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 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_