data_25764
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25764
_Entry.PDB_ID 2N6H
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 25764
_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 ARG HA H 2 4.258 4.258 4.952 -0.694 25764
2 1 1 . 1 1 2 2 ARG H H 2 8.402 8.402 8.509 -0.107 25764
3 1 1 . 1 1 3 3 PHE HA H 3 4.573 4.573 4.464 0.109 25764
4 1 1 . 1 1 3 3 PHE H H 3 8.284 8.284 8.278 0.006 25764
5 1 1 . 1 1 4 4 TYR HA H 4 4.708 4.708 4.247 0.461 25764
6 1 1 . 1 1 4 4 TYR H H 4 8.190 8.190 7.242 0.948 25764
7 1 1 . 1 1 5 5 GLU HA H 5 4.400 4.400 4.525 -0.125 25764
8 1 1 . 1 1 5 5 GLU H H 5 8.405 8.405 8.621 -0.216 25764
9 1 2 . 1 1 2 2 ARG HA H 2 4.258 4.258 4.376 -0.118 25764
10 1 2 . 1 1 2 2 ARG H H 2 8.402 8.402 8.196 0.206 25764
11 1 2 . 1 1 3 3 PHE HA H 3 4.573 4.573 4.078 0.495 25764
12 1 2 . 1 1 3 3 PHE H H 3 8.284 8.284 8.242 0.042 25764
13 1 2 . 1 1 4 4 TYR HA H 4 4.708 4.708 4.897 -0.189 25764
14 1 2 . 1 1 4 4 TYR H H 4 8.190 8.190 7.016 1.174 25764
15 1 2 . 1 1 5 5 GLU HA H 5 4.400 4.400 3.980 0.420 25764
16 1 2 . 1 1 5 5 GLU H H 5 8.405 8.405 9.016 -0.611 25764
17 1 3 . 1 1 2 2 ARG HA H 2 4.258 4.258 4.869 -0.611 25764
18 1 3 . 1 1 2 2 ARG H H 2 8.402 8.402 8.476 -0.074 25764
19 1 3 . 1 1 3 3 PHE HA H 3 4.573 4.573 4.203 0.370 25764
20 1 3 . 1 1 3 3 PHE H H 3 8.284 8.284 8.723 -0.439 25764
21 1 3 . 1 1 4 4 TYR HA H 4 4.708 4.708 4.192 0.516 25764
22 1 3 . 1 1 4 4 TYR H H 4 8.190 8.190 7.389 0.801 25764
23 1 3 . 1 1 5 5 GLU HA H 5 4.400 4.400 4.508 -0.108 25764
24 1 3 . 1 1 5 5 GLU H H 5 8.405 8.405 8.654 -0.249 25764
25 1 4 . 1 1 2 2 ARG HA H 2 4.258 4.258 4.347 -0.089 25764
26 1 4 . 1 1 2 2 ARG H H 2 8.402 8.402 8.774 -0.372 25764
27 1 4 . 1 1 3 3 PHE HA H 3 4.573 4.573 4.084 0.489 25764
28 1 4 . 1 1 3 3 PHE H H 3 8.284 8.284 7.838 0.446 25764
29 1 4 . 1 1 4 4 TYR HA H 4 4.708 4.708 4.760 -0.052 25764
30 1 4 . 1 1 4 4 TYR H H 4 8.190 8.190 7.144 1.046 25764
31 1 4 . 1 1 5 5 GLU HA H 5 4.400 4.400 3.774 0.626 25764
32 1 4 . 1 1 5 5 GLU H H 5 8.405 8.405 8.868 -0.463 25764
33 1 5 . 1 1 2 2 ARG HA H 2 4.258 4.258 4.172 0.086 25764
34 1 5 . 1 1 2 2 ARG H H 2 8.402 8.402 8.545 -0.143 25764
35 1 5 . 1 1 3 3 PHE HA H 3 4.573 4.573 4.293 0.280 25764
36 1 5 . 1 1 3 3 PHE H H 3 8.284 8.284 8.134 0.150 25764
37 1 5 . 1 1 4 4 TYR HA H 4 4.708 4.708 4.532 0.176 25764
38 1 5 . 1 1 4 4 TYR H H 4 8.190 8.190 7.983 0.207 25764
39 1 5 . 1 1 5 5 GLU HA H 5 4.400 4.400 3.715 0.685 25764
40 1 5 . 1 1 5 5 GLU H H 5 8.405 8.405 8.147 0.258 25764
41 1 6 . 1 1 2 2 ARG HA H 2 4.258 4.258 4.533 -0.275 25764
42 1 6 . 1 1 2 2 ARG H H 2 8.402 8.402 8.727 -0.325 25764
43 1 6 . 1 1 3 3 PHE HA H 3 4.573 4.573 4.213 0.360 25764
44 1 6 . 1 1 3 3 PHE H H 3 8.284 8.284 8.103 0.181 25764
45 1 6 . 1 1 4 4 TYR HA H 4 4.708 4.708 4.435 0.273 25764
46 1 6 . 1 1 4 4 TYR H H 4 8.190 8.190 8.088 0.102 25764
47 1 6 . 1 1 5 5 GLU HA H 5 4.400 4.400 4.277 0.123 25764
48 1 6 . 1 1 5 5 GLU H H 5 8.405 8.405 8.231 0.174 25764
49 1 7 . 1 1 2 2 ARG HA H 2 4.258 4.258 4.414 -0.156 25764
50 1 7 . 1 1 2 2 ARG H H 2 8.402 8.402 8.478 -0.076 25764
51 1 7 . 1 1 3 3 PHE HA H 3 4.573 4.573 4.175 0.398 25764
52 1 7 . 1 1 3 3 PHE H H 3 8.284 8.284 7.789 0.495 25764
53 1 7 . 1 1 4 4 TYR HA H 4 4.708 4.708 4.712 -0.004 25764
54 1 7 . 1 1 4 4 TYR H H 4 8.190 8.190 7.823 0.367 25764
55 1 7 . 1 1 5 5 GLU HA H 5 4.400 4.400 4.767 -0.367 25764
56 1 7 . 1 1 5 5 GLU H H 5 8.405 8.405 8.981 -0.576 25764
57 1 8 . 1 1 2 2 ARG HA H 2 4.258 4.258 4.600 -0.342 25764
58 1 8 . 1 1 2 2 ARG H H 2 8.402 8.402 8.620 -0.218 25764
59 1 8 . 1 1 3 3 PHE HA H 3 4.573 4.573 4.556 0.017 25764
60 1 8 . 1 1 3 3 PHE H H 3 8.284 8.284 8.765 -0.481 25764
61 1 8 . 1 1 4 4 TYR HA H 4 4.708 4.708 4.359 0.349 25764
62 1 8 . 1 1 4 4 TYR H H 4 8.190 8.190 7.578 0.612 25764
63 1 8 . 1 1 5 5 GLU HA H 5 4.400 4.400 4.632 -0.232 25764
64 1 8 . 1 1 5 5 GLU H H 5 8.405 8.405 8.586 -0.181 25764
65 1 9 . 1 1 2 2 ARG HA H 2 4.258 4.258 4.645 -0.387 25764
66 1 9 . 1 1 2 2 ARG H H 2 8.402 8.402 8.191 0.211 25764
67 1 9 . 1 1 3 3 PHE HA H 3 4.573 4.573 4.474 0.099 25764
68 1 9 . 1 1 3 3 PHE H H 3 8.284 8.284 8.752 -0.468 25764
69 1 9 . 1 1 4 4 TYR HA H 4 4.708 4.708 4.666 0.042 25764
70 1 9 . 1 1 4 4 TYR H H 4 8.190 8.190 7.529 0.661 25764
71 1 9 . 1 1 5 5 GLU HA H 5 4.400 4.400 4.558 -0.158 25764
72 1 9 . 1 1 5 5 GLU H H 5 8.405 8.405 8.753 -0.348 25764
73 1 10 . 1 1 2 2 ARG HA H 2 4.258 4.258 4.580 -0.322 25764
74 1 10 . 1 1 2 2 ARG H H 2 8.402 8.402 8.140 0.262 25764
75 1 10 . 1 1 3 3 PHE HA H 3 4.573 4.573 4.282 0.291 25764
76 1 10 . 1 1 3 3 PHE H H 3 8.284 8.284 7.842 0.442 25764
77 1 10 . 1 1 4 4 TYR HA H 4 4.708 4.708 4.310 0.398 25764
78 1 10 . 1 1 4 4 TYR H H 4 8.190 8.190 7.133 1.057 25764
79 1 10 . 1 1 5 5 GLU HA H 5 4.400 4.400 4.412 -0.012 25764
80 1 10 . 1 1 5 5 GLU H H 5 8.405 8.405 8.544 -0.139 25764
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 25764
2 1 1 "Average Difference" HA 4 0.425 0.062 0.485 25764
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25764
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25764
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25764
6 1 1 "Average Difference" HN 4 0.489 -0.158 0.535 25764
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25764
8 1 2 "Average Difference" HA 4 0.343 -0.152 0.355 25764
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25764
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25764
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25764
12 1 2 "Average Difference" HN 4 0.670 -0.203 0.737 25764
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25764
14 1 3 "Average Difference" HA 4 0.444 -0.042 0.511 25764
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25764
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25764
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25764
18 1 3 "Average Difference" HN 4 0.475 -0.010 0.548 25764
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25764
20 1 4 "Average Difference" HA 4 0.400 -0.243 0.367 25764
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25764
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25764
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25764
24 1 4 "Average Difference" HN 4 0.642 -0.164 0.716 25764
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25764
26 1 5 "Average Difference" HA 4 0.382 -0.306 0.264 25764
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25764
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25764
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25764
30 1 5 "Average Difference" HN 4 0.195 -0.118 0.179 25764
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25764
32 1 6 "Average Difference" HA 4 0.272 -0.120 0.281 25764
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25764
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25764
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25764
36 1 6 "Average Difference" HN 4 0.211 -0.033 0.241 25764
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25764
38 1 7 "Average Difference" HA 4 0.281 0.032 0.323 25764
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25764
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25764
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25764
42 1 7 "Average Difference" HN 4 0.423 -0.053 0.485 25764
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25764
44 1 8 "Average Difference" HA 4 0.271 0.052 0.307 25764
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25764
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25764
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25764
48 1 8 "Average Difference" HN 4 0.414 0.067 0.472 25764
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25764
50 1 9 "Average Difference" HA 4 0.216 0.101 0.220 25764
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25764
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25764
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25764
54 1 9 "Average Difference" HN 4 0.453 -0.014 0.523 25764
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25764
56 1 10 "Average Difference" HA 4 0.294 -0.089 0.324 25764
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25764
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25764
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25764
60 1 10 "Average Difference" HN 4 0.592 -0.406 0.498 25764
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 25764
_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 ARG HA H 2 4.258 4.258 4.549 -0.291 25764
2 1 . 1 1 2 2 ARG H H 2 8.402 8.402 8.466 -0.064 25764
3 1 . 1 1 3 3 PHE HA H 3 4.573 4.573 4.282 0.291 25764
4 1 . 1 1 3 3 PHE H H 3 8.284 8.284 8.247 0.037 25764
5 1 . 1 1 4 4 TYR HA H 4 4.708 4.708 4.511 0.197 25764
6 1 . 1 1 4 4 TYR H H 4 8.190 8.190 7.492 0.698 25764
7 1 . 1 1 5 5 GLU HA H 5 4.400 4.400 4.315 0.085 25764
8 1 . 1 1 5 5 GLU H H 5 8.405 8.405 8.640 -0.235 25764
stop_
save_