data_19130
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19130
_Entry.PDB_ID 2M6E
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 19130
_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 CYS HA H 2 4.769 4.769 4.839 -0.070 19130
2 1 1 . 1 1 2 2 CYS H H 2 8.438 8.438 8.426 0.012 19130
3 1 1 . 1 1 6 6 PRO HA H 6 3.167 3.167 3.406 -0.239 19130
4 1 1 . 1 1 6 6 PRO CA C 6 61.440 61.440 62.532 -1.092 19130
5 1 1 . 1 1 6 6 PRO CB C 6 31.459 31.459 31.189 0.270 19130
6 1 1 . 1 1 7 7 TRP HA H 7 4.548 4.548 4.603 -0.055 19130
7 1 1 . 1 1 7 7 TRP H H 7 8.425 8.425 7.611 0.814 19130
8 1 2 . 1 1 2 2 CYS HA H 2 4.769 4.769 4.837 -0.068 19130
9 1 2 . 1 1 2 2 CYS H H 2 8.438 8.438 8.518 -0.080 19130
10 1 2 . 1 1 6 6 PRO HA H 6 3.167 3.167 3.407 -0.240 19130
11 1 2 . 1 1 6 6 PRO CA C 6 61.440 61.440 62.534 -1.094 19130
12 1 2 . 1 1 6 6 PRO CB C 6 31.459 31.459 31.189 0.270 19130
13 1 2 . 1 1 7 7 TRP HA H 7 4.548 4.548 4.603 -0.055 19130
14 1 2 . 1 1 7 7 TRP H H 7 8.425 8.425 7.611 0.814 19130
15 1 3 . 1 1 2 2 CYS HA H 2 4.769 4.769 4.839 -0.070 19130
16 1 3 . 1 1 2 2 CYS H H 2 8.438 8.438 8.517 -0.079 19130
17 1 3 . 1 1 6 6 PRO HA H 6 3.167 3.167 3.406 -0.239 19130
18 1 3 . 1 1 6 6 PRO CA C 6 61.440 61.440 62.535 -1.095 19130
19 1 3 . 1 1 6 6 PRO CB C 6 31.459 31.459 31.189 0.270 19130
20 1 3 . 1 1 7 7 TRP HA H 7 4.548 4.548 4.602 -0.054 19130
21 1 3 . 1 1 7 7 TRP H H 7 8.425 8.425 7.610 0.815 19130
22 1 4 . 1 1 2 2 CYS HA H 2 4.769 4.769 4.834 -0.065 19130
23 1 4 . 1 1 2 2 CYS H H 2 8.438 8.438 8.525 -0.087 19130
24 1 4 . 1 1 6 6 PRO HA H 6 3.167 3.167 3.407 -0.240 19130
25 1 4 . 1 1 6 6 PRO CA C 6 61.440 61.440 62.536 -1.096 19130
26 1 4 . 1 1 6 6 PRO CB C 6 31.459 31.459 31.191 0.268 19130
27 1 4 . 1 1 7 7 TRP HA H 7 4.548 4.548 4.602 -0.054 19130
28 1 4 . 1 1 7 7 TRP H H 7 8.425 8.425 7.611 0.814 19130
29 1 5 . 1 1 2 2 CYS HA H 2 4.769 4.769 4.836 -0.067 19130
30 1 5 . 1 1 2 2 CYS H H 2 8.438 8.438 8.535 -0.097 19130
31 1 5 . 1 1 6 6 PRO HA H 6 3.167 3.167 3.406 -0.239 19130
32 1 5 . 1 1 6 6 PRO CA C 6 61.440 61.440 62.535 -1.095 19130
33 1 5 . 1 1 6 6 PRO CB C 6 31.459 31.459 31.189 0.269 19130
34 1 5 . 1 1 7 7 TRP HA H 7 4.548 4.548 4.603 -0.055 19130
35 1 5 . 1 1 7 7 TRP H H 7 8.425 8.425 7.611 0.814 19130
36 1 6 . 1 1 2 2 CYS HA H 2 4.769 4.769 4.842 -0.073 19130
37 1 6 . 1 1 2 2 CYS H H 2 8.438 8.438 8.453 -0.015 19130
38 1 6 . 1 1 6 6 PRO HA H 6 3.167 3.167 3.402 -0.235 19130
39 1 6 . 1 1 6 6 PRO CA C 6 61.440 61.440 62.536 -1.096 19130
40 1 6 . 1 1 6 6 PRO CB C 6 31.459 31.459 31.190 0.269 19130
41 1 6 . 1 1 7 7 TRP HA H 7 4.548 4.548 4.602 -0.054 19130
42 1 6 . 1 1 7 7 TRP H H 7 8.425 8.425 7.611 0.814 19130
43 1 7 . 1 1 2 2 CYS HA H 2 4.769 4.769 4.845 -0.076 19130
44 1 7 . 1 1 2 2 CYS H H 2 8.438 8.438 8.544 -0.106 19130
45 1 7 . 1 1 6 6 PRO HA H 6 3.167 3.167 3.403 -0.236 19130
46 1 7 . 1 1 6 6 PRO CA C 6 61.440 61.440 62.536 -1.096 19130
47 1 7 . 1 1 6 6 PRO CB C 6 31.459 31.459 31.190 0.269 19130
48 1 7 . 1 1 7 7 TRP HA H 7 4.548 4.548 4.602 -0.054 19130
49 1 7 . 1 1 7 7 TRP H H 7 8.425 8.425 7.611 0.814 19130
50 1 8 . 1 1 2 2 CYS HA H 2 4.769 4.769 4.853 -0.084 19130
51 1 8 . 1 1 2 2 CYS H H 2 8.438 8.438 8.439 -0.001 19130
52 1 8 . 1 1 6 6 PRO HA H 6 3.167 3.167 3.639 -0.472 19130
53 1 8 . 1 1 6 6 PRO CA C 6 61.440 61.440 62.937 -1.497 19130
54 1 8 . 1 1 6 6 PRO CB C 6 31.459 31.459 32.105 -0.646 19130
55 1 8 . 1 1 7 7 TRP HA H 7 4.548 4.548 4.557 -0.009 19130
56 1 8 . 1 1 7 7 TRP H H 7 8.425 8.425 8.325 0.100 19130
57 1 9 . 1 1 2 2 CYS HA H 2 4.769 4.769 4.847 -0.078 19130
58 1 9 . 1 1 2 2 CYS H H 2 8.438 8.438 8.434 0.004 19130
59 1 9 . 1 1 6 6 PRO HA H 6 3.167 3.167 3.640 -0.473 19130
60 1 9 . 1 1 6 6 PRO CA C 6 61.440 61.440 62.936 -1.496 19130
61 1 9 . 1 1 6 6 PRO CB C 6 31.459 31.459 32.105 -0.646 19130
62 1 9 . 1 1 7 7 TRP HA H 7 4.548 4.548 4.557 -0.009 19130
63 1 9 . 1 1 7 7 TRP H H 7 8.425 8.425 8.326 0.099 19130
64 1 10 . 1 1 2 2 CYS HA H 2 4.769 4.769 4.850 -0.081 19130
65 1 10 . 1 1 2 2 CYS H H 2 8.438 8.438 8.408 0.030 19130
66 1 10 . 1 1 6 6 PRO HA H 6 3.167 3.167 3.639 -0.472 19130
67 1 10 . 1 1 6 6 PRO CA C 6 61.440 61.440 62.936 -1.496 19130
68 1 10 . 1 1 6 6 PRO CB C 6 31.459 31.459 32.106 -0.647 19130
69 1 10 . 1 1 7 7 TRP HA H 7 4.548 4.548 4.557 -0.009 19130
70 1 10 . 1 1 7 7 TRP H H 7 8.425 8.425 8.326 0.099 19130
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 19130
2 1 1 "Average Difference" HA 3 0.147 0.121 0.102 19130
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19130
4 1 1 "Average Difference" CA 1 1.092 1.092 0.000 19130
5 1 1 "Average Difference" CB 1 0.270 -0.270 0.000 19130
6 1 1 "Average Difference" HN 2 0.576 -0.413 0.567 19130
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19130
8 1 2 "Average Difference" HA 3 0.147 0.121 0.103 19130
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19130
10 1 2 "Average Difference" CA 1 1.094 1.094 0.000 19130
11 1 2 "Average Difference" CB 1 0.270 -0.270 0.000 19130
12 1 2 "Average Difference" HN 2 0.578 -0.367 0.632 19130
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19130
14 1 3 "Average Difference" HA 3 0.147 0.121 0.102 19130
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19130
16 1 3 "Average Difference" CA 1 1.095 1.095 0.000 19130
17 1 3 "Average Difference" CB 1 0.270 -0.270 0.000 19130
18 1 3 "Average Difference" HN 2 0.579 -0.368 0.632 19130
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19130
20 1 4 "Average Difference" HA 3 0.147 0.120 0.104 19130
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19130
22 1 4 "Average Difference" CA 1 1.096 1.096 0.000 19130
23 1 4 "Average Difference" CB 1 0.268 -0.268 0.000 19130
24 1 4 "Average Difference" HN 2 0.579 -0.364 0.637 19130
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19130
26 1 5 "Average Difference" HA 3 0.147 0.120 0.103 19130
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19130
28 1 5 "Average Difference" CA 1 1.095 1.095 0.000 19130
29 1 5 "Average Difference" CB 1 0.269 -0.269 0.000 19130
30 1 5 "Average Difference" HN 2 0.580 -0.359 0.644 19130
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19130
32 1 6 "Average Difference" HA 3 0.145 0.121 0.099 19130
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19130
34 1 6 "Average Difference" CA 1 1.096 1.096 0.000 19130
35 1 6 "Average Difference" CB 1 0.269 -0.269 0.000 19130
36 1 6 "Average Difference" HN 2 0.576 -0.400 0.586 19130
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19130
38 1 7 "Average Difference" HA 3 0.146 0.122 0.099 19130
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19130
40 1 7 "Average Difference" CA 1 1.096 1.096 0.000 19130
41 1 7 "Average Difference" CB 1 0.269 -0.269 0.000 19130
42 1 7 "Average Difference" HN 2 0.580 -0.354 0.650 19130
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19130
44 1 8 "Average Difference" HA 3 0.277 0.188 0.249 19130
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19130
46 1 8 "Average Difference" CA 1 1.497 1.497 0.000 19130
47 1 8 "Average Difference" CB 1 0.646 0.646 0.000 19130
48 1 8 "Average Difference" HN 2 0.070 -0.049 0.071 19130
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19130
50 1 9 "Average Difference" HA 3 0.277 0.187 0.250 19130
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19130
52 1 9 "Average Difference" CA 1 1.496 1.496 0.000 19130
53 1 9 "Average Difference" CB 1 0.646 0.646 0.000 19130
54 1 9 "Average Difference" HN 2 0.070 -0.052 0.067 19130
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19130
56 1 10 "Average Difference" HA 3 0.276 0.187 0.249 19130
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19130
58 1 10 "Average Difference" CA 1 1.496 1.496 0.000 19130
59 1 10 "Average Difference" CB 1 0.647 0.647 0.000 19130
60 1 10 "Average Difference" HN 2 0.073 -0.064 0.049 19130
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 19130
_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 CYS HA H 2 4.769 4.769 4.842 -0.073 19130
2 1 . 1 1 2 2 CYS H H 2 8.438 8.438 8.480 -0.042 19130
3 1 . 1 1 6 6 PRO HA H 6 3.167 3.167 3.476 -0.308 19130
4 1 . 1 1 6 6 PRO CA C 6 61.440 61.440 62.655 -1.215 19130
5 1 . 1 1 6 6 PRO CB C 6 31.459 31.459 31.464 -0.005 19130
6 1 . 1 1 7 7 TRP HA H 7 4.548 4.548 4.589 -0.041 19130
7 1 . 1 1 7 7 TRP H H 7 8.425 8.425 7.825 0.600 19130
stop_
save_