data_19469
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19469
_Entry.PDB_ID 2MD2
save_
save_delta_chem_shifts
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts
_Entity_delta_chem_shifts.Model_type single
_Entity_delta_chem_shifts.Entry_ID 19469
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 LYS HA H 2 4.089 4.089 3.948 0.141 19469
2 1 1 . 1 1 2 2 LYS H H 2 7.997 7.997 8.714 -0.717 19469
3 1 1 . 1 1 3 3 LEU HA H 3 4.213 4.213 3.886 0.327 19469
4 1 1 . 1 1 3 3 LEU H H 3 7.912 7.912 7.066 0.846 19469
5 1 1 . 1 1 4 4 LEU HA H 4 4.348 4.348 4.400 -0.052 19469
6 1 1 . 1 1 4 4 LEU H H 4 8.126 8.126 7.710 0.416 19469
7 1 1 . 1 1 5 5 SER HA H 5 4.403 4.403 4.470 -0.067 19469
8 1 1 . 1 1 5 5 SER H H 5 8.197 8.197 8.459 -0.262 19469
9 1 1 . 1 1 6 6 LYS HA H 6 4.286 4.286 3.950 0.336 19469
10 1 1 . 1 1 6 6 LYS H H 6 8.317 8.317 8.267 0.050 19469
11 1 1 . 1 1 7 7 ALA HA H 7 4.321 4.321 4.146 0.175 19469
12 1 1 . 1 1 7 7 ALA H H 7 8.270 8.270 7.974 0.296 19469
13 1 1 . 1 1 8 8 GLN HA H 8 4.280 4.280 4.446 -0.166 19469
14 1 1 . 1 1 8 8 GLN H H 8 8.299 8.299 8.094 0.205 19469
15 1 1 . 1 1 9 9 GLU HA H 9 4.313 4.313 4.487 -0.174 19469
16 1 1 . 1 1 9 9 GLU H H 9 8.362 8.362 7.610 0.752 19469
17 1 2 . 1 1 2 2 LYS HA H 2 4.089 4.089 3.945 0.144 19469
18 1 2 . 1 1 2 2 LYS H H 2 7.997 7.997 8.706 -0.709 19469
19 1 2 . 1 1 3 3 LEU HA H 3 4.213 4.213 3.883 0.330 19469
20 1 2 . 1 1 3 3 LEU H H 3 7.912 7.912 7.042 0.870 19469
21 1 2 . 1 1 4 4 LEU HA H 4 4.348 4.348 4.347 0.001 19469
22 1 2 . 1 1 4 4 LEU H H 4 8.126 8.126 7.784 0.342 19469
23 1 2 . 1 1 5 5 SER HA H 5 4.403 4.403 4.500 -0.097 19469
24 1 2 . 1 1 5 5 SER H H 5 8.197 8.197 8.567 -0.370 19469
25 1 2 . 1 1 6 6 LYS HA H 6 4.286 4.286 3.979 0.307 19469
26 1 2 . 1 1 6 6 LYS H H 6 8.317 8.317 8.376 -0.059 19469
27 1 2 . 1 1 7 7 ALA HA H 7 4.321 4.321 4.184 0.137 19469
28 1 2 . 1 1 7 7 ALA H H 7 8.270 8.270 8.274 -0.004 19469
29 1 2 . 1 1 8 8 GLN HA H 8 4.280 4.280 4.379 -0.099 19469
30 1 2 . 1 1 8 8 GLN H H 8 8.299 8.299 8.211 0.088 19469
31 1 2 . 1 1 9 9 GLU HA H 9 4.313 4.313 4.420 -0.107 19469
32 1 2 . 1 1 9 9 GLU H H 9 8.362 8.362 7.968 0.394 19469
33 1 3 . 1 1 2 2 LYS HA H 2 4.089 4.089 4.001 0.088 19469
34 1 3 . 1 1 2 2 LYS H H 2 7.997 7.997 8.683 -0.686 19469
35 1 3 . 1 1 3 3 LEU HA H 3 4.213 4.213 3.880 0.333 19469
36 1 3 . 1 1 3 3 LEU H H 3 7.912 7.912 7.089 0.823 19469
37 1 3 . 1 1 4 4 LEU HA H 4 4.348 4.348 4.339 0.009 19469
38 1 3 . 1 1 4 4 LEU H H 4 8.126 8.126 7.708 0.418 19469
39 1 3 . 1 1 5 5 SER HA H 5 4.403 4.403 4.501 -0.098 19469
40 1 3 . 1 1 5 5 SER H H 5 8.197 8.197 8.518 -0.321 19469
41 1 3 . 1 1 6 6 LYS HA H 6 4.286 4.286 4.017 0.269 19469
42 1 3 . 1 1 6 6 LYS H H 6 8.317 8.317 8.185 0.132 19469
43 1 3 . 1 1 7 7 ALA HA H 7 4.321 4.321 4.190 0.131 19469
44 1 3 . 1 1 7 7 ALA H H 7 8.270 8.270 8.076 0.194 19469
45 1 3 . 1 1 8 8 GLN HA H 8 4.280 4.280 4.436 -0.156 19469
46 1 3 . 1 1 8 8 GLN H H 8 8.299 8.299 8.183 0.116 19469
47 1 3 . 1 1 9 9 GLU HA H 9 4.313 4.313 4.445 -0.132 19469
48 1 3 . 1 1 9 9 GLU H H 9 8.362 8.362 7.922 0.440 19469
49 1 4 . 1 1 2 2 LYS HA H 2 4.089 4.089 3.979 0.110 19469
50 1 4 . 1 1 2 2 LYS H H 2 7.997 7.997 8.727 -0.730 19469
51 1 4 . 1 1 3 3 LEU HA H 3 4.213 4.213 3.897 0.316 19469
52 1 4 . 1 1 3 3 LEU H H 3 7.912 7.912 7.257 0.655 19469
53 1 4 . 1 1 4 4 LEU HA H 4 4.348 4.348 4.356 -0.008 19469
54 1 4 . 1 1 4 4 LEU H H 4 8.126 8.126 7.601 0.525 19469
55 1 4 . 1 1 5 5 SER HA H 5 4.403 4.403 4.818 -0.415 19469
56 1 4 . 1 1 5 5 SER H H 5 8.197 8.197 8.462 -0.265 19469
57 1 4 . 1 1 6 6 LYS HA H 6 4.286 4.286 4.060 0.226 19469
58 1 4 . 1 1 6 6 LYS H H 6 8.317 8.317 8.199 0.118 19469
59 1 4 . 1 1 7 7 ALA HA H 7 4.321 4.321 4.181 0.140 19469
60 1 4 . 1 1 7 7 ALA H H 7 8.270 8.270 8.047 0.223 19469
61 1 4 . 1 1 8 8 GLN HA H 8 4.280 4.280 4.323 -0.043 19469
62 1 4 . 1 1 8 8 GLN H H 8 8.299 8.299 8.153 0.146 19469
63 1 4 . 1 1 9 9 GLU HA H 9 4.313 4.313 4.110 0.203 19469
64 1 4 . 1 1 9 9 GLU H H 9 8.362 8.362 8.013 0.349 19469
65 1 5 . 1 1 2 2 LYS HA H 2 4.089 4.089 3.968 0.121 19469
66 1 5 . 1 1 2 2 LYS H H 2 7.997 7.997 8.720 -0.723 19469
67 1 5 . 1 1 3 3 LEU HA H 3 4.213 4.213 3.900 0.313 19469
68 1 5 . 1 1 3 3 LEU H H 3 7.912 7.912 7.022 0.890 19469
69 1 5 . 1 1 4 4 LEU HA H 4 4.348 4.348 4.349 -0.001 19469
70 1 5 . 1 1 4 4 LEU H H 4 8.126 8.126 7.791 0.335 19469
71 1 5 . 1 1 5 5 SER HA H 5 4.403 4.403 4.505 -0.102 19469
72 1 5 . 1 1 5 5 SER H H 5 8.197 8.197 8.568 -0.371 19469
73 1 5 . 1 1 6 6 LYS HA H 6 4.286 4.286 3.973 0.313 19469
74 1 5 . 1 1 6 6 LYS H H 6 8.317 8.317 8.357 -0.040 19469
75 1 5 . 1 1 7 7 ALA HA H 7 4.321 4.321 4.163 0.158 19469
76 1 5 . 1 1 7 7 ALA H H 7 8.270 8.270 8.485 -0.215 19469
77 1 5 . 1 1 8 8 GLN HA H 8 4.280 4.280 4.385 -0.105 19469
78 1 5 . 1 1 8 8 GLN H H 8 8.299 8.299 8.113 0.186 19469
79 1 5 . 1 1 9 9 GLU HA H 9 4.313 4.313 4.347 -0.034 19469
80 1 5 . 1 1 9 9 GLU H H 9 8.362 8.362 7.767 0.595 19469
81 1 6 . 1 1 2 2 LYS HA H 2 4.089 4.089 3.934 0.155 19469
82 1 6 . 1 1 2 2 LYS H H 2 7.997 7.997 8.760 -0.763 19469
83 1 6 . 1 1 3 3 LEU HA H 3 4.213 4.213 3.885 0.328 19469
84 1 6 . 1 1 3 3 LEU H H 3 7.912 7.912 7.174 0.738 19469
85 1 6 . 1 1 4 4 LEU HA H 4 4.348 4.348 4.337 0.011 19469
86 1 6 . 1 1 4 4 LEU H H 4 8.126 8.126 7.641 0.485 19469
87 1 6 . 1 1 5 5 SER HA H 5 4.403 4.403 4.464 -0.061 19469
88 1 6 . 1 1 5 5 SER H H 5 8.197 8.197 8.484 -0.287 19469
89 1 6 . 1 1 6 6 LYS HA H 6 4.286 4.286 3.980 0.306 19469
90 1 6 . 1 1 6 6 LYS H H 6 8.317 8.317 8.427 -0.110 19469
91 1 6 . 1 1 7 7 ALA HA H 7 4.321 4.321 4.206 0.115 19469
92 1 6 . 1 1 7 7 ALA H H 7 8.270 8.270 7.935 0.335 19469
93 1 6 . 1 1 8 8 GLN HA H 8 4.280 4.280 4.384 -0.104 19469
94 1 6 . 1 1 8 8 GLN H H 8 8.299 8.299 8.020 0.279 19469
95 1 6 . 1 1 9 9 GLU HA H 9 4.313 4.313 4.322 -0.009 19469
96 1 6 . 1 1 9 9 GLU H H 9 8.362 8.362 7.664 0.698 19469
97 1 7 . 1 1 2 2 LYS HA H 2 4.089 4.089 3.974 0.115 19469
98 1 7 . 1 1 2 2 LYS H H 2 7.997 7.997 8.714 -0.717 19469
99 1 7 . 1 1 3 3 LEU HA H 3 4.213 4.213 3.899 0.314 19469
100 1 7 . 1 1 3 3 LEU H H 3 7.912 7.912 7.021 0.891 19469
101 1 7 . 1 1 4 4 LEU HA H 4 4.348 4.348 4.359 -0.011 19469
102 1 7 . 1 1 4 4 LEU H H 4 8.126 8.126 7.756 0.370 19469
103 1 7 . 1 1 5 5 SER HA H 5 4.403 4.403 4.498 -0.095 19469
104 1 7 . 1 1 5 5 SER H H 5 8.197 8.197 8.554 -0.357 19469
105 1 7 . 1 1 6 6 LYS HA H 6 4.286 4.286 3.958 0.328 19469
106 1 7 . 1 1 6 6 LYS H H 6 8.317 8.317 8.297 0.020 19469
107 1 7 . 1 1 7 7 ALA HA H 7 4.321 4.321 4.116 0.205 19469
108 1 7 . 1 1 7 7 ALA H H 7 8.270 8.270 8.463 -0.193 19469
109 1 7 . 1 1 8 8 GLN HA H 8 4.280 4.280 4.333 -0.053 19469
110 1 7 . 1 1 8 8 GLN H H 8 8.299 8.299 8.145 0.154 19469
111 1 7 . 1 1 9 9 GLU HA H 9 4.313 4.313 4.378 -0.065 19469
112 1 7 . 1 1 9 9 GLU H H 9 8.362 8.362 8.160 0.202 19469
113 1 8 . 1 1 2 2 LYS HA H 2 4.089 4.089 3.940 0.149 19469
114 1 8 . 1 1 2 2 LYS H H 2 7.997 7.997 8.663 -0.666 19469
115 1 8 . 1 1 3 3 LEU HA H 3 4.213 4.213 3.870 0.343 19469
116 1 8 . 1 1 3 3 LEU H H 3 7.912 7.912 7.098 0.814 19469
117 1 8 . 1 1 4 4 LEU HA H 4 4.348 4.348 4.326 0.022 19469
118 1 8 . 1 1 4 4 LEU H H 4 8.126 8.126 7.737 0.389 19469
119 1 8 . 1 1 5 5 SER HA H 5 4.403 4.403 4.708 -0.305 19469
120 1 8 . 1 1 5 5 SER H H 5 8.197 8.197 8.507 -0.310 19469
121 1 8 . 1 1 6 6 LYS HA H 6 4.286 4.286 3.934 0.352 19469
122 1 8 . 1 1 6 6 LYS H H 6 8.317 8.317 8.375 -0.058 19469
123 1 8 . 1 1 7 7 ALA HA H 7 4.321 4.321 4.155 0.166 19469
124 1 8 . 1 1 7 7 ALA H H 7 8.270 8.270 8.101 0.169 19469
125 1 8 . 1 1 8 8 GLN HA H 8 4.280 4.280 4.372 -0.092 19469
126 1 8 . 1 1 8 8 GLN H H 8 8.299 8.299 8.152 0.147 19469
127 1 8 . 1 1 9 9 GLU HA H 9 4.313 4.313 4.417 -0.104 19469
128 1 8 . 1 1 9 9 GLU H H 9 8.362 8.362 7.517 0.845 19469
129 1 9 . 1 1 2 2 LYS HA H 2 4.089 4.089 3.957 0.132 19469
130 1 9 . 1 1 2 2 LYS H H 2 7.997 7.997 8.717 -0.720 19469
131 1 9 . 1 1 3 3 LEU HA H 3 4.213 4.213 3.900 0.313 19469
132 1 9 . 1 1 3 3 LEU H H 3 7.912 7.912 7.021 0.891 19469
133 1 9 . 1 1 4 4 LEU HA H 4 4.348 4.348 4.352 -0.004 19469
134 1 9 . 1 1 4 4 LEU H H 4 8.126 8.126 7.789 0.337 19469
135 1 9 . 1 1 5 5 SER HA H 5 4.403 4.403 4.480 -0.077 19469
136 1 9 . 1 1 5 5 SER H H 5 8.197 8.197 8.593 -0.396 19469
137 1 9 . 1 1 6 6 LYS HA H 6 4.286 4.286 4.048 0.238 19469
138 1 9 . 1 1 6 6 LYS H H 6 8.317 8.317 8.316 0.001 19469
139 1 9 . 1 1 7 7 ALA HA H 7 4.321 4.321 4.220 0.101 19469
140 1 9 . 1 1 7 7 ALA H H 7 8.270 8.270 8.330 -0.060 19469
141 1 9 . 1 1 8 8 GLN HA H 8 4.280 4.280 4.496 -0.216 19469
142 1 9 . 1 1 8 8 GLN H H 8 8.299 8.299 8.022 0.277 19469
143 1 9 . 1 1 9 9 GLU HA H 9 4.313 4.313 4.394 -0.081 19469
144 1 9 . 1 1 9 9 GLU H H 9 8.362 8.362 7.953 0.409 19469
145 1 10 . 1 1 2 2 LYS HA H 2 4.089 4.089 3.946 0.143 19469
146 1 10 . 1 1 2 2 LYS H H 2 7.997 7.997 8.698 -0.701 19469
147 1 10 . 1 1 3 3 LEU HA H 3 4.213 4.213 3.875 0.338 19469
148 1 10 . 1 1 3 3 LEU H H 3 7.912 7.912 7.226 0.686 19469
149 1 10 . 1 1 4 4 LEU HA H 4 4.348 4.348 4.342 0.006 19469
150 1 10 . 1 1 4 4 LEU H H 4 8.126 8.126 7.584 0.542 19469
151 1 10 . 1 1 5 5 SER HA H 5 4.403 4.403 4.466 -0.063 19469
152 1 10 . 1 1 5 5 SER H H 5 8.197 8.197 8.518 -0.321 19469
153 1 10 . 1 1 6 6 LYS HA H 6 4.286 4.286 3.945 0.341 19469
154 1 10 . 1 1 6 6 LYS H H 6 8.317 8.317 8.323 -0.006 19469
155 1 10 . 1 1 7 7 ALA HA H 7 4.321 4.321 4.178 0.143 19469
156 1 10 . 1 1 7 7 ALA H H 7 8.270 8.270 8.192 0.078 19469
157 1 10 . 1 1 8 8 GLN HA H 8 4.280 4.280 4.312 -0.032 19469
158 1 10 . 1 1 8 8 GLN H H 8 8.299 8.299 8.137 0.162 19469
159 1 10 . 1 1 9 9 GLU HA H 9 4.313 4.313 4.308 0.005 19469
160 1 10 . 1 1 9 9 GLU H H 9 8.362 8.362 7.559 0.803 19469
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 0 0.000 0.000 0.000 19469
2 1 1 "Average Difference" HA 8 0.205 -0.065 0.207 19469
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19469
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19469
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19469
6 1 1 "Average Difference" HN 8 0.521 -0.198 0.515 19469
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19469
8 1 2 "Average Difference" HA 8 0.185 -0.077 0.180 19469
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19469
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19469
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19469
12 1 2 "Average Difference" HN 8 0.458 -0.069 0.484 19469
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19469
14 1 3 "Average Difference" HA 8 0.180 -0.056 0.183 19469
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19469
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19469
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19469
18 1 3 "Average Difference" HN 8 0.459 -0.139 0.468 19469
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19469
20 1 4 "Average Difference" HA 8 0.223 -0.066 0.228 19469
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19469
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19469
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19469
24 1 4 "Average Difference" HN 8 0.435 -0.128 0.445 19469
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19469
26 1 5 "Average Difference" HA 8 0.180 -0.083 0.170 19469
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19469
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19469
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19469
30 1 5 "Average Difference" HN 8 0.500 -0.082 0.527 19469
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19469
32 1 6 "Average Difference" HA 8 0.178 -0.093 0.162 19469
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19469
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19469
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19469
36 1 6 "Average Difference" HN 8 0.516 -0.172 0.520 19469
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19469
38 1 7 "Average Difference" HA 8 0.186 -0.092 0.173 19469
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19469
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19469
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19469
42 1 7 "Average Difference" HN 8 0.457 -0.046 0.486 19469
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19469
44 1 8 "Average Difference" HA 8 0.225 -0.066 0.230 19469
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19469
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19469
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19469
48 1 8 "Average Difference" HN 8 0.515 -0.166 0.521 19469
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19469
50 1 9 "Average Difference" HA 8 0.174 -0.051 0.177 19469
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19469
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19469
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19469
54 1 9 "Average Difference" HN 8 0.478 -0.092 0.502 19469
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19469
56 1 10 "Average Difference" HA 8 0.186 -0.110 0.160 19469
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19469
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19469
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19469
60 1 10 "Average Difference" HN 8 0.504 -0.155 0.513 19469
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Model_type average
_Entity_delta_chem_shifts.Entry_ID 19469
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 LYS HA H 2 4.089 4.089 3.959 0.130 19469
2 1 . 1 1 2 2 LYS H H 2 7.997 7.997 8.710 -0.713 19469
3 1 . 1 1 3 3 LEU HA H 3 4.213 4.213 3.888 0.326 19469
4 1 . 1 1 3 3 LEU H H 3 7.912 7.912 7.102 0.810 19469
5 1 . 1 1 4 4 LEU HA H 4 4.348 4.348 4.351 -0.003 19469
6 1 . 1 1 4 4 LEU H H 4 8.126 8.126 7.710 0.416 19469
7 1 . 1 1 5 5 SER HA H 5 4.403 4.403 4.541 -0.138 19469
8 1 . 1 1 5 5 SER H H 5 8.197 8.197 8.523 -0.326 19469
9 1 . 1 1 6 6 LYS HA H 6 4.286 4.286 3.984 0.302 19469
10 1 . 1 1 6 6 LYS H H 6 8.317 8.317 8.312 0.005 19469
11 1 . 1 1 7 7 ALA HA H 7 4.321 4.321 4.174 0.147 19469
12 1 . 1 1 7 7 ALA H H 7 8.270 8.270 8.188 0.082 19469
13 1 . 1 1 8 8 GLN HA H 8 4.280 4.280 4.387 -0.107 19469
14 1 . 1 1 8 8 GLN H H 8 8.299 8.299 8.123 0.176 19469
15 1 . 1 1 9 9 GLU HA H 9 4.313 4.313 4.363 -0.050 19469
16 1 . 1 1 9 9 GLU H H 9 8.362 8.362 7.813 0.549 19469
stop_
save_