data_26536
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 26536
_Entry.PDB_ID 2N09
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 26536
_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 4 4 GLY H H 4 8.110 8.110 7.913 0.197 26536
2 1 1 . 1 1 5 5 THR HA H 5 4.260 4.260 3.969 0.291 26536
3 1 1 . 1 1 5 5 THR H H 5 7.820 7.820 7.624 0.196 26536
4 1 1 . 1 1 6 6 PHE H H 6 8.550 8.550 8.644 -0.094 26536
5 1 1 . 1 1 7 7 THR HA H 7 4.040 4.040 4.160 -0.120 26536
6 1 1 . 1 1 7 7 THR H H 7 7.640 7.640 8.235 -0.595 26536
7 1 1 . 1 1 8 8 SER HA H 8 4.170 4.170 4.697 -0.527 26536
8 1 1 . 1 1 8 8 SER H H 8 7.890 7.890 7.880 0.010 26536
9 1 1 . 1 1 9 9 ASP HA H 9 4.340 4.340 4.606 -0.266 26536
10 1 1 . 1 1 9 9 ASP H H 9 7.750 7.750 7.929 -0.179 26536
11 1 1 . 1 1 10 10 PHE HA H 10 4.500 4.500 3.238 1.262 26536
12 1 1 . 1 1 10 10 PHE H H 10 7.720 7.720 7.683 0.037 26536
13 1 2 . 1 1 4 4 GLY H H 4 8.110 8.110 7.815 0.295 26536
14 1 2 . 1 1 5 5 THR HA H 5 4.260 4.260 3.890 0.370 26536
15 1 2 . 1 1 5 5 THR H H 5 7.820 7.820 7.630 0.190 26536
16 1 2 . 1 1 6 6 PHE H H 6 8.550 8.550 8.742 -0.192 26536
17 1 2 . 1 1 7 7 THR HA H 7 4.040 4.040 3.514 0.526 26536
18 1 2 . 1 1 7 7 THR H H 7 7.640 7.640 7.971 -0.331 26536
19 1 2 . 1 1 8 8 SER HA H 8 4.170 4.170 4.264 -0.094 26536
20 1 2 . 1 1 8 8 SER H H 8 7.890 7.890 7.921 -0.031 26536
21 1 2 . 1 1 9 9 ASP HA H 9 4.340 4.340 4.527 -0.187 26536
22 1 2 . 1 1 9 9 ASP H H 9 7.750 7.750 7.935 -0.185 26536
23 1 2 . 1 1 10 10 PHE HA H 10 4.500 4.500 4.033 0.467 26536
24 1 2 . 1 1 10 10 PHE H H 10 7.720 7.720 7.513 0.207 26536
25 1 3 . 1 1 4 4 GLY H H 4 8.110 8.110 8.209 -0.099 26536
26 1 3 . 1 1 5 5 THR HA H 5 4.260 4.260 3.913 0.347 26536
27 1 3 . 1 1 5 5 THR H H 5 7.820 7.820 7.502 0.318 26536
28 1 3 . 1 1 6 6 PHE H H 6 8.550 8.550 8.838 -0.288 26536
29 1 3 . 1 1 7 7 THR HA H 7 4.040 4.040 3.618 0.422 26536
30 1 3 . 1 1 7 7 THR H H 7 7.640 7.640 8.017 -0.377 26536
31 1 3 . 1 1 8 8 SER HA H 8 4.170 4.170 4.312 -0.142 26536
32 1 3 . 1 1 8 8 SER H H 8 7.890 7.890 8.279 -0.389 26536
33 1 3 . 1 1 9 9 ASP HA H 9 4.340 4.340 4.545 -0.205 26536
34 1 3 . 1 1 9 9 ASP H H 9 7.750 7.750 8.417 -0.667 26536
35 1 3 . 1 1 10 10 PHE HA H 10 4.500 4.500 4.508 -0.008 26536
36 1 3 . 1 1 10 10 PHE H H 10 7.720 7.720 8.036 -0.316 26536
37 1 4 . 1 1 4 4 GLY H H 4 8.110 8.110 8.419 -0.309 26536
38 1 4 . 1 1 5 5 THR HA H 5 4.260 4.260 3.972 0.288 26536
39 1 4 . 1 1 5 5 THR H H 5 7.820 7.820 7.347 0.473 26536
40 1 4 . 1 1 6 6 PHE H H 6 8.550 8.550 9.021 -0.471 26536
41 1 4 . 1 1 7 7 THR HA H 7 4.040 4.040 3.818 0.222 26536
42 1 4 . 1 1 7 7 THR H H 7 7.640 7.640 8.123 -0.483 26536
43 1 4 . 1 1 8 8 SER HA H 8 4.170 4.170 4.245 -0.075 26536
44 1 4 . 1 1 8 8 SER H H 8 7.890 7.890 7.631 0.259 26536
45 1 4 . 1 1 9 9 ASP HA H 9 4.340 4.340 4.351 -0.011 26536
46 1 4 . 1 1 9 9 ASP H H 9 7.750 7.750 8.101 -0.351 26536
47 1 4 . 1 1 10 10 PHE HA H 10 4.500 4.500 4.259 0.241 26536
48 1 4 . 1 1 10 10 PHE H H 10 7.720 7.720 7.577 0.143 26536
49 1 5 . 1 1 4 4 GLY H H 4 8.110 8.110 7.926 0.184 26536
50 1 5 . 1 1 5 5 THR HA H 5 4.260 4.260 3.914 0.346 26536
51 1 5 . 1 1 5 5 THR H H 5 7.820 7.820 7.572 0.248 26536
52 1 5 . 1 1 6 6 PHE H H 6 8.550 8.550 8.645 -0.095 26536
53 1 5 . 1 1 7 7 THR HA H 7 4.040 4.040 3.981 0.059 26536
54 1 5 . 1 1 7 7 THR H H 7 7.640 7.640 8.108 -0.468 26536
55 1 5 . 1 1 8 8 SER HA H 8 4.170 4.170 4.312 -0.142 26536
56 1 5 . 1 1 8 8 SER H H 8 7.890 7.890 7.983 -0.093 26536
57 1 5 . 1 1 9 9 ASP HA H 9 4.340 4.340 4.394 -0.054 26536
58 1 5 . 1 1 9 9 ASP H H 9 7.750 7.750 8.197 -0.447 26536
59 1 5 . 1 1 10 10 PHE HA H 10 4.500 4.500 3.665 0.835 26536
60 1 5 . 1 1 10 10 PHE H H 10 7.720 7.720 7.678 0.042 26536
61 1 6 . 1 1 4 4 GLY H H 4 8.110 8.110 8.305 -0.195 26536
62 1 6 . 1 1 5 5 THR HA H 5 4.260 4.260 3.914 0.346 26536
63 1 6 . 1 1 5 5 THR H H 5 7.820 7.820 7.464 0.356 26536
64 1 6 . 1 1 6 6 PHE H H 6 8.550 8.550 8.831 -0.281 26536
65 1 6 . 1 1 7 7 THR HA H 7 4.040 4.040 3.584 0.456 26536
66 1 6 . 1 1 7 7 THR H H 7 7.640 7.640 7.609 0.031 26536
67 1 6 . 1 1 8 8 SER HA H 8 4.170 4.170 4.549 -0.379 26536
68 1 6 . 1 1 8 8 SER H H 8 7.890 7.890 8.239 -0.349 26536
69 1 6 . 1 1 9 9 ASP HA H 9 4.340 4.340 4.568 -0.228 26536
70 1 6 . 1 1 9 9 ASP H H 9 7.750 7.750 8.489 -0.739 26536
71 1 6 . 1 1 10 10 PHE HA H 10 4.500 4.500 3.991 0.509 26536
72 1 6 . 1 1 10 10 PHE H H 10 7.720 7.720 8.009 -0.289 26536
73 1 7 . 1 1 4 4 GLY H H 4 8.110 8.110 8.237 -0.127 26536
74 1 7 . 1 1 5 5 THR HA H 5 4.260 4.260 3.897 0.363 26536
75 1 7 . 1 1 5 5 THR H H 5 7.820 7.820 7.338 0.482 26536
76 1 7 . 1 1 6 6 PHE H H 6 8.550 8.550 8.771 -0.221 26536
77 1 7 . 1 1 7 7 THR HA H 7 4.040 4.040 3.625 0.415 26536
78 1 7 . 1 1 7 7 THR H H 7 7.640 7.640 7.562 0.078 26536
79 1 7 . 1 1 8 8 SER HA H 8 4.170 4.170 4.231 -0.061 26536
80 1 7 . 1 1 8 8 SER H H 8 7.890 7.890 7.971 -0.081 26536
81 1 7 . 1 1 9 9 ASP HA H 9 4.340 4.340 4.450 -0.110 26536
82 1 7 . 1 1 9 9 ASP H H 9 7.750 7.750 8.186 -0.436 26536
83 1 7 . 1 1 10 10 PHE HA H 10 4.500 4.500 3.784 0.716 26536
84 1 7 . 1 1 10 10 PHE H H 10 7.720 7.720 7.748 -0.028 26536
85 1 8 . 1 1 4 4 GLY H H 4 8.110 8.110 8.090 0.020 26536
86 1 8 . 1 1 5 5 THR HA H 5 4.260 4.260 3.811 0.449 26536
87 1 8 . 1 1 5 5 THR H H 5 7.820 7.820 7.569 0.251 26536
88 1 8 . 1 1 6 6 PHE H H 6 8.550 8.550 8.666 -0.116 26536
89 1 8 . 1 1 7 7 THR HA H 7 4.040 4.040 4.171 -0.131 26536
90 1 8 . 1 1 7 7 THR H H 7 7.640 7.640 7.828 -0.188 26536
91 1 8 . 1 1 8 8 SER HA H 8 4.170 4.170 4.432 -0.262 26536
92 1 8 . 1 1 8 8 SER H H 8 7.890 7.890 7.955 -0.065 26536
93 1 8 . 1 1 9 9 ASP HA H 9 4.340 4.340 4.304 0.036 26536
94 1 8 . 1 1 9 9 ASP H H 9 7.750 7.750 7.336 0.414 26536
95 1 8 . 1 1 10 10 PHE HA H 10 4.500 4.500 4.311 0.189 26536
96 1 8 . 1 1 10 10 PHE H H 10 7.720 7.720 7.446 0.274 26536
97 1 9 . 1 1 4 4 GLY H H 4 8.110 8.110 8.101 0.009 26536
98 1 9 . 1 1 5 5 THR HA H 5 4.260 4.260 3.941 0.319 26536
99 1 9 . 1 1 5 5 THR H H 5 7.820 7.820 7.399 0.421 26536
100 1 9 . 1 1 6 6 PHE H H 6 8.550 8.550 8.850 -0.300 26536
101 1 9 . 1 1 7 7 THR HA H 7 4.040 4.040 3.872 0.168 26536
102 1 9 . 1 1 7 7 THR H H 7 7.640 7.640 7.676 -0.036 26536
103 1 9 . 1 1 8 8 SER HA H 8 4.170 4.170 4.102 0.068 26536
104 1 9 . 1 1 8 8 SER H H 8 7.890 7.890 7.927 -0.037 26536
105 1 9 . 1 1 9 9 ASP HA H 9 4.340 4.340 4.268 0.072 26536
106 1 9 . 1 1 9 9 ASP H H 9 7.750 7.750 7.973 -0.223 26536
107 1 9 . 1 1 10 10 PHE HA H 10 4.500 4.500 3.688 0.812 26536
108 1 9 . 1 1 10 10 PHE H H 10 7.720 7.720 7.564 0.156 26536
109 1 10 . 1 1 4 4 GLY H H 4 8.110 8.110 8.290 -0.180 26536
110 1 10 . 1 1 5 5 THR HA H 5 4.260 4.260 3.906 0.354 26536
111 1 10 . 1 1 5 5 THR H H 5 7.820 7.820 7.627 0.193 26536
112 1 10 . 1 1 6 6 PHE H H 6 8.550 8.550 8.595 -0.045 26536
113 1 10 . 1 1 7 7 THR HA H 7 4.040 4.040 3.942 0.098 26536
114 1 10 . 1 1 7 7 THR H H 7 7.640 7.640 8.025 -0.385 26536
115 1 10 . 1 1 8 8 SER HA H 8 4.170 4.170 4.344 -0.174 26536
116 1 10 . 1 1 8 8 SER H H 8 7.890 7.890 7.941 -0.051 26536
117 1 10 . 1 1 9 9 ASP HA H 9 4.340 4.340 4.501 -0.161 26536
118 1 10 . 1 1 9 9 ASP H H 9 7.750 7.750 7.579 0.171 26536
119 1 10 . 1 1 10 10 PHE HA H 10 4.500 4.500 3.787 0.713 26536
120 1 10 . 1 1 10 10 PHE H H 10 7.720 7.720 7.373 0.347 26536
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 26536
2 1 1 "Average Difference" HA 7 0.573 0.008 0.618 26536
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 26536
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 26536
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 26536
6 1 1 "Average Difference" HN 7 0.260 0.061 0.273 26536
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 26536
8 1 2 "Average Difference" HA 7 0.311 -0.165 0.285 26536
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 26536
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 26536
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 26536
12 1 2 "Average Difference" HN 7 0.223 0.007 0.241 26536
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 26536
14 1 3 "Average Difference" HA 7 0.234 -0.030 0.250 26536
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 26536
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 26536
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 26536
18 1 3 "Average Difference" HN 7 0.384 0.260 0.305 26536
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 26536
20 1 4 "Average Difference" HA 7 0.177 -0.127 0.134 26536
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 26536
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 26536
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 26536
24 1 4 "Average Difference" HN 7 0.375 0.106 0.389 26536
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 26536
26 1 5 "Average Difference" HA 7 0.348 -0.163 0.332 26536
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 26536
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 26536
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 26536
30 1 5 "Average Difference" HN 7 0.276 0.090 0.282 26536
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 26536
32 1 6 "Average Difference" HA 7 0.337 -0.076 0.355 26536
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 26536
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 26536
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 26536
36 1 6 "Average Difference" HN 7 0.377 0.209 0.339 26536
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 26536
38 1 7 "Average Difference" HA 7 0.346 -0.203 0.303 26536
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 26536
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 26536
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 26536
42 1 7 "Average Difference" HN 7 0.267 0.048 0.284 26536
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 26536
44 1 8 "Average Difference" HA 7 0.219 -0.060 0.227 26536
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 26536
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 26536
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 26536
48 1 8 "Average Difference" HN 7 0.228 -0.084 0.228 26536
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 26536
50 1 9 "Average Difference" HA 7 0.339 -0.195 0.299 26536
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 26536
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 26536
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 26536
54 1 9 "Average Difference" HN 7 0.222 0.001 0.239 26536
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 26536
56 1 10 "Average Difference" HA 7 0.317 -0.125 0.314 26536
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 26536
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 26536
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 26536
60 1 10 "Average Difference" HN 7 0.231 -0.007 0.249 26536
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 26536
_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 4 4 GLY H H 4 8.110 8.110 8.131 -0.020 26536
2 1 . 1 1 5 5 THR HA H 5 4.260 4.260 3.913 0.347 26536
3 1 . 1 1 5 5 THR H H 5 7.820 7.820 7.507 0.313 26536
4 1 . 1 1 6 6 PHE H H 6 8.550 8.550 8.760 -0.210 26536
5 1 . 1 1 7 7 THR HA H 7 4.040 4.040 3.829 0.211 26536
6 1 . 1 1 7 7 THR H H 7 7.640 7.640 7.915 -0.275 26536
7 1 . 1 1 8 8 SER HA H 8 4.170 4.170 4.349 -0.179 26536
8 1 . 1 1 8 8 SER H H 8 7.890 7.890 7.973 -0.083 26536
9 1 . 1 1 9 9 ASP HA H 9 4.340 4.340 4.451 -0.111 26536
10 1 . 1 1 9 9 ASP H H 9 7.750 7.750 8.014 -0.264 26536
11 1 . 1 1 10 10 PHE HA H 10 4.500 4.500 3.926 0.574 26536
12 1 . 1 1 10 10 PHE H H 10 7.720 7.720 7.663 0.057 26536
stop_
save_