162 ARG H 50284 1
42 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.836079 0.047865 . . . 163 PHE N . 163 PHE H 50284 1
43 . 1 1 52 52 ASN N N 15 . 1 1 52 52 ASN H H 1 0.849190 0.038222 . . . 164 ASN N . 164 ASN H 50284 1
44 . 1 1 53 53 GLU N N 15 . 1 1 53 53 GLU H H 1 0.790656 0.023102 . . . 165 GLU N . 165 GLU H 50284 1
45 . 1 1 55 55 ASN N N 15 . 1 1 55 55 ASN H H 1 0.820686 0.036528 . . . 167 ASN N . 167 ASN H 50284 1
46 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.768958 0.029191 . . . 168 ARG N . 168 ARG H 50284 1
47 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.798319 0.035372 . . . 169 ARG N . 169 ARG H 50284 1
48 . 1 1 58 58 VAL N N 15 . 1 1 58 58 VAL H H 1 0.808383 0.033137 . . . 170 VAL N . 170 VAL H 50284 1
49 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 0.819445 0.040255 . . . 171 ILE N . 171 ILE H 50284 1
50 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.778991 0.038718 . . . 172 VAL N . 172 VAL H 50284 1
51 . 1 1 61 61 CYS N N 15 . 1 1 61 61 CYS H H 1 0.940343 0.054683 . . . 173 CYS N . 173 CYS H 50284 1
52 . 1 1 62 62 ASN N N 15 . 1 1 62 62 ASN H H 1 0.826375 0.034634 . . . 174 ASN N . 174 ASN H 50284 1
53 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.848193 0.041941 . . . 175 THR N . 175 THR H 50284 1
54 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.906556 0.051364 . . . 176 LYS N . 176 LYS H 50284 1
55 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.855418 0.038804 . . . 177 LEU N . 177 LEU H 50284 1
56 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.794356 0.032896 . . . 178 ASP N . 178 ASP H 50284 1
57 . 1 1 67 67 ASN N N 15 . 1 1 67 67 ASN H H 1 0.825446 0.036195 . . . 179 ASN N . 179 ASN H 50284 1
58 . 1 1 68 68 ASN N N 15 . 1 1 68 68 ASN H H 1 0.809269 0.028299 . . . 180 ASN N . 180 ASN H 50284 1
59 . 1 1 69 69 TRP N N 15 . 1 1 69 69 TRP H H 1 0.945977 0.050702 . . . 181 TRP N . 181 TRP H 50284 1
60 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.822020 0.039854 . . . 182 GLY N . 182 GLY H 50284 1
61 . 1 1 71 71 ARG N N 15 . 1 1 71 71 ARG H H 1 0.934017 0.048351 . . . 183 ARG N . 183 ARG H 50284 1
62 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.800861 0.032440 . . . 184 GLU N . 184 GLU H 50284 1
63 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.757875 0.037945 . . . 185 GLU N . 185 GLU H 50284 1
64 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.854623 0.096502 . . . 186 ARG N . 186 ARG H 50284 1
65 . 1 1 75 75 GLN N N 15 . 1 1 75 75 GLN H H 1 0.834188 0.042104 . . . 187 GLN N . 187 GLN H 50284 1
66 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.874388 0.037719 . . . 189 VAL N . 189 VAL H 50284 1
67 . 1 1 78 78 PHE N N 15 . 1 1 78 78 PHE H H 1 0.994433 0.067364 . . . 190 PHE N . 190 PHE H 50284 1
68 . 1 1 80 80 PHE N N 15 . 1 1 80 80 PHE H H 1 0.779727 0.028129 . . . 192 PHE N . 192 PHE H 50284 1
69 . 1 1 81 81 GLU N N 15 . 1 1 81 81 GLU H H 1 0.876677 0.041269 . . . 193 GLU N . 193 GLU H 50284 1
70 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.909709 0.069710 . . . 194 SER N . 194 SER H 50284 1
71 . 1 1 83 83 GLY N N 15 . 1 1 83 83 GLY H H 1 0.782292 0.040519 . . . 195 GLY N . 195 GLY H 50284 1
72 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.818222 0.033338 . . . 196 LYS N . 196 LYS H 50284 1
73 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.830524 0.035185 . . . 198 PHE N . 198 PHE H 50284 1
74 . 1 1 87 87 LYS N N 15 . 1 1 87 87 LYS H H 1 0.862846 0.045147 . . . 199 LYS N . 199 LYS H 50284 1
75 . 1 1 88 88 ILE N N 15 . 1 1 88 88 ILE H H 1 0.854864 0.038457 . . . 200 ILE N . 200 ILE H 50284 1
76 . 1 1 89 89 GLN N N 15 . 1 1 89 89 GLN H H 1 0.853109 0.020994 . . . 201 GLN N . 201 GLN H 50284 1
77 . 1 1 90 90 VAL N N 15 . 1 1 90 90 VAL H H 1 0.891745 0.044928 . . . 202 VAL N . 202 VAL H 50284 1
78 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 0.921900 0.050323 . . . 203 LEU N . 203 LEU H 50284 1
79 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.879039 0.047526 . . . 204 VAL N . 204 VAL H 50284 1
80 . 1 1 93 93 GLU N N 15 . 1 1 93 93 GLU H H 1 0.947979 0.047293 . . . 205 GLU N . 205 GLU H 50284 1
81 . 1 1 95 95 ASP N N 15 . 1 1 95 95 ASP H H 1 0.885560 0.064867 . . . 207 ASP N . 207 ASP H 50284 1
82 . 1 1 96 96 HIS N N 15 . 1 1 96 96 HIS H H 1 0.800530 0.035050 . . . 208 HIS N . 208 HIS H 50284 1
83 . 1 1 97 97 PHE N N 15 . 1 1 97 97 PHE H H 1 0.846052 0.047653 . . . 209 PHE N . 209 PHE H 50284 1
84 . 1 1 98 98 LYS N N 15 . 1 1 98 98 LYS H H 1 0.897980 0.044970 . . . 210 LYS N . 210 LYS H 50284 1
85 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 0.854829 0.030892 . . . 211 VAL N . 211 VAL H 50284 1
86 . 1 1 100 100 ALA N N 15 . 1 1 100 100 ALA H H 1 0.874300 0.042024 . . . 212 ALA N . 212 ALA H 50284 1
87 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.788596 0.037455 . . . 213 VAL N . 213 VAL H 50284 1
88 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.811675 0.037402 . . . 214 ASN N . 214 ASN H 50284 1
89 . 1 1 103 103 ASP N N 15 . 1 1 103 103 ASP H H 1 0.799061 0.024283 . . . 215 ASP N . 215 ASP H 50284 1
90 . 1 1 104 104 ALA N N 15 . 1 1 104 104 ALA H H 1 0.844638 0.029328 . . . 216 ALA N . 216 ALA H 50284 1
91 . 1 1 106 106 LEU N N 15 . 1 1 106 106 LEU H H 1 0.768321 0.039543 . . . 218 LEU N . 218 LEU H 50284 1
92 . 1 1 107 107 LEU N N 15 . 1 1 107 107 LEU H H 1 0.796861 0.043455 . . . 219 LEU N . 219 LEU H 50284 1
93 . 1 1 108 108 GLN N N 15 . 1 1 108 108 GLN H H 1 0.795074 0.039523 . . . 220 GLN N . 220 GLN H 50284 1
94 . 1 1 109 109 TYR N N 15 . 1 1 109 109 TYR H H 1 0.781302 0.038427 . . . 221 TYR N . 221 TYR H 50284 1
95 . 1 1 110 110 ASN N N 15 . 1 1 110 110 ASN H H 1 0.745773 0.030880 . . . 222 ASN N . 222 ASN H 50284 1
96 . 1 1 111 111 HIS N N 15 . 1 1 111 111 HIS H H 1 0.834577 0.033592 . . . 223 HIS N . 223 HIS H 50284 1
97 . 1 1 112 112 ARG N N 15 . 1 1 112 112 ARG H H 1 0.889332 0.062166 . . . 224 ARG N . 224 ARG H 50284 1
98 . 1 1 113 113 VAL N N 15 . 1 1 113 113 VAL H H 1 0.897239 0.056549 . . . 225 VAL N . 225 VAL H 50284 1
99 . 1 1 115 115 LYS N N 15 . 1 1 115 115 LYS H H 1 0.759856 0.070408 . . . 227 LYS N . 227 LYS H 50284 1
100 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.883469 0.039250 . . . 228 LEU N . 228 LEU H 50284 1
101 . 1 1 117 117 ASN N N 15 . 1 1 117 117 ASN H H 1 0.833799 0.028993 . . . 229 ASN N . 229 ASN H 50284 1
102 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.847053 0.037864 . . . 230 GLU N . 230 GLU H 50284 1
103 . 1 1 119 119 ILE N N 15 . 1 1 119 119 ILE H H 1 0.830258 0.036520 . . . 231 ILE N . 231 ILE H 50284 1
104 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.728328 0.037955 . . . 232 SER N . 232 SER H 50284 1
105 . 1 1 121 121 LYS N N 15 . 1 1 121 121 LYS H H 1 0.857096 0.032397 . . . 233 LYS N . 233 LYS H 50284 1
106 . 1 1 122 122 LEU N N 15 . 1 1 122 122 LEU H H 1 0.777806 0.039355 . . . 234 LEU N . 234 LEU H 50284 1
107 . 1 1 123 123 GLY N N 15 . 1 1 123 123 GLY H H 1 0.840586 0.044155 . . . 235 GLY N . 235 GLY H 50284 1
108 . 1 1 124 124 ILE N N 15 . 1 1 124 124 ILE H H 1 0.841258 0.047605 . . . 236 ILE N . 236 ILE H 50284 1
109 . 1 1 125 125 SER N N 15 . 1 1 125 125 SER H H 1 0.917196 0.039326 . . . 237 SER N . 237 SER H 50284 1
110 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.873170 0.042768 . . . 238 GLY N . 238 GLY H 50284 1
111 . 1 1 127 127 ASP N N 15 . 1 1 127 127 ASP H H 1 0.894368 0.038496 . . . 239 ASP N . 239 ASP H 50284 1
112 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.803548 0.036598 . . . 240 ILE N . 240 ILE H 50284 1
113 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.844512 0.047073 . . . 241 ASP N . 241 ASP H 50284 1
114 . 1 1 130 130 LEU N N 15 . 1 1 130 130 LEU H H 1 0.868806 0.040833 . . . 242 LEU N . 242 LEU H 50284 1
115 . 1 1 131 131 THR N N 15 . 1 1 131 131 THR H H 1 0.905339 0.058543 . . . 243 THR N . 243 THR H 50284 1
116 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.805697 0.032090 . . . 244 SER N . 244 SER H 50284 1
117 . 1 1 133 133 ALA N N 15 . 1 1 133 133 ALA H H 1 0.876272 0.036278 . . . 245 ALA N . 245 ALA H 50284 1
118 . 1 1 134 134 SER N N 15 . 1 1 134 134 SER H H 1 0.837904 0.031538 . . . 246 SER N . 246 SER H 50284 1
119 . 1 1 135 135 TYR N N 15 . 1 1 135 135 TYR H H 1 0.847393 0.032513 . . . 247 TYR N . 247 TYR H 50284 1
120 . 1 1 136 136 THR N N 15 . 1 1 136 136 THR H H 1 0.836489 0.036169 . . . 248 THR N . 248 THR H 50284 1
121 . 1 1 137 137 MET N N 15 . 1 1 137 137 MET H H 1 0.822310 0.037024 . . . 249 MET N . 249 MET H 50284 1
122 . 1 1 138 138 ILE N N 15 . 1 1 138 138 ILE H H 1 0.843149 0.038870 . . . 250 ILE N . 250 ILE H 50284 1
stop_
save_